smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1ccn2cc[nH+]c2c1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000178058874 837706134 /nfs/dbraw/zinc/70/61/34/837706134.db2.gz MNYNAZRTRNIANT-UHFFFAOYSA-N 1 2 376.460 3.783 50 0 GHAALO CC(C)(C)c1nnc(C[NH+]2CCC([C@H]3CCCCCN3C(=O)C3CC3)CC2)o1 ZINC000069813479 857075551 /nfs/dbraw/zinc/07/55/51/857075551.db2.gz ZXIAFUFCWPYCSO-GOSISDBHSA-N 1 2 388.556 3.760 50 0 GHAALO CCc1csc([C@@H]2CCCN(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000172256133 863385210 /nfs/dbraw/zinc/38/52/10/863385210.db2.gz GEXNLGOKVLCHNR-QGZVFWFLSA-N 1 2 395.532 3.980 50 0 GHAALO CC(C)C(=O)N1CCC([N@@H+]2C[C@H](Oc3ccccc3)[C@@H]2c2ccncc2)CC1 ZINC000581812787 870021293 /nfs/dbraw/zinc/02/12/93/870021293.db2.gz XMQCMVZDPQSRRF-VXKWHMMOSA-N 1 2 379.504 3.533 50 0 GHAALO CC(C)C(=O)N1CCC([N@H+]2C[C@H](Oc3ccccc3)[C@@H]2c2ccncc2)CC1 ZINC000581812787 870021309 /nfs/dbraw/zinc/02/13/09/870021309.db2.gz XMQCMVZDPQSRRF-VXKWHMMOSA-N 1 2 379.504 3.533 50 0 GHAALO COc1cccc(CC(=O)N2CCC[C@@H](n3c(C)c[nH+]c3-c3cccnc3)C2)c1 ZINC000581806014 870027636 /nfs/dbraw/zinc/02/76/36/870027636.db2.gz JTLGQZNQVMYOKQ-HXUWFJFHSA-N 1 2 390.487 3.668 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@@H]1CCCN(C(=O)COCc2ccccc2)C1 ZINC000581806281 870028819 /nfs/dbraw/zinc/02/88/19/870028819.db2.gz OEQLWLZOJNAQOX-OAQYLSRUSA-N 1 2 390.487 3.634 50 0 GHAALO Cc1c[nH+]c(-c2ccncc2)n1C[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000581808086 870038320 /nfs/dbraw/zinc/03/83/20/870038320.db2.gz PNVLCZROSNETSB-LJQANCHMSA-N 1 2 390.487 3.571 50 0 GHAALO Cc1c[nH+]c([C@@H]2CCN(C(=O)NCCc3ccccc3)C2)n1Cc1ccccc1 ZINC000581815954 870045067 /nfs/dbraw/zinc/04/50/67/870045067.db2.gz KZYZCTHVDFEVSD-JOCHJYFZSA-N 1 2 388.515 3.981 50 0 GHAALO CNC(=O)c1cccc(NC(=O)[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)c1C ZINC000952978834 904657936 /nfs/dbraw/zinc/65/79/36/904657936.db2.gz SCGBVEVYXOCIPH-FQEVSTJZSA-N 1 2 383.467 3.659 50 0 GHAALO CCCC[C@@H](c1cccnc1)N(C)C(=O)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000952979799 904659202 /nfs/dbraw/zinc/65/92/02/904659202.db2.gz OMIUXLJVTJGETN-QHCPKHFHSA-N 1 2 394.563 3.902 50 0 GHAALO COCC(=O)Nc1ccc(NC(=O)[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000952984366 904669665 /nfs/dbraw/zinc/66/96/65/904669665.db2.gz UFGJITDGHKEZTH-NRFANRHFSA-N 1 2 399.466 3.576 50 0 GHAALO O=C(C1=Cc2cc(Cl)ccc2OC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096925390 915200000 /nfs/dbraw/zinc/20/00/00/915200000.db2.gz DTYDPBMLHSXNGJ-DAXSKMNVSA-N 1 2 394.902 3.973 50 0 GHAALO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CCO[C@@H](c2cccs2)C1 ZINC000134967358 928153557 /nfs/dbraw/zinc/15/35/57/928153557.db2.gz GCSNQJQZDSSLPR-GOSISDBHSA-N 1 2 398.488 3.629 50 0 GHAALO CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)C[NH+]1CCCCC1 ZINC000004746995 204073700 /nfs/dbraw/zinc/07/37/00/204073700.db2.gz VRXJWSOEZTVMDO-UHFFFAOYSA-N 1 2 376.478 3.918 50 0 GHAALO CCOC(=O)C1(c2ccccc2)CC[NH+](CC(=O)Nc2ccc(C)cc2)CC1 ZINC000004474859 204045834 /nfs/dbraw/zinc/04/58/34/204045834.db2.gz QXVOMKZKRFFDAG-UHFFFAOYSA-N 1 2 380.488 3.530 50 0 GHAALO COC(=O)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1 ZINC000004554105 204051944 /nfs/dbraw/zinc/05/19/44/204051944.db2.gz OWUQDERAXHSTTC-QGZVFWFLSA-N 1 2 385.489 3.730 50 0 GHAALO COC(=O)c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc1 ZINC000004554105 204051947 /nfs/dbraw/zinc/05/19/47/204051947.db2.gz OWUQDERAXHSTTC-QGZVFWFLSA-N 1 2 385.489 3.730 50 0 GHAALO Cc1cccc(N2CC[NH+](Cc3n[nH]c(=S)n3-c3ccccc3)CC2)c1C ZINC000004982052 204099724 /nfs/dbraw/zinc/09/97/24/204099724.db2.gz DRCWWGWWRKZTMA-UHFFFAOYSA-N 1 2 379.533 3.869 50 0 GHAALO C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050194 204231198 /nfs/dbraw/zinc/23/11/98/204231198.db2.gz NXDHQMBAHLKIRX-CYBMUJFWSA-N 1 2 395.406 3.931 50 0 GHAALO CC(C)[C@H](C)[NH+](CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cccc(F)c1 ZINC000008772403 204290289 /nfs/dbraw/zinc/29/02/89/204290289.db2.gz YFRDCYHRSHJVMD-HNNXBMFYSA-N 1 2 389.446 3.889 50 0 GHAALO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310285 204270933 /nfs/dbraw/zinc/27/09/33/204270933.db2.gz OFQVQDHKDWCVDO-FQEVSTJZSA-N 1 2 394.471 3.826 50 0 GHAALO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310285 204270938 /nfs/dbraw/zinc/27/09/38/204270938.db2.gz OFQVQDHKDWCVDO-FQEVSTJZSA-N 1 2 394.471 3.826 50 0 GHAALO Cc1c[nH]c(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)[nH+]1 ZINC000011663605 204348584 /nfs/dbraw/zinc/34/85/84/204348584.db2.gz PZTJHFALBYHKAA-SFHVURJKSA-N 1 2 377.444 3.627 50 0 GHAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 ZINC000011817950 204353763 /nfs/dbraw/zinc/35/37/63/204353763.db2.gz HAQRRLRYJLZVHJ-SFHVURJKSA-N 1 2 396.441 3.931 50 0 GHAALO CC(=O)c1ccc(OCCCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000012507377 204415405 /nfs/dbraw/zinc/41/54/05/204415405.db2.gz SXQKZSUTMWLMNX-JOCHJYFZSA-N 1 2 391.471 3.688 50 0 GHAALO CSc1ccccc1N1C(=O)[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2ncccc2c1 ZINC000012247777 204386229 /nfs/dbraw/zinc/38/62/29/204386229.db2.gz CUYWSZWKVPFHDL-PXNSSMCTSA-N 1 2 375.497 3.946 50 0 GHAALO CSc1ccccc1N1C(=O)[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2ncccc2c1 ZINC000012247777 204386231 /nfs/dbraw/zinc/38/62/31/204386231.db2.gz CUYWSZWKVPFHDL-PXNSSMCTSA-N 1 2 375.497 3.946 50 0 GHAALO CCc1nn2c(nc(C[NH2+][C@H](c3cccs3)c3ccccc3)cc2=O)s1 ZINC000023805148 204812464 /nfs/dbraw/zinc/81/24/64/204812464.db2.gz QODIPPFSARQSSW-SFHVURJKSA-N 1 2 382.514 3.654 50 0 GHAALO COc1ccccc1[C@H](NC(=O)c1csc(-c2ccco2)n1)c1[nH+]ccn1C ZINC000040052505 205048377 /nfs/dbraw/zinc/04/83/77/205048377.db2.gz SMLUVKAQPBGFFI-KRWDZBQOSA-N 1 2 394.456 3.665 50 0 GHAALO COC(=O)c1c[nH+]ccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1OC ZINC000040448015 205065084 /nfs/dbraw/zinc/06/50/84/205065084.db2.gz XRMPTIZEUVLIBT-UHFFFAOYSA-N 1 2 388.786 3.870 50 0 GHAALO O=C(C[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000048363225 205122229 /nfs/dbraw/zinc/12/22/29/205122229.db2.gz IILAAXRZZTYOEZ-GJZGRUSLSA-N 1 2 387.307 3.592 50 0 GHAALO c1cn(Cc2cccc(CNc3ccc4nnc(-c5ccccc5)n4n3)c2)c[nH+]1 ZINC000053558420 205136910 /nfs/dbraw/zinc/13/69/10/205136910.db2.gz QMCUSRVUZRFJFJ-UHFFFAOYSA-N 1 2 381.443 3.648 50 0 GHAALO Cc1ccc(C2=CC[N@H+](CC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)cc1 ZINC000053813713 205137806 /nfs/dbraw/zinc/13/78/06/205137806.db2.gz SQHUADLTQHQIKZ-UHFFFAOYSA-N 1 2 377.488 3.531 50 0 GHAALO Cc1ccc(C2=CC[N@@H+](CC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)cc1 ZINC000053813713 205137811 /nfs/dbraw/zinc/13/78/11/205137811.db2.gz SQHUADLTQHQIKZ-UHFFFAOYSA-N 1 2 377.488 3.531 50 0 GHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccccc1-n1cccn1 ZINC000053633333 205138656 /nfs/dbraw/zinc/13/86/56/205138656.db2.gz IFCPSIVVZUXYBD-UHFFFAOYSA-N 1 2 375.476 3.578 50 0 GHAALO CC[N@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)Cc1ccc(OC)cc1 ZINC000054176438 205139450 /nfs/dbraw/zinc/13/94/50/205139450.db2.gz NVZMINIMJMYDBW-UHFFFAOYSA-N 1 2 391.397 3.712 50 0 GHAALO CC[N@@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)Cc1ccc(OC)cc1 ZINC000054176438 205139455 /nfs/dbraw/zinc/13/94/55/205139455.db2.gz NVZMINIMJMYDBW-UHFFFAOYSA-N 1 2 391.397 3.712 50 0 GHAALO Clc1ccc(-c2noc(C[N@@H+](Cc3ccncc3)C[C@H]3CCCO3)n2)cc1 ZINC000055107468 205143439 /nfs/dbraw/zinc/14/34/39/205143439.db2.gz FBJZOCNSFYYLRC-GOSISDBHSA-N 1 2 384.867 3.966 50 0 GHAALO Clc1ccc(-c2noc(C[N@H+](Cc3ccncc3)C[C@H]3CCCO3)n2)cc1 ZINC000055107468 205143442 /nfs/dbraw/zinc/14/34/42/205143442.db2.gz FBJZOCNSFYYLRC-GOSISDBHSA-N 1 2 384.867 3.966 50 0 GHAALO COc1ccc2nc(C[NH2+]Cc3c(C)cc(C)c(COC(C)=O)c3C)[nH]c2c1 ZINC000055244202 205144968 /nfs/dbraw/zinc/14/49/68/205144968.db2.gz NHTBKQJAIVKOAW-UHFFFAOYSA-N 1 2 381.476 3.850 50 0 GHAALO Cc1cccc(C(=O)Nc2sc3c(c2C(=O)N2CC[NH+](C)CC2)CCCC3)c1 ZINC000055212203 205146174 /nfs/dbraw/zinc/14/61/74/205146174.db2.gz GDDLOBXUSKDXHI-UHFFFAOYSA-N 1 2 397.544 3.575 50 0 GHAALO Cc1cc2c(cc1O)NC(=O)C[C@H]2c1ccccc1OCCCn1cc[nH+]c1 ZINC000065408566 205233542 /nfs/dbraw/zinc/23/35/42/205233542.db2.gz LHTHKWBHAPYLHZ-KRWDZBQOSA-N 1 2 377.444 3.840 50 0 GHAALO O=C(Nc1ccc[nH]c1=O)c1ccccc1SCc1cn2ccccc2[nH+]1 ZINC000065609668 205240110 /nfs/dbraw/zinc/24/01/10/205240110.db2.gz SXIMTTKMNQRJBC-UHFFFAOYSA-N 1 2 376.441 3.567 50 0 GHAALO CC(=O)Nc1ccc([C@@H]2c3[nH]c[nH+]c3CCN2Cc2coc(C(C)C)n2)cc1 ZINC000067727476 205257193 /nfs/dbraw/zinc/25/71/93/205257193.db2.gz LEPPLKQWFBWADT-HXUWFJFHSA-N 1 2 379.464 3.627 50 0 GHAALO O=C(CCc1cccc2ccccc21)NCc1ccccc1C[NH+]1CCOCC1 ZINC000067338859 205247125 /nfs/dbraw/zinc/24/71/25/205247125.db2.gz JNEYZTQTRWWTFL-UHFFFAOYSA-N 1 2 388.511 3.921 50 0 GHAALO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(OC)c(C)c1 ZINC000072437281 205351338 /nfs/dbraw/zinc/35/13/38/205351338.db2.gz ZWEDOYNCDMHEIK-OAQYLSRUSA-N 1 2 382.504 3.717 50 0 GHAALO COc1ccc(F)cc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccnc(C(C)C)n1 ZINC000072468862 205354071 /nfs/dbraw/zinc/35/40/71/205354071.db2.gz ZZICGUNOPZCUOK-HXUWFJFHSA-N 1 2 381.455 3.619 50 0 GHAALO CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000077378295 205360789 /nfs/dbraw/zinc/36/07/89/205360789.db2.gz DNOQPMAAXKWWEA-UHFFFAOYSA-N 1 2 375.407 3.674 50 0 GHAALO O=S(=O)(CCn1cc[nH+]c1-c1ccnc2ccccc21)c1ccc(F)cc1 ZINC000077489374 205364599 /nfs/dbraw/zinc/36/45/99/205364599.db2.gz LWKSCVAPQWJDBY-UHFFFAOYSA-N 1 2 381.432 3.711 50 0 GHAALO O=C([C@H]1CCCO1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030181000 206070427 /nfs/dbraw/zinc/07/04/27/206070427.db2.gz AGQRSMJTDXWYFJ-GOSISDBHSA-N 1 2 390.936 3.892 50 0 GHAALO COc1cccc([C@H](NC(=O)NCCc2cccc(Cl)c2)c2[nH+]ccn2C)c1 ZINC000029338248 206061061 /nfs/dbraw/zinc/06/10/61/206061061.db2.gz LBLDOXRJEYHWJY-IBGZPJMESA-N 1 2 398.894 3.713 50 0 GHAALO C[C@H](NC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1[nH]cc[nH+]1 ZINC000225701506 206067872 /nfs/dbraw/zinc/06/78/72/206067872.db2.gz XYUSDUMIQKQQPT-NSHDSACASA-N 1 2 390.237 3.835 50 0 GHAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(F)cc(F)c2)c(OC)c1 ZINC000012806946 221234914 /nfs/dbraw/zinc/23/49/14/221234914.db2.gz SWJZZBJGXOIBET-SFHVURJKSA-N 1 2 376.403 3.758 50 0 GHAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(F)cc(F)c2)c(OC)c1 ZINC000012806946 221234915 /nfs/dbraw/zinc/23/49/15/221234915.db2.gz SWJZZBJGXOIBET-SFHVURJKSA-N 1 2 376.403 3.758 50 0 GHAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccc(-c2ccccc2)cc1F ZINC000040106563 132396259 /nfs/dbraw/zinc/39/62/59/132396259.db2.gz CCRAOFWKZXXVTO-UHFFFAOYSA-N 1 2 391.446 3.654 50 0 GHAALO O=C(Nc1cccc2ccccc21)[C@H]1CCCN(c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000062022851 136156406 /nfs/dbraw/zinc/15/64/06/136156406.db2.gz JZMCZIOJJXBECF-SFHVURJKSA-N 1 2 398.470 3.671 50 0 GHAALO Cc1cc(N2CCOCC2)ccc1NC(=O)[C@@H](C)n1cc[nH+]c1-c1ccccc1 ZINC000089589076 136175701 /nfs/dbraw/zinc/17/57/01/136175701.db2.gz BVNWFXRVAZZOIK-GOSISDBHSA-N 1 2 390.487 3.895 50 0 GHAALO CCN(CC)c1ccc(CNC(=O)c2sc(NC(=O)C3CC3)cc2C)c[nH+]1 ZINC000097336925 528307046 /nfs/dbraw/zinc/30/70/46/528307046.db2.gz RVCVGFHQPLXHEF-UHFFFAOYSA-N 1 2 386.521 3.576 50 0 GHAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3nc(-c4ccccc4)no3)C2)cc1F ZINC000019732041 570211920 /nfs/dbraw/zinc/21/19/20/570211920.db2.gz YUGSWIABCZABHM-KRWDZBQOSA-N 1 2 395.434 3.979 50 0 GHAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)cc1F ZINC000019732041 570211923 /nfs/dbraw/zinc/21/19/23/570211923.db2.gz YUGSWIABCZABHM-KRWDZBQOSA-N 1 2 395.434 3.979 50 0 GHAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000019850409 570225571 /nfs/dbraw/zinc/22/55/71/570225571.db2.gz RMEGAVFCMFRXNU-UHFFFAOYSA-N 1 2 378.516 3.614 50 0 GHAALO O=C(CCN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccc(F)c(F)c1 ZINC000019850638 570225633 /nfs/dbraw/zinc/22/56/33/570225633.db2.gz HBTNDGBWWWQODL-QPJJXVBHSA-N 1 2 385.458 3.624 50 0 GHAALO COc1cc(C[N@@H+]2CCCCC[C@H]2c2c(Cl)cnn2C)cc(OC)c1O ZINC000012120278 570228652 /nfs/dbraw/zinc/22/86/52/570228652.db2.gz SUFZMCNPHVAWSF-HNNXBMFYSA-N 1 2 379.888 3.914 50 0 GHAALO COc1cc(C[N@H+]2CCCCC[C@H]2c2c(Cl)cnn2C)cc(OC)c1O ZINC000012120278 570228654 /nfs/dbraw/zinc/22/86/54/570228654.db2.gz SUFZMCNPHVAWSF-HNNXBMFYSA-N 1 2 379.888 3.914 50 0 GHAALO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000019938178 570232280 /nfs/dbraw/zinc/23/22/80/570232280.db2.gz RKIXTAPIHPRFRH-UHFFFAOYSA-N 1 2 382.504 3.968 50 0 GHAALO Cc1ccc(OC[C@@H](O)Cn2c3ccccc3n(Cc3ccccc3)c2=[NH2+])cc1 ZINC000020065927 570238515 /nfs/dbraw/zinc/23/85/15/570238515.db2.gz IVYCKUSKZRQYJC-FQEVSTJZSA-N 1 2 387.483 3.719 50 0 GHAALO CCOC(=O)N1CC[NH+](Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000020149674 570244258 /nfs/dbraw/zinc/24/42/58/570244258.db2.gz TZXXVFRAJIEXOD-UHFFFAOYSA-N 1 2 384.476 3.548 50 0 GHAALO O=C1C[C@H](SCCc2[nH]c3ccccc3[nH+]2)C(=O)N1c1ccc(Cl)cc1 ZINC000001441568 570263204 /nfs/dbraw/zinc/26/32/04/570263204.db2.gz KIQZKNLFNRYTOV-INIZCTEOSA-N 1 2 385.876 3.824 50 0 GHAALO O=C(NCC[NH+]1CCOCC1)c1cc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC000020530300 570265354 /nfs/dbraw/zinc/26/53/54/570265354.db2.gz UZPBHXNTIVBGBJ-UHFFFAOYSA-N 1 2 395.890 3.617 50 0 GHAALO C[N@@H+]1CCc2c(sc3ncn4nc(COc5ccc(Cl)cc5)nc4c23)C1 ZINC000020566617 570267718 /nfs/dbraw/zinc/26/77/18/570267718.db2.gz MWZDSILLKGWJGF-UHFFFAOYSA-N 1 2 385.880 3.559 50 0 GHAALO C[N@H+]1CCc2c(sc3ncn4nc(COc5ccc(Cl)cc5)nc4c23)C1 ZINC000020566617 570267724 /nfs/dbraw/zinc/26/77/24/570267724.db2.gz MWZDSILLKGWJGF-UHFFFAOYSA-N 1 2 385.880 3.559 50 0 GHAALO Cc1c(Cl)cccc1Nc1nc(N)nc(C[N@@H+]2CCc3ccccc3C2)n1 ZINC000001830905 570269394 /nfs/dbraw/zinc/26/93/94/570269394.db2.gz XVHXOCAAWQSDMK-UHFFFAOYSA-N 1 2 380.883 3.718 50 0 GHAALO Cc1c(Cl)cccc1Nc1nc(N)nc(C[N@H+]2CCc3ccccc3C2)n1 ZINC000001830905 570269395 /nfs/dbraw/zinc/26/93/95/570269395.db2.gz XVHXOCAAWQSDMK-UHFFFAOYSA-N 1 2 380.883 3.718 50 0 GHAALO COc1ccc(CCNc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)cc1OC ZINC000020661906 570274078 /nfs/dbraw/zinc/27/40/78/570274078.db2.gz BQUGMAVLXAMINX-UHFFFAOYSA-N 1 2 393.422 3.626 50 0 GHAALO COc1ccc(CCNc2[nH+]cnc3c2cnn3-c2ccc(C)cc2)cc1OC ZINC000020662018 570274458 /nfs/dbraw/zinc/27/44/58/570274458.db2.gz BSMGOVDVTAFKNA-UHFFFAOYSA-N 1 2 389.459 3.796 50 0 GHAALO Cc1cc2[nH+]cn(CC(=O)Nc3ccnn3Cc3cccc(F)c3)c2cc1C ZINC000020867988 570282671 /nfs/dbraw/zinc/28/26/71/570282671.db2.gz SXKXZBBIDYXFIW-UHFFFAOYSA-N 1 2 377.423 3.676 50 0 GHAALO Cc1ccc2c(CC(=O)NC[C@H](c3cccs3)[NH+]3CCOCC3)coc2c1C ZINC000022358300 570314340 /nfs/dbraw/zinc/31/43/40/570314340.db2.gz QYYGHPJHGXAEND-LJQANCHMSA-N 1 2 398.528 3.843 50 0 GHAALO CCCc1ccc([C@@H](C)NC(=O)CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000022923163 570336363 /nfs/dbraw/zinc/33/63/63/570336363.db2.gz LMWKNFHRYNLACC-LJQANCHMSA-N 1 2 397.538 3.773 50 0 GHAALO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000226803809 570375695 /nfs/dbraw/zinc/37/56/95/570375695.db2.gz GPNVWCRELFIRML-WAOWUJCRSA-N 1 2 388.508 3.736 50 0 GHAALO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000226803809 570375698 /nfs/dbraw/zinc/37/56/98/570375698.db2.gz GPNVWCRELFIRML-WAOWUJCRSA-N 1 2 388.508 3.736 50 0 GHAALO COc1ccccc1NC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000024367538 570382851 /nfs/dbraw/zinc/38/28/51/570382851.db2.gz RRAMFJSGUPBNLX-UHFFFAOYSA-N 1 2 389.883 3.577 50 0 GHAALO CC(C)(CNC(=O)c1cn(Cc2ccccc2)c2ccccc12)[NH+]1CCOCC1 ZINC000032819421 570394880 /nfs/dbraw/zinc/39/48/80/570394880.db2.gz ASSSCVRWZQPFJN-UHFFFAOYSA-N 1 2 391.515 3.530 50 0 GHAALO CCOc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1OCC ZINC000024986078 570401822 /nfs/dbraw/zinc/40/18/22/570401822.db2.gz OFKHFICFDVSZFE-UHFFFAOYSA-N 1 2 396.487 3.917 50 0 GHAALO CCOc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1OCC ZINC000024986078 570401824 /nfs/dbraw/zinc/40/18/24/570401824.db2.gz OFKHFICFDVSZFE-UHFFFAOYSA-N 1 2 396.487 3.917 50 0 GHAALO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000012983462 570407990 /nfs/dbraw/zinc/40/79/90/570407990.db2.gz QCVJNYDTXYZHPW-IBGZPJMESA-N 1 2 385.895 3.817 50 0 GHAALO CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000012983462 570407993 /nfs/dbraw/zinc/40/79/93/570407993.db2.gz QCVJNYDTXYZHPW-IBGZPJMESA-N 1 2 385.895 3.817 50 0 GHAALO Cc1nc(-c2ccccc2)sc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000025254797 570409571 /nfs/dbraw/zinc/40/95/71/570409571.db2.gz SVPLKFWYXJRBOV-GJZGRUSLSA-N 1 2 387.549 3.736 50 0 GHAALO CC(C)NC(=S)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000025571385 570416038 /nfs/dbraw/zinc/41/60/38/570416038.db2.gz UAITYQCISMYYEV-UHFFFAOYSA-N 1 2 389.515 3.955 50 0 GHAALO C[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCc2ccccc21 ZINC000029810954 570480797 /nfs/dbraw/zinc/48/07/97/570480797.db2.gz BGMVWMXKTIBIAA-SFHVURJKSA-N 1 2 394.334 3.842 50 0 GHAALO C[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCc2ccccc21 ZINC000029810954 570480799 /nfs/dbraw/zinc/48/07/99/570480799.db2.gz BGMVWMXKTIBIAA-SFHVURJKSA-N 1 2 394.334 3.842 50 0 GHAALO Cc1ccc(-c2nnc(SCC[NH+]3CCOCC3)n2-c2ccccc2)cc1 ZINC000033344709 570525446 /nfs/dbraw/zinc/52/54/46/570525446.db2.gz XFNVKVALBQLNOL-UHFFFAOYSA-N 1 2 380.517 3.667 50 0 GHAALO COc1ccc(C)cc1NC(=O)Nc1cnn(Cc2cn3ccccc3[nH+]2)c1 ZINC000072309803 570533296 /nfs/dbraw/zinc/53/32/96/570533296.db2.gz CDHIRZVIVDXFAA-UHFFFAOYSA-N 1 2 376.420 3.540 50 0 GHAALO O=S(=O)(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022767457 570544100 /nfs/dbraw/zinc/54/41/00/570544100.db2.gz RXBMQLYABNGZAC-OAQYLSRUSA-N 1 2 398.553 3.826 50 0 GHAALO O=S(=O)(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022767457 570544103 /nfs/dbraw/zinc/54/41/03/570544103.db2.gz RXBMQLYABNGZAC-OAQYLSRUSA-N 1 2 398.553 3.826 50 0 GHAALO O=C(NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000022907035 570563511 /nfs/dbraw/zinc/56/35/11/570563511.db2.gz TVJPOGOZIOYSLV-LJQANCHMSA-N 1 2 390.439 3.538 50 0 GHAALO O=C(NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000022907035 570563516 /nfs/dbraw/zinc/56/35/16/570563516.db2.gz TVJPOGOZIOYSLV-LJQANCHMSA-N 1 2 390.439 3.538 50 0 GHAALO CN(C)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1cc(F)ccc1F ZINC000014994215 570674558 /nfs/dbraw/zinc/67/45/58/570674558.db2.gz BAIXUQHTYYGKLF-MJGOQNOKSA-N 1 2 394.462 3.927 50 0 GHAALO CN(C)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1cc(F)ccc1F ZINC000014994215 570674560 /nfs/dbraw/zinc/67/45/60/570674560.db2.gz BAIXUQHTYYGKLF-MJGOQNOKSA-N 1 2 394.462 3.927 50 0 GHAALO Cc1cccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)c1 ZINC000004341516 570676648 /nfs/dbraw/zinc/67/66/48/570676648.db2.gz YQZYAEJEWZYEQF-UHFFFAOYSA-N 1 2 393.447 3.994 50 0 GHAALO Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)s1 ZINC000055168050 570685509 /nfs/dbraw/zinc/68/55/09/570685509.db2.gz NAFQFKKDKYSRCM-KRWDZBQOSA-N 1 2 387.524 3.622 50 0 GHAALO Cc1oc(-c2ccc3ccccc3c2)nc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000055182509 570685615 /nfs/dbraw/zinc/68/56/15/570685615.db2.gz MPKCEXZEVCSJGQ-UHFFFAOYSA-N 1 2 385.471 3.915 50 0 GHAALO O[C@H](Cc1ccccc1)C1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000012589567 570686698 /nfs/dbraw/zinc/68/66/98/570686698.db2.gz UGNOVQRLFBFHRG-OAQYLSRUSA-N 1 2 395.478 3.615 50 0 GHAALO COc1cc(OC)c(OC)cc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000055543008 570696122 /nfs/dbraw/zinc/69/61/22/570696122.db2.gz APPPTOGRYGYAPO-UHFFFAOYSA-N 1 2 376.884 3.688 50 0 GHAALO Cc1ccc2c(CC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)coc2c1C ZINC000017795894 570715100 /nfs/dbraw/zinc/71/51/00/570715100.db2.gz CANHEPKAWIFNCN-OAQYLSRUSA-N 1 2 392.499 3.609 50 0 GHAALO Cc1ccc2c(CC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)coc2c1C ZINC000017795894 570715104 /nfs/dbraw/zinc/71/51/04/570715104.db2.gz CANHEPKAWIFNCN-OAQYLSRUSA-N 1 2 392.499 3.609 50 0 GHAALO O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000032685345 570739064 /nfs/dbraw/zinc/73/90/64/570739064.db2.gz CQENNFYVOAPQAA-UHFFFAOYSA-N 1 2 389.390 3.524 50 0 GHAALO CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)C[NH+]1CCCC1 ZINC000013140788 570748817 /nfs/dbraw/zinc/74/88/17/570748817.db2.gz UUQORJRRVXWUKO-UHFFFAOYSA-N 1 2 376.453 3.765 50 0 GHAALO CCCC(=O)N(CCC[NH+]1CCOCC1)c1nc2c(ccc(C)c2C)s1 ZINC000022997936 570775102 /nfs/dbraw/zinc/77/51/02/570775102.db2.gz ZNNIPWUXRYXCCH-UHFFFAOYSA-N 1 2 375.538 3.769 50 0 GHAALO C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031479 570778376 /nfs/dbraw/zinc/77/83/76/570778376.db2.gz LJIDKAQCRUFBLE-OXQOHEQNSA-N 1 2 386.927 3.839 50 0 GHAALO COc1ccc(NC(=O)c2nnc(C[NH2+][C@@H](C)c3cccc(F)c3)s2)cc1 ZINC000096795034 570785180 /nfs/dbraw/zinc/78/51/80/570785180.db2.gz MWBSTEAALUXXDT-LBPRGKRZSA-N 1 2 386.452 3.789 50 0 GHAALO C[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018049124 570797977 /nfs/dbraw/zinc/79/79/77/570797977.db2.gz UTQYGKAMPZTGNC-KUHUBIRLSA-N 1 2 392.484 3.553 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)NCCOc1ccccc1)c1ccc(Cl)cc1 ZINC000032802273 570820684 /nfs/dbraw/zinc/82/06/84/570820684.db2.gz YVJQMAFAKVPGEF-GOSISDBHSA-N 1 2 384.867 3.541 50 0 GHAALO CN(CC[NH+]1CCOCC1)C(=O)C[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000015067701 570876302 /nfs/dbraw/zinc/87/63/02/570876302.db2.gz GAZUQRLOMNAXLD-NRFANRHFSA-N 1 2 386.923 3.653 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/nfs/dbraw/zinc/14/81/25/205148125.db2.gz UMDXECOCNGSQPW-UHFFFAOYSA-N 1 2 392.459 3.710 50 0 GHAALO CC(C)(C)c1noc(CCCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)n1 ZINC000057359141 205156130 /nfs/dbraw/zinc/15/61/30/205156130.db2.gz DOCZVAANNDZYOS-UHFFFAOYSA-N 1 2 397.479 3.604 50 0 GHAALO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1Br ZINC000057611603 205160185 /nfs/dbraw/zinc/16/01/85/205160185.db2.gz DAMZCKCQTHOBPL-UHFFFAOYSA-N 1 2 388.309 3.518 50 0 GHAALO CC[N@H+](CCCNC(=O)Cc1cc(=O)oc2cc(C)ccc12)c1ccccc1 ZINC000058048532 205162154 /nfs/dbraw/zinc/16/21/54/205162154.db2.gz DKUJHKSNDFPCIO-UHFFFAOYSA-N 1 2 378.472 3.677 50 0 GHAALO CC[N@@H+](CCCNC(=O)Cc1cc(=O)oc2cc(C)ccc12)c1ccccc1 ZINC000058048532 205162158 /nfs/dbraw/zinc/16/21/58/205162158.db2.gz DKUJHKSNDFPCIO-UHFFFAOYSA-N 1 2 378.472 3.677 50 0 GHAALO COCCOc1cc(NC(=O)Cn2c3ccccc3[nH+]c2C2CC2)ccc1OC ZINC000058325012 205171688 /nfs/dbraw/zinc/17/16/88/205171688.db2.gz PKNRSTABPLDBOY-UHFFFAOYSA-N 1 2 395.459 3.586 50 0 GHAALO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCN(c2nccs2)CC1 ZINC000058512217 205177114 /nfs/dbraw/zinc/17/71/14/205177114.db2.gz UEUJOGBNDLYQLE-KRWDZBQOSA-N 1 2 392.528 3.959 50 0 GHAALO Cc1cc(C)cc(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)cc(C)cc4c(=O)c3C2)c1 ZINC000065034958 205208288 /nfs/dbraw/zinc/20/82/88/205208288.db2.gz LQBNDMIPNUCBKK-UHFFFAOYSA-N 1 2 389.499 3.759 50 0 GHAALO Cc1cc(C)cc(NC(=O)C[N@H+]2CCc3[nH]c4c(C)cc(C)cc4c(=O)c3C2)c1 ZINC000065034958 205208290 /nfs/dbraw/zinc/20/82/90/205208290.db2.gz LQBNDMIPNUCBKK-UHFFFAOYSA-N 1 2 389.499 3.759 50 0 GHAALO CCc1[nH+]c2cc3c(cc2n1CC(=O)N[C@@H]1CCCc2ccccc21)OCCO3 ZINC000064795202 205194939 /nfs/dbraw/zinc/19/49/39/205194939.db2.gz CYLZIHRTCMNMCO-QGZVFWFLSA-N 1 2 391.471 3.564 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)nc[nH+]1 ZINC000065274251 205225647 /nfs/dbraw/zinc/22/56/47/205225647.db2.gz WOSJUVQVJSLQPF-UHFFFAOYSA-N 1 2 399.514 3.751 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)[nH+]cn1 ZINC000065274251 205225651 /nfs/dbraw/zinc/22/56/51/205225651.db2.gz WOSJUVQVJSLQPF-UHFFFAOYSA-N 1 2 399.514 3.751 50 0 GHAALO COc1ncc(-c2c(-c3ccccc3)ncn2[C@@H](c2[nH+]ccn2C)C(C)C)cn1 ZINC000065505654 205236626 /nfs/dbraw/zinc/23/66/26/205236626.db2.gz SEYSTERHIKHJTO-LJQANCHMSA-N 1 2 388.475 3.995 50 0 GHAALO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+](C)Cc1cnc(N)nc1 ZINC000067649229 205252848 /nfs/dbraw/zinc/25/28/48/205252848.db2.gz VDKNHRKRRARKIE-UHFFFAOYSA-N 1 2 377.370 3.673 50 0 GHAALO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+](C)Cc1cnc(N)nc1 ZINC000067649229 205252851 /nfs/dbraw/zinc/25/28/51/205252851.db2.gz VDKNHRKRRARKIE-UHFFFAOYSA-N 1 2 377.370 3.673 50 0 GHAALO O=C(NCc1ccc[nH+]c1N1CCc2ccccc2C1)[C@@H]1CCc2ccccc21 ZINC000067649393 205253090 /nfs/dbraw/zinc/25/30/90/205253090.db2.gz ZHBQKAAWYNFGGT-HSZRJFAPSA-N 1 2 383.495 3.991 50 0 GHAALO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cc1 ZINC000067982790 205269808 /nfs/dbraw/zinc/26/98/08/205269808.db2.gz HNRGOBJLROJPGW-XZOQPEGZSA-N 1 2 395.524 3.594 50 0 GHAALO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cc1 ZINC000067982790 205269812 /nfs/dbraw/zinc/26/98/12/205269812.db2.gz HNRGOBJLROJPGW-XZOQPEGZSA-N 1 2 395.524 3.594 50 0 GHAALO Cc1noc([C@H]2CCC[N@@H+]2Cc2cccc(C(=O)Nc3c(C)noc3C)c2)n1 ZINC000067457786 205246354 /nfs/dbraw/zinc/24/63/54/205246354.db2.gz KNUOWMXQFKUJBJ-QGZVFWFLSA-N 1 2 381.436 3.572 50 0 GHAALO Cc1noc([C@H]2CCC[N@H+]2Cc2cccc(C(=O)Nc3c(C)noc3C)c2)n1 ZINC000067457786 205246358 /nfs/dbraw/zinc/24/63/58/205246358.db2.gz KNUOWMXQFKUJBJ-QGZVFWFLSA-N 1 2 381.436 3.572 50 0 GHAALO Cc1ccc(NC(=O)C[NH+]2CCC(c3nnc4ccccn43)CC2)c(Cl)c1 ZINC000067442489 205246441 /nfs/dbraw/zinc/24/64/41/205246441.db2.gz QAGYDRLGGXUPAM-UHFFFAOYSA-N 1 2 383.883 3.509 50 0 GHAALO CC(C)[C@@H]1CN(C(=O)c2[nH]ncc2Cl)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071752890 205291408 /nfs/dbraw/zinc/29/14/08/205291408.db2.gz QHTDAIAUVODYHA-KRWDZBQOSA-N 1 2 378.879 3.575 50 0 GHAALO CC(C)[C@@H]1CN(C(=O)c2[nH]ncc2Cl)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071752890 205291412 /nfs/dbraw/zinc/29/14/12/205291412.db2.gz QHTDAIAUVODYHA-KRWDZBQOSA-N 1 2 378.879 3.575 50 0 GHAALO Clc1cc(Cl)cc(-c2noc(N3CC[NH+](Cc4ccccn4)CC3)n2)c1 ZINC000079016513 205379293 /nfs/dbraw/zinc/37/92/93/205379293.db2.gz FDDUBHKOXPKRMX-UHFFFAOYSA-N 1 2 390.274 3.761 50 0 GHAALO Nc1nc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)nc2ccccc12 ZINC000084593277 205395819 /nfs/dbraw/zinc/39/58/19/205395819.db2.gz MOCJRRCSHDHISU-UHFFFAOYSA-N 1 2 382.414 3.585 50 0 GHAALO C[N@@H+]1CCN(C(=O)c2cc(F)ccc2Br)[C@@H](c2ccccc2)C1 ZINC000030030024 206070259 /nfs/dbraw/zinc/07/02/59/206070259.db2.gz WNJWOJNDYCFYGZ-QGZVFWFLSA-N 1 2 377.257 3.717 50 0 GHAALO C[N@H+]1CCN(C(=O)c2cc(F)ccc2Br)[C@@H](c2ccccc2)C1 ZINC000030030024 206070264 /nfs/dbraw/zinc/07/02/64/206070264.db2.gz WNJWOJNDYCFYGZ-QGZVFWFLSA-N 1 2 377.257 3.717 50 0 GHAALO Cc1cc(C)cc(OCCC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1 ZINC000032769173 206093069 /nfs/dbraw/zinc/09/30/69/206093069.db2.gz DNHQOSQXNOIEAE-NRFANRHFSA-N 1 2 381.451 3.851 50 0 GHAALO CCn1ncc2ccc(NC(=O)N(C)C3CCN(c4cccc[nH+]4)CC3)cc21 ZINC000239352079 206123938 /nfs/dbraw/zinc/12/39/38/206123938.db2.gz ABAKXHSIWGXKQF-UHFFFAOYSA-N 1 2 378.480 3.584 50 0 GHAALO COc1ccc(F)c(C[N@@H+]2CCOc3ccc([C@@H](O)c4ccncc4)cc3C2)c1 ZINC000299770250 206187784 /nfs/dbraw/zinc/18/77/84/206187784.db2.gz OKFZXLKRFCHMQM-QHCPKHFHSA-N 1 2 394.446 3.706 50 0 GHAALO COc1ccc(F)c(C[N@H+]2CCOc3ccc([C@@H](O)c4ccncc4)cc3C2)c1 ZINC000299770250 206187788 /nfs/dbraw/zinc/18/77/88/206187788.db2.gz OKFZXLKRFCHMQM-QHCPKHFHSA-N 1 2 394.446 3.706 50 0 GHAALO O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000012557753 221206704 /nfs/dbraw/zinc/20/67/04/221206704.db2.gz DDGXRQTXPPGBOB-UHFFFAOYSA-N 1 2 395.466 3.654 50 0 GHAALO Cn1c(C[N@H+](C)Cc2ccccc2N2CCOCC2)nc2cc(Cl)ccc21 ZINC000095356685 136178096 /nfs/dbraw/zinc/17/80/96/136178096.db2.gz NNWFDOZHNCVAHM-UHFFFAOYSA-N 1 2 384.911 3.695 50 0 GHAALO Cn1c(C[N@@H+](C)Cc2ccccc2N2CCOCC2)nc2cc(Cl)ccc21 ZINC000095356685 136178097 /nfs/dbraw/zinc/17/80/97/136178097.db2.gz NNWFDOZHNCVAHM-UHFFFAOYSA-N 1 2 384.911 3.695 50 0 GHAALO Cc1ccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000096317169 136186436 /nfs/dbraw/zinc/18/64/36/136186436.db2.gz LXBFEDNDAOAROU-UHFFFAOYSA-N 1 2 392.547 3.866 50 0 GHAALO COC(=O)Cn1ncc2c1nc[nH+]c2N1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC000095449530 536387751 /nfs/dbraw/zinc/38/77/51/536387751.db2.gz XPDNBHJPWILDSN-IBGZPJMESA-N 1 2 393.491 3.854 50 0 GHAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCN(c2ccc(C)cc2)[C@H](C)C1 ZINC000102623957 536576673 /nfs/dbraw/zinc/57/66/73/536576673.db2.gz SDJGCAAVUBXCTA-MRXNPFEDSA-N 1 2 387.911 3.806 50 0 GHAALO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCN(c2ccc(C)cc2)[C@H](C)C1 ZINC000102623957 536576678 /nfs/dbraw/zinc/57/66/78/536576678.db2.gz SDJGCAAVUBXCTA-MRXNPFEDSA-N 1 2 387.911 3.806 50 0 GHAALO c1[nH]cc(CCn2nc(C3CCOCC3)nc2-c2scc3c2CCCC3)[nH+]1 ZINC000096163858 570217380 /nfs/dbraw/zinc/21/73/80/570217380.db2.gz NBKHVHFZQOYYRH-UHFFFAOYSA-N 1 2 383.521 3.745 50 0 GHAALO c1[nH]c(CCn2nc(C3CCOCC3)nc2-c2scc3c2CCCC3)c[nH+]1 ZINC000096163858 570217383 /nfs/dbraw/zinc/21/73/83/570217383.db2.gz NBKHVHFZQOYYRH-UHFFFAOYSA-N 1 2 383.521 3.745 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Br)cc1)c1cccc(F)c1 ZINC000012809050 570222356 /nfs/dbraw/zinc/22/23/56/570222356.db2.gz QAGAELFEGMCROT-MRXNPFEDSA-N 1 2 388.240 3.841 50 0 GHAALO CC(C)CCn1c(C[N@H+](C)CCc2ccccc2)cnc1S(=O)(=O)C(C)C ZINC000019839130 570224247 /nfs/dbraw/zinc/22/42/47/570224247.db2.gz FLIVXYNUHFAKRB-UHFFFAOYSA-N 1 2 391.581 3.786 50 0 GHAALO CC(C)CCn1c(C[N@@H+](C)CCc2ccccc2)cnc1S(=O)(=O)C(C)C ZINC000019839130 570224249 /nfs/dbraw/zinc/22/42/49/570224249.db2.gz FLIVXYNUHFAKRB-UHFFFAOYSA-N 1 2 391.581 3.786 50 0 GHAALO CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[N@@H+](C)C3 ZINC000019940005 570232881 /nfs/dbraw/zinc/23/28/81/570232881.db2.gz VACIIAZNJJKTHE-UHFFFAOYSA-N 1 2 387.530 3.556 50 0 GHAALO CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[N@H+](C)C3 ZINC000019940005 570232883 /nfs/dbraw/zinc/23/28/83/570232883.db2.gz VACIIAZNJJKTHE-UHFFFAOYSA-N 1 2 387.530 3.556 50 0 GHAALO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000020130455 570241693 /nfs/dbraw/zinc/24/16/93/570241693.db2.gz MFTCLTLWWTWMKF-MHORFTMASA-N 1 2 378.815 3.662 50 0 GHAALO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000020130455 570241696 /nfs/dbraw/zinc/24/16/96/570241696.db2.gz MFTCLTLWWTWMKF-MHORFTMASA-N 1 2 378.815 3.662 50 0 GHAALO COc1ccc(OC)c([C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000097713663 570250359 /nfs/dbraw/zinc/25/03/59/570250359.db2.gz SUKRQVAESRMNOR-KRWDZBQOSA-N 1 2 377.444 3.519 50 0 GHAALO COc1cc2c(cc1OC)C[N@H+](Cc1nc(-c3ccccc3Cl)no1)CC2 ZINC000012881665 570283684 /nfs/dbraw/zinc/28/36/84/570283684.db2.gz KAHKHJMRBHTEPL-UHFFFAOYSA-N 1 2 385.851 3.966 50 0 GHAALO COc1cc2c(cc1OC)C[N@@H+](Cc1nc(-c3ccccc3Cl)no1)CC2 ZINC000012881665 570283687 /nfs/dbraw/zinc/28/36/87/570283687.db2.gz KAHKHJMRBHTEPL-UHFFFAOYSA-N 1 2 385.851 3.966 50 0 GHAALO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000012916051 570293080 /nfs/dbraw/zinc/29/30/80/570293080.db2.gz NUZIFFSYPLDFGO-ZDUSSCGKSA-N 1 2 398.334 3.655 50 0 GHAALO Cn1ncc2c1nc[nH+]c2SCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000021755026 570295545 /nfs/dbraw/zinc/29/55/45/570295545.db2.gz ODNGOKSHGAWZMO-UHFFFAOYSA-N 1 2 392.366 3.724 50 0 GHAALO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000035288644 570296820 /nfs/dbraw/zinc/29/68/20/570296820.db2.gz QCWISTPWVGSXET-YOEHRIQHSA-N 1 2 384.501 3.932 50 0 GHAALO CC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000035288644 570296823 /nfs/dbraw/zinc/29/68/23/570296823.db2.gz QCWISTPWVGSXET-YOEHRIQHSA-N 1 2 384.501 3.932 50 0 GHAALO O=C(C[NH+]1CCCC1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000002884186 570316380 /nfs/dbraw/zinc/31/63/80/570316380.db2.gz KVNBTYGYHFMAIC-UHFFFAOYSA-N 1 2 383.517 3.914 50 0 GHAALO Cc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)cc1 ZINC000023973666 570340966 /nfs/dbraw/zinc/34/09/66/570340966.db2.gz IIQDNWOLEANRKK-IBGZPJMESA-N 1 2 392.421 3.817 50 0 GHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000023805638 570372872 /nfs/dbraw/zinc/37/28/72/570372872.db2.gz ALPVPVGQMKFUTN-HNAYVOBHSA-N 1 2 391.471 3.983 50 0 GHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000023805638 570372873 /nfs/dbraw/zinc/37/28/73/570372873.db2.gz ALPVPVGQMKFUTN-HNAYVOBHSA-N 1 2 391.471 3.983 50 0 GHAALO O=C1c2ccccc2N(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O ZINC000023873430 570374544 /nfs/dbraw/zinc/37/45/44/570374544.db2.gz OUJJENWCZFOSOI-CQSZACIVSA-N 1 2 377.469 3.663 50 0 GHAALO O=C1c2ccccc2N(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O ZINC000023873430 570374546 /nfs/dbraw/zinc/37/45/46/570374546.db2.gz OUJJENWCZFOSOI-CQSZACIVSA-N 1 2 377.469 3.663 50 0 GHAALO Cc1cccc2c(=O)[nH]c(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCCO4)nc12 ZINC000024602296 570387402 /nfs/dbraw/zinc/38/74/02/570387402.db2.gz SLLXOWGDGJAHIX-SFHVURJKSA-N 1 2 391.471 3.730 50 0 GHAALO Cc1cccc2c(=O)[nH]c(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCCO4)nc12 ZINC000024602296 570387405 /nfs/dbraw/zinc/38/74/05/570387405.db2.gz SLLXOWGDGJAHIX-SFHVURJKSA-N 1 2 391.471 3.730 50 0 GHAALO O=S(=O)(CC[N@@H+](Cc1ccccc1)C1CC1)c1ccc(Br)cc1 ZINC000025126437 570406491 /nfs/dbraw/zinc/40/64/91/570406491.db2.gz MJNGRAUAJJIZKH-UHFFFAOYSA-N 1 2 394.334 3.887 50 0 GHAALO O=S(=O)(CC[N@H+](Cc1ccccc1)C1CC1)c1ccc(Br)cc1 ZINC000025126437 570406489 /nfs/dbraw/zinc/40/64/89/570406489.db2.gz MJNGRAUAJJIZKH-UHFFFAOYSA-N 1 2 394.334 3.887 50 0 GHAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000025381409 570412474 /nfs/dbraw/zinc/41/24/74/570412474.db2.gz IIVPEOYBWDFXDM-UHFFFAOYSA-N 1 2 389.499 3.768 50 0 GHAALO CCc1nnc([C@@H](C)[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)o1 ZINC000089296182 570444972 /nfs/dbraw/zinc/44/49/72/570444972.db2.gz PSXNSBFFDUSXPK-CYBMUJFWSA-N 1 2 377.876 3.586 50 0 GHAALO CCc1nnc([C@@H](C)[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)o1 ZINC000089296182 570444976 /nfs/dbraw/zinc/44/49/76/570444976.db2.gz PSXNSBFFDUSXPK-CYBMUJFWSA-N 1 2 377.876 3.586 50 0 GHAALO Cc1c(C)n(C[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c2ccc(F)cc12 ZINC000028297185 570457674 /nfs/dbraw/zinc/45/76/74/570457674.db2.gz XQCJBSBZLWMDLH-QFIPXVFZSA-N 1 2 395.522 3.576 50 0 GHAALO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@]31c2ccccc2N(CC(C)C)C1=O ZINC000020064232 570469204 /nfs/dbraw/zinc/46/92/04/570469204.db2.gz LKULLQWAHRHBNB-QHCPKHFHSA-N 1 2 375.472 3.568 50 0 biogenic GHAALO Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@]31c2cc(Br)ccc2N(C)C1=O ZINC000020064220 570469285 /nfs/dbraw/zinc/46/92/85/570469285.db2.gz XALNDTZHSRQZEY-FQEVSTJZSA-N 1 2 396.288 3.605 50 0 biogenic GHAALO CC(C)c1c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cnn1-c1ccccc1 ZINC000030603506 570492290 /nfs/dbraw/zinc/49/22/90/570492290.db2.gz LODRYVGAILODFY-UHFFFAOYSA-N 1 2 389.503 3.921 50 0 GHAALO CN(Cc1ccco1)C(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC000072306890 570524644 /nfs/dbraw/zinc/52/46/44/570524644.db2.gz DUOMLRHUZKHTRF-KRWDZBQOSA-N 1 2 377.282 3.838 50 0 GHAALO C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1=O ZINC000154146200 570542972 /nfs/dbraw/zinc/54/29/72/570542972.db2.gz SUPOJVNLPNFQIZ-APWZRJJASA-N 1 2 388.471 3.635 50 0 GHAALO COc1ccc(C(=O)Nc2sc3c(c2C[NH+]2CCOCC2)CCCC3)cc1 ZINC000034133481 570571353 /nfs/dbraw/zinc/57/13/53/570571353.db2.gz SRLJTNBCCNXIBI-UHFFFAOYSA-N 1 2 386.517 3.720 50 0 GHAALO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(F)cc2F)ccc1OC(F)F ZINC000003540948 570610891 /nfs/dbraw/zinc/61/08/91/570610891.db2.gz GVHGRBJDFCZOPG-UHFFFAOYSA-N 1 2 386.345 3.645 50 0 GHAALO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(F)cc2F)ccc1OC(F)F ZINC000003540948 570610895 /nfs/dbraw/zinc/61/08/95/570610895.db2.gz GVHGRBJDFCZOPG-UHFFFAOYSA-N 1 2 386.345 3.645 50 0 GHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000003585579 570612177 /nfs/dbraw/zinc/61/21/77/570612177.db2.gz SQCAUAVKQFISPM-UHFFFAOYSA-N 1 2 398.381 3.673 50 0 GHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000003585579 570612180 /nfs/dbraw/zinc/61/21/80/570612180.db2.gz SQCAUAVKQFISPM-UHFFFAOYSA-N 1 2 398.381 3.673 50 0 GHAALO CC(=O)c1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cs1 ZINC000012429822 570658499 /nfs/dbraw/zinc/65/84/99/570658499.db2.gz AXZPVBQRZMIEEE-IBGZPJMESA-N 1 2 394.500 3.740 50 0 GHAALO CC(=O)c1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cs1 ZINC000012429822 570658501 /nfs/dbraw/zinc/65/85/01/570658501.db2.gz AXZPVBQRZMIEEE-IBGZPJMESA-N 1 2 394.500 3.740 50 0 GHAALO CCCCNc1[nH+]c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000012636170 570694394 /nfs/dbraw/zinc/69/43/94/570694394.db2.gz DHRVCRNHDDSRCP-UHFFFAOYSA-N 1 2 380.448 3.658 50 0 GHAALO CCOC(=O)c1sc2[nH]c(C[N@H+](C)Cc3ccc(C)cc3C)nc(=O)c2c1C ZINC000017290231 570702435 /nfs/dbraw/zinc/70/24/35/570702435.db2.gz ONBKDEYXHIPLCA-UHFFFAOYSA-N 1 2 399.516 3.719 50 0 GHAALO CCOC(=O)c1sc2[nH]c(C[N@@H+](C)Cc3ccc(C)cc3C)nc(=O)c2c1C ZINC000017290231 570702438 /nfs/dbraw/zinc/70/24/38/570702438.db2.gz ONBKDEYXHIPLCA-UHFFFAOYSA-N 1 2 399.516 3.719 50 0 GHAALO COc1ccccc1NC(=S)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000013878788 570703324 /nfs/dbraw/zinc/70/33/24/570703324.db2.gz GNMFRKIFUKWMBP-KBXCAEBGSA-N 1 2 391.562 3.505 50 0 GHAALO O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000012814891 570720704 /nfs/dbraw/zinc/72/07/04/570720704.db2.gz BJVHPIWXWSQNRI-UHFFFAOYSA-N 1 2 393.512 3.818 50 0 GHAALO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)n2)CC1 ZINC000012877449 570726209 /nfs/dbraw/zinc/72/62/09/570726209.db2.gz OIRYWGFYMFGKHH-UHFFFAOYSA-N 1 2 398.532 3.976 50 0 GHAALO O=C(NCc1cccc(F)c1)C1CCN(c2[nH]c3ccc(Cl)cc3[nH+]2)CC1 ZINC000033071222 570803184 /nfs/dbraw/zinc/80/31/84/570803184.db2.gz NPAPHBSZWAROCZ-UHFFFAOYSA-N 1 2 386.858 3.888 50 0 GHAALO COc1cc(C)c(C[NH+]2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1OC ZINC000014182063 570826702 /nfs/dbraw/zinc/82/67/02/570826702.db2.gz VCXYLSPHBYUYHM-UHFFFAOYSA-N 1 2 394.471 3.716 50 0 GHAALO Cc1cc(C(=O)CCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c(C)s1 ZINC000012535342 570835621 /nfs/dbraw/zinc/83/56/21/570835621.db2.gz DFKARSIGJSPXOY-HXUWFJFHSA-N 1 2 381.501 3.967 50 0 GHAALO C[C@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547606 570849312 /nfs/dbraw/zinc/84/93/12/570849312.db2.gz CGPPGHYRRVXQBX-HNNXBMFYSA-N 1 2 392.484 3.876 50 0 GHAALO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 ZINC000003351060 570860439 /nfs/dbraw/zinc/86/04/39/570860439.db2.gz YHMWGXYETFTREW-CYBMUJFWSA-N 1 2 396.818 3.533 50 0 GHAALO Cn1cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)cn1 ZINC000014975217 570868602 /nfs/dbraw/zinc/86/86/02/570868602.db2.gz QKAISAKHKNYGPY-OAQYLSRUSA-N 1 2 378.451 3.829 50 0 GHAALO Cn1cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)cn1 ZINC000014975217 570868604 /nfs/dbraw/zinc/86/86/04/570868604.db2.gz QKAISAKHKNYGPY-OAQYLSRUSA-N 1 2 378.451 3.829 50 0 GHAALO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1cccc(Br)c1 ZINC000012602782 570887409 /nfs/dbraw/zinc/88/74/09/570887409.db2.gz DVYBYHYYQGYDEW-AWEZNQCLSA-N 1 2 375.266 3.801 50 0 GHAALO C[N@@H+]1CCc2nc(NC(=O)C3(c4ccc(Br)cc4)CC3)sc2C1 ZINC000043732102 570888531 /nfs/dbraw/zinc/88/85/31/570888531.db2.gz CEFZLJXIVCFZFF-UHFFFAOYSA-N 1 2 392.322 3.564 50 0 GHAALO C[N@H+]1CCc2nc(NC(=O)C3(c4ccc(Br)cc4)CC3)sc2C1 ZINC000043732102 570888534 /nfs/dbraw/zinc/88/85/34/570888534.db2.gz CEFZLJXIVCFZFF-UHFFFAOYSA-N 1 2 392.322 3.564 50 0 GHAALO O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1scnc1C1CC1 ZINC000127201029 570893898 /nfs/dbraw/zinc/89/38/98/570893898.db2.gz DRVALNJRNXRIEM-ZDUSSCGKSA-N 1 2 377.460 3.693 50 0 GHAALO O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1scnc1C1CC1 ZINC000127201029 570893899 /nfs/dbraw/zinc/89/38/99/570893899.db2.gz DRVALNJRNXRIEM-ZDUSSCGKSA-N 1 2 377.460 3.693 50 0 GHAALO O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000032913131 570916243 /nfs/dbraw/zinc/91/62/43/570916243.db2.gz YMRXLJFELFHWJJ-UHFFFAOYSA-N 1 2 389.377 3.803 50 0 GHAALO CCN(CC)c1cc(CNC(=O)Nc2cc(Cl)ccc2C(=O)OC)cc[nH+]1 ZINC000033280263 570954206 /nfs/dbraw/zinc/95/42/06/570954206.db2.gz ZUQORUZOBXSJDZ-UHFFFAOYSA-N 1 2 390.871 3.690 50 0 GHAALO C[N@H+](CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000252444482 570957643 /nfs/dbraw/zinc/95/76/43/570957643.db2.gz LSYVKXPYXATFFN-NJDAHSKKSA-N 1 2 378.447 3.756 50 0 GHAALO C[N@@H+](CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000252444482 570957646 /nfs/dbraw/zinc/95/76/46/570957646.db2.gz LSYVKXPYXATFFN-NJDAHSKKSA-N 1 2 378.447 3.756 50 0 GHAALO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)OCC[NH+]3CCOCC3)cc12 ZINC000019203934 570959924 /nfs/dbraw/zinc/95/99/24/570959924.db2.gz RTJCOGKYJBIDML-UHFFFAOYSA-N 1 2 392.499 3.795 50 0 biogenic GHAALO CCSc1[nH+]ccc2c1ccn2CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000033298664 570962446 /nfs/dbraw/zinc/96/24/46/570962446.db2.gz DIMPVGGBDIZGKE-UHFFFAOYSA-N 1 2 398.507 3.636 50 0 GHAALO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000023248943 570996706 /nfs/dbraw/zinc/99/67/06/570996706.db2.gz VLFYJEQKEWNILC-ROUUACIJSA-N 1 2 385.939 3.724 50 0 GHAALO C[C@H](NC(=O)[C@H](C)N1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000023248943 570996711 /nfs/dbraw/zinc/99/67/11/570996711.db2.gz VLFYJEQKEWNILC-ROUUACIJSA-N 1 2 385.939 3.724 50 0 GHAALO O=C1N(C2CCCCC2)CCC[C@]12CC[N@H+](Cc1noc(C3CCCC3)n1)C2 ZINC000091390973 571006114 /nfs/dbraw/zinc/00/61/14/571006114.db2.gz WSEYZPAHYTYVSW-JOCHJYFZSA-N 1 2 386.540 3.874 50 0 GHAALO O=C1N(C2CCCCC2)CCC[C@]12CC[N@@H+](Cc1noc(C3CCCC3)n1)C2 ZINC000091390973 571006117 /nfs/dbraw/zinc/00/61/17/571006117.db2.gz WSEYZPAHYTYVSW-JOCHJYFZSA-N 1 2 386.540 3.874 50 0 GHAALO Cc1c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)sc2nc(C3CC3)nc(C)c12 ZINC000012770234 571021992 /nfs/dbraw/zinc/02/19/92/571021992.db2.gz FZHZWBZGZWLBLN-UHFFFAOYSA-N 1 2 399.545 3.882 50 0 GHAALO Cc1c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)sc2nc(C3CC3)nc(C)c12 ZINC000012770234 571021995 /nfs/dbraw/zinc/02/19/95/571021995.db2.gz FZHZWBZGZWLBLN-UHFFFAOYSA-N 1 2 399.545 3.882 50 0 GHAALO Cc1ccc2c(c1)-c1onc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c1CO2 ZINC000015677622 571043936 /nfs/dbraw/zinc/04/39/36/571043936.db2.gz GSLFGWYDQCUSPH-UHFFFAOYSA-N 1 2 389.455 3.500 50 0 GHAALO C[C@H](C(=O)NCc1cc(-c2cccc(F)c2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000095356294 571052288 /nfs/dbraw/zinc/05/22/88/571052288.db2.gz KTPAQAHOZQYALQ-OAHLLOKOSA-N 1 2 379.435 3.544 50 0 GHAALO C[C@H](C(=O)NCc1cc(-c2cccc(F)c2)no1)[N@H+]1CCc2ccccc2C1 ZINC000095356294 571052291 /nfs/dbraw/zinc/05/22/91/571052291.db2.gz KTPAQAHOZQYALQ-OAHLLOKOSA-N 1 2 379.435 3.544 50 0 GHAALO O=C(CSc1ccccc1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095497392 571074527 /nfs/dbraw/zinc/07/45/27/571074527.db2.gz YAZZVVZLBGWZBX-UHFFFAOYSA-N 1 2 392.528 3.825 50 0 GHAALO O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095499294 571075311 /nfs/dbraw/zinc/07/53/11/571075311.db2.gz DDEABELLSVJFNR-LJQANCHMSA-N 1 2 385.471 3.828 50 0 GHAALO O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095510027 571081770 /nfs/dbraw/zinc/08/17/70/571081770.db2.gz ONKVARVUIXUEAI-GOSISDBHSA-N 1 2 376.460 3.968 50 0 GHAALO COc1cccc(NC(=O)CCC2CC[NH+](Cc3noc(C4CC4)n3)CC2)c1 ZINC000095518111 571085195 /nfs/dbraw/zinc/08/51/95/571085195.db2.gz VLJRWRSFDYIYKG-UHFFFAOYSA-N 1 2 384.480 3.587 50 0 GHAALO O=C(NCc1ccn2cc[nH+]c2c1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000177767400 837160810 /nfs/dbraw/zinc/16/08/10/837160810.db2.gz XXAAVJMHDUHYCZ-UHFFFAOYSA-N 1 2 375.259 3.909 50 0 GHAALO Cc1ccc(C2(c3noc(C[N@@H+](C)CCc4cnn(C)c4)n3)CCCC2)cc1 ZINC000019741758 839830421 /nfs/dbraw/zinc/83/04/21/839830421.db2.gz VYHMUHUWSZDRNB-UHFFFAOYSA-N 1 2 379.508 3.646 50 0 GHAALO Cc1ccc(C2(c3noc(C[N@H+](C)CCc4cnn(C)c4)n3)CCCC2)cc1 ZINC000019741758 839830438 /nfs/dbraw/zinc/83/04/38/839830438.db2.gz VYHMUHUWSZDRNB-UHFFFAOYSA-N 1 2 379.508 3.646 50 0 GHAALO O=C(NCCCSCc1ccccc1F)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000584893710 841187575 /nfs/dbraw/zinc/18/75/75/841187575.db2.gz MTJNRLQZDFGOHQ-HNNXBMFYSA-N 1 2 376.501 3.761 50 0 GHAALO C[C@H]1CCC[C@H](c2ccccc2)[N@@H+]1Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000079058999 846029627 /nfs/dbraw/zinc/02/96/27/846029627.db2.gz ZKODRGLTEMAKPS-GOEBONIOSA-N 1 2 393.516 3.758 50 0 GHAALO C[C@H]1CCC[C@H](c2ccccc2)[N@H+]1Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000079058999 846029635 /nfs/dbraw/zinc/02/96/35/846029635.db2.gz ZKODRGLTEMAKPS-GOEBONIOSA-N 1 2 393.516 3.758 50 0 GHAALO O=C(Nc1ccccc1OC1CCCC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000156495718 853823955 /nfs/dbraw/zinc/82/39/55/853823955.db2.gz ZTALUDQSDXBMCC-SFHVURJKSA-N 1 2 387.524 3.727 50 0 GHAALO Cc1ccc(C(=O)C2CC[NH+](CC(=O)NC(=O)Nc3ccccc3)CC2)c(C)c1 ZINC000040086185 856653243 /nfs/dbraw/zinc/65/32/43/856653243.db2.gz GXONQMRPBDLXRE-UHFFFAOYSA-N 1 2 393.487 3.546 50 0 GHAALO O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000367953916 859274143 /nfs/dbraw/zinc/27/41/43/859274143.db2.gz XUKWIMYNEZTGCL-PZJWPPBQSA-N 1 2 377.444 3.821 50 0 GHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(O)cc4)C3)no2)cc1 ZINC000021724726 860924964 /nfs/dbraw/zinc/92/49/64/860924964.db2.gz RDUQYHWVTPUAQO-KRWDZBQOSA-N 1 2 392.459 3.601 50 0 GHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(O)cc4)C3)no2)cc1 ZINC000021724726 860924970 /nfs/dbraw/zinc/92/49/70/860924970.db2.gz RDUQYHWVTPUAQO-KRWDZBQOSA-N 1 2 392.459 3.601 50 0 GHAALO C[C@H](NC(=O)c1cccc(Cl)c1)[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000022460000 861125748 /nfs/dbraw/zinc/12/57/48/861125748.db2.gz CBSHKRGBEYFKGH-KSSFIOAISA-N 1 2 377.941 3.509 50 0 GHAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000022460125 861126008 /nfs/dbraw/zinc/12/60/08/861126008.db2.gz CZMIZBYRPHMXEY-GHTZIAJQSA-N 1 2 385.577 3.862 50 0 GHAALO CC(C)c1nc(C2([NH2+]C[C@@H](O)COc3ccc(Cl)cc3)CCCC2)no1 ZINC000174242956 865614688 /nfs/dbraw/zinc/61/46/88/865614688.db2.gz LGCNJVJVTRYWQL-OAHLLOKOSA-N 1 2 379.888 3.645 50 0 GHAALO COc1cccc(CC(=O)N2CCC(n3c(C)c[nH+]c3-c3cccnc3)CC2)c1 ZINC000575550583 866190113 /nfs/dbraw/zinc/19/01/13/866190113.db2.gz RSHMTDSIWXACHT-UHFFFAOYSA-N 1 2 390.487 3.668 50 0 GHAALO COCCCn1c(C)cc(C(=O)NCCn2c(C)c[nH+]c2-c2ccccc2)c1C ZINC000575556558 866200217 /nfs/dbraw/zinc/20/02/17/866200217.db2.gz IMWPARWLHHSYPS-UHFFFAOYSA-N 1 2 394.519 3.743 50 0 GHAALO O=C(C1CCOCC1)N1CCC(Cc2ccc(COc3cc[nH+]cc3)cc2)CC1 ZINC000581810445 870043463 /nfs/dbraw/zinc/04/34/63/870043463.db2.gz TWSYPSQSBRKWEB-UHFFFAOYSA-N 1 2 394.515 3.868 50 0 GHAALO CNC(=O)c1ccc(NC(=O)[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)c(C)c1 ZINC000952971953 904650393 /nfs/dbraw/zinc/65/03/93/904650393.db2.gz PKINSYMFGCPIDM-FQEVSTJZSA-N 1 2 383.467 3.659 50 0 GHAALO Cc1cccn2c(CC(=O)Nc3ccc(OC[C@@H]4CCCCO4)cc3)c[nH+]c12 ZINC000952977246 904656152 /nfs/dbraw/zinc/65/61/52/904656152.db2.gz BMYCGDMNBFEIDK-FQEVSTJZSA-N 1 2 379.460 3.772 50 0 GHAALO CCc1noc([C@H](C)N2CC[NH+](Cc3ccccc3Oc3cccnc3)CC2)n1 ZINC000106136410 905603332 /nfs/dbraw/zinc/60/33/32/905603332.db2.gz QMCITPIUTBKRSY-KRWDZBQOSA-N 1 2 393.491 3.698 50 0 GHAALO CCC[C@H](NC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000096845244 915091457 /nfs/dbraw/zinc/09/14/57/915091457.db2.gz MDIWAWXOYHFLLI-KKFNYGJBSA-N 1 2 391.559 3.975 50 0 GHAALO O=C(CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2)NCCc1cccs1 ZINC000032752925 230917052 /nfs/dbraw/zinc/91/70/52/230917052.db2.gz HZUOMAYWBMYWSG-UHFFFAOYSA-N 1 2 386.477 3.763 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(CCc2ccccn2)cc1)C1CC1 ZINC000426484812 231225924 /nfs/dbraw/zinc/22/59/24/231225924.db2.gz OQWACQLDNDNCFV-HXUWFJFHSA-N 1 2 375.476 3.873 50 0 GHAALO O=C1NC2(C[C@H]1c1ccccc1)CCN(c1cc(C(F)(F)F)cc[nH+]1)CC2 ZINC000426509337 231232492 /nfs/dbraw/zinc/23/24/92/231232492.db2.gz HQEFCMYLLZDXSP-INIZCTEOSA-N 1 2 375.394 3.743 50 0 GHAALO Cc1nn(C(C)C)c(C)c1CN(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000426615622 231246416 /nfs/dbraw/zinc/24/64/16/231246416.db2.gz YHPUKQATLVYFGB-NRFANRHFSA-N 1 2 394.523 3.860 50 0 GHAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000004952509 204095863 /nfs/dbraw/zinc/09/58/63/204095863.db2.gz GGWIRFNZBSYJCL-UHFFFAOYSA-N 1 2 392.286 3.633 50 0 GHAALO Clc1cccc(OCc2cccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)c2)c1 ZINC000006402401 204177712 /nfs/dbraw/zinc/17/77/12/204177712.db2.gz RLLLEJMSLCSPSX-UHFFFAOYSA-N 1 2 376.807 3.900 50 0 GHAALO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000006561655 204183364 /nfs/dbraw/zinc/18/33/64/204183364.db2.gz CRUUJIPDLIMTRC-MRXNPFEDSA-N 1 2 389.521 3.656 50 0 GHAALO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000006561655 204183369 /nfs/dbraw/zinc/18/33/69/204183369.db2.gz CRUUJIPDLIMTRC-MRXNPFEDSA-N 1 2 389.521 3.656 50 0 GHAALO Cc1ccc2c(c1)C1=C(C3=C([NH+]4CCOCC4)CCN(C3)C1=S)C(C)(C)N2 ZINC000009061347 204298386 /nfs/dbraw/zinc/29/83/86/204298386.db2.gz LMMKVHZGDBSSBC-UHFFFAOYSA-N 1 2 381.545 3.586 50 0 GHAALO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1C ZINC000008882537 204292697 /nfs/dbraw/zinc/29/26/97/204292697.db2.gz QCLTWWUFRICVGO-KRWDZBQOSA-N 1 2 382.460 3.625 50 0 GHAALO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1C ZINC000008882537 204292698 /nfs/dbraw/zinc/29/26/98/204292698.db2.gz QCLTWWUFRICVGO-KRWDZBQOSA-N 1 2 382.460 3.625 50 0 GHAALO C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000009154125 204301168 /nfs/dbraw/zinc/30/11/68/204301168.db2.gz IHYMWRFBXISHFN-FZKQIMNGSA-N 1 2 387.842 3.886 50 0 GHAALO CC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)CC1 ZINC000009265328 204304517 /nfs/dbraw/zinc/30/45/17/204304517.db2.gz ZNYRNHVSKJFJFI-UHFFFAOYSA-N 1 2 395.434 3.602 50 0 GHAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000009377487 204310141 /nfs/dbraw/zinc/31/01/41/204310141.db2.gz DQFSCEWHKZNPRU-SFHVURJKSA-N 1 2 391.471 3.734 50 0 GHAALO COc1ccc2c(CC(=O)N[C@H](c3[nH+]ccn3C)c3ccccc3)coc2c1 ZINC000009512966 204314068 /nfs/dbraw/zinc/31/40/68/204314068.db2.gz FWKNFDODXCITGI-NRFANRHFSA-N 1 2 375.428 3.623 50 0 GHAALO C[C@@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000010164049 204331444 /nfs/dbraw/zinc/33/14/44/204331444.db2.gz DWVOTJRCCWJEDJ-CQSZACIVSA-N 1 2 397.862 3.717 50 0 GHAALO Cc1nc([C@H](C)NC(=O)c2cc(C[N@H+](C)Cc3ccccc3)on2)c(C)s1 ZINC000011817879 204353876 /nfs/dbraw/zinc/35/38/76/204353876.db2.gz VLIRKKSTPKZDEL-ZDUSSCGKSA-N 1 2 384.505 3.871 50 0 GHAALO Cc1nc([C@H](C)NC(=O)c2cc(C[N@@H+](C)Cc3ccccc3)on2)c(C)s1 ZINC000011817879 204353879 /nfs/dbraw/zinc/35/38/79/204353879.db2.gz VLIRKKSTPKZDEL-ZDUSSCGKSA-N 1 2 384.505 3.871 50 0 GHAALO CCOC(=O)C1(CC2CC2)CCN(C(=O)CCn2c(C)[nH+]c3ccccc32)CC1 ZINC000012192429 204381235 /nfs/dbraw/zinc/38/12/35/204381235.db2.gz HKYFARBQKICADX-UHFFFAOYSA-N 1 2 397.519 3.707 50 0 GHAALO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2nccn2CC)CC1 ZINC000012305858 204394479 /nfs/dbraw/zinc/39/44/79/204394479.db2.gz PRCXFYOHUYVIBG-UHFFFAOYSA-N 1 2 389.927 3.944 50 0 GHAALO COc1ccc2c(C(=O)C[N@@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)c[nH]c2c1 ZINC000035843139 204997604 /nfs/dbraw/zinc/99/76/04/204997604.db2.gz MDDRJWIFXNOPNQ-KRWDZBQOSA-N 1 2 377.488 3.878 50 0 GHAALO COc1ccc2c(C(=O)C[N@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)c[nH]c2c1 ZINC000035843139 204997608 /nfs/dbraw/zinc/99/76/08/204997608.db2.gz MDDRJWIFXNOPNQ-KRWDZBQOSA-N 1 2 377.488 3.878 50 0 GHAALO Cc1ccc(C2(C(=O)N3CC[NH+](Cc4cccc(F)c4)CC3)CCOCC2)cc1 ZINC000072264683 205029589 /nfs/dbraw/zinc/02/95/89/205029589.db2.gz CPVVJWWWYRRGHO-UHFFFAOYSA-N 1 2 396.506 3.527 50 0 GHAALO CC1(C)C[C@@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2O1 ZINC000044918593 205091548 /nfs/dbraw/zinc/09/15/48/205091548.db2.gz CTLBWYCNFWPFBB-HXUWFJFHSA-N 1 2 380.488 3.551 50 0 GHAALO COc1ccc([C@H]2CC(=O)Nc3c2cnn3C(C)(C)C)cc1C[NH+]1CCOCC1 ZINC000049546182 205129088 /nfs/dbraw/zinc/12/90/88/205129088.db2.gz LFCXJYSTEOQUPU-QGZVFWFLSA-N 1 2 398.507 3.603 50 0 GHAALO O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000048260199 205117100 /nfs/dbraw/zinc/11/71/00/205117100.db2.gz NTQBZQOCFOOZHC-UHFFFAOYSA-N 1 2 398.869 3.827 50 0 GHAALO CCOc1ccc(C[N@H+](C)Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000048368563 205122613 /nfs/dbraw/zinc/12/26/13/205122613.db2.gz FWUVURNHBPNKJV-UHFFFAOYSA-N 1 2 391.397 3.712 50 0 GHAALO CCOc1ccc(C[N@@H+](C)Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000048368563 205122617 /nfs/dbraw/zinc/12/26/17/205122617.db2.gz FWUVURNHBPNKJV-UHFFFAOYSA-N 1 2 391.397 3.712 50 0 GHAALO O=C(Nc1cccc(C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)c1)C1CC1 ZINC000057825415 205160384 /nfs/dbraw/zinc/16/03/84/205160384.db2.gz YLCDLMXBGCRZRM-QFIPXVFZSA-N 1 2 391.515 3.879 50 0 GHAALO CCN(CC)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000058013840 205162126 /nfs/dbraw/zinc/16/21/26/205162126.db2.gz KFNKIUHOCACMHV-OAQYLSRUSA-N 1 2 388.533 3.581 50 0 GHAALO CCN(CC)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000058013840 205162129 /nfs/dbraw/zinc/16/21/29/205162129.db2.gz KFNKIUHOCACMHV-OAQYLSRUSA-N 1 2 388.533 3.581 50 0 GHAALO C[C@H](C(=O)N(C)C)[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067689208 205254163 /nfs/dbraw/zinc/25/41/63/205254163.db2.gz LPOIBWPXIPRRKY-MRXNPFEDSA-N 1 2 375.472 3.843 50 0 GHAALO C[C@H](C(=O)N(C)C)[N@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067689208 205254167 /nfs/dbraw/zinc/25/41/67/205254167.db2.gz LPOIBWPXIPRRKY-MRXNPFEDSA-N 1 2 375.472 3.843 50 0 GHAALO Cc1ccsc1CCNC(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)on1 ZINC000067677102 205254348 /nfs/dbraw/zinc/25/43/48/205254348.db2.gz IXSDGXZTFBOEOQ-UHFFFAOYSA-N 1 2 380.473 3.723 50 0 GHAALO CNC(=O)[C@H](C)[N@@H+]1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067878399 205266202 /nfs/dbraw/zinc/26/62/02/205266202.db2.gz DRORMYBEZXCMAD-ZDUSSCGKSA-N 1 2 382.485 3.603 50 0 GHAALO CNC(=O)[C@H](C)[N@H+]1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067878399 205266206 /nfs/dbraw/zinc/26/62/06/205266206.db2.gz DRORMYBEZXCMAD-ZDUSSCGKSA-N 1 2 382.485 3.603 50 0 GHAALO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@@H+](Cc1cnc(OC)nc1)C2 ZINC000067490878 205248055 /nfs/dbraw/zinc/24/80/55/205248055.db2.gz JSKBNVIWRHSMKU-UHFFFAOYSA-N 1 2 397.500 3.925 50 0 GHAALO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@H+](Cc1cnc(OC)nc1)C2 ZINC000067490878 205248058 /nfs/dbraw/zinc/24/80/58/205248058.db2.gz JSKBNVIWRHSMKU-UHFFFAOYSA-N 1 2 397.500 3.925 50 0 GHAALO CC(=O)N1CCC([N@@H+]2Cc3ccccc3-n3cccc3[C@H]2c2ccco2)CC1 ZINC000071788925 205297020 /nfs/dbraw/zinc/29/70/20/205297020.db2.gz SIHIRQJXQQROCM-QHCPKHFHSA-N 1 2 375.472 3.986 50 0 GHAALO CC(=O)N1CCC([N@H+]2Cc3ccccc3-n3cccc3[C@H]2c2ccco2)CC1 ZINC000071788925 205297025 /nfs/dbraw/zinc/29/70/25/205297025.db2.gz SIHIRQJXQQROCM-QHCPKHFHSA-N 1 2 375.472 3.986 50 0 GHAALO COc1ccc(OC)c(C[NH+]2CCN(c3nc(C(F)(F)F)cs3)CC2)c1 ZINC000079109336 205381959 /nfs/dbraw/zinc/38/19/59/205381959.db2.gz KYJSIAAJNJFXBK-UHFFFAOYSA-N 1 2 387.427 3.501 50 0 GHAALO Cc1ccc2sc(N(CCC[NH+]3CCOCC3)C(=O)c3ccco3)nc2c1C ZINC000022997930 205965836 /nfs/dbraw/zinc/96/58/36/205965836.db2.gz SUVLKXWLOCKPRD-UHFFFAOYSA-N 1 2 399.516 3.875 50 0 GHAALO CC[C@@H](C(=O)NC1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1)c1ccccc1 ZINC000225739936 206072395 /nfs/dbraw/zinc/07/23/95/206072395.db2.gz RFCBVOJENYNTGS-HXUWFJFHSA-N 1 2 392.547 3.943 50 0 GHAALO Brc1cc2c(cc1C[N@@H+]1CCO[C@H]3CCCC[C@H]31)OCCCO2 ZINC000230223301 206112743 /nfs/dbraw/zinc/11/27/43/206112743.db2.gz WNHIANVZWXALMM-CVEARBPZSA-N 1 2 382.298 3.754 50 0 GHAALO Brc1cc2c(cc1C[N@H+]1CCO[C@H]3CCCC[C@H]31)OCCCO2 ZINC000230223301 206112746 /nfs/dbraw/zinc/11/27/46/206112746.db2.gz WNHIANVZWXALMM-CVEARBPZSA-N 1 2 382.298 3.754 50 0 GHAALO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(F)cc3F)[NH+](C)C)no2)cc1 ZINC000252483385 206138526 /nfs/dbraw/zinc/13/85/26/206138526.db2.gz FAFJIUUHHKNTPA-IBGZPJMESA-N 1 2 385.414 3.961 50 0 GHAALO COc1cc(NC(=O)C[N@H+](C)[C@H](C)c2cc(-c3ccccc3)n[nH]2)cc(OC)c1 ZINC000252486698 206139506 /nfs/dbraw/zinc/13/95/06/206139506.db2.gz HORPSXSUSXKVCO-OAHLLOKOSA-N 1 2 394.475 3.725 50 0 GHAALO COc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2cc(-c3ccccc3)n[nH]2)cc(OC)c1 ZINC000252486698 206139510 /nfs/dbraw/zinc/13/95/10/206139510.db2.gz HORPSXSUSXKVCO-OAHLLOKOSA-N 1 2 394.475 3.725 50 0 GHAALO CC(C)Cc1ccc(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000058803684 136155719 /nfs/dbraw/zinc/15/57/19/136155719.db2.gz GLKMBXFMHWIESP-UHFFFAOYSA-N 1 2 379.504 3.592 50 0 GHAALO CC[C@@H](C)c1nc(N2CCN(C(C)=O)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000096317064 136186497 /nfs/dbraw/zinc/18/64/97/136186497.db2.gz KRWIKRWLPGKVLX-OAHLLOKOSA-N 1 2 384.499 3.697 50 0 GHAALO Cc1cc(N2CCN(C(=O)/C=C/c3ccccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000016103114 136202016 /nfs/dbraw/zinc/20/20/16/136202016.db2.gz OWJXRFWWAKPGLX-CMDGGOBGSA-N 1 2 384.911 3.924 50 0 GHAALO CC(=O)N1CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1 ZINC000019840938 570224702 /nfs/dbraw/zinc/22/47/02/570224702.db2.gz SFOAJVUQAYZUCF-UHFFFAOYSA-N 1 2 388.515 3.820 50 0 GHAALO CC(C)Cc1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)C2)n[nH]1 ZINC000019884485 570227525 /nfs/dbraw/zinc/22/75/25/570227525.db2.gz KSBXGKKMEATHIR-OAQYLSRUSA-N 1 2 399.558 3.534 50 0 GHAALO CC(C)Cc1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)[nH]n1 ZINC000019884485 570227528 /nfs/dbraw/zinc/22/75/28/570227528.db2.gz KSBXGKKMEATHIR-OAQYLSRUSA-N 1 2 399.558 3.534 50 0 GHAALO CC(C)Cc1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)[nH]n1 ZINC000019884485 570227531 /nfs/dbraw/zinc/22/75/31/570227531.db2.gz KSBXGKKMEATHIR-OAQYLSRUSA-N 1 2 399.558 3.534 50 0 GHAALO O=C(NCCCNc1cccc[nH+]1)Nc1cccc(-c2nc(C3CC3)no2)c1 ZINC000048303313 570232127 /nfs/dbraw/zinc/23/21/27/570232127.db2.gz YTERKUNYCHPBDN-UHFFFAOYSA-N 1 2 378.436 3.633 50 0 GHAALO CCOc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 ZINC000019943011 570232848 /nfs/dbraw/zinc/23/28/48/570232848.db2.gz HWDXACNMAKCENC-KRWDZBQOSA-N 1 2 383.444 3.625 50 0 biogenic GHAALO CCOc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1 ZINC000019943011 570232851 /nfs/dbraw/zinc/23/28/51/570232851.db2.gz HWDXACNMAKCENC-KRWDZBQOSA-N 1 2 383.444 3.625 50 0 biogenic GHAALO COc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C[N@H+](C(C)C)CC3 ZINC000020289851 570251113 /nfs/dbraw/zinc/25/11/13/570251113.db2.gz CISIHLUKFIDIMS-UHFFFAOYSA-N 1 2 396.516 3.906 50 0 GHAALO COc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C[N@@H+](C(C)C)CC3 ZINC000020289851 570251115 /nfs/dbraw/zinc/25/11/15/570251115.db2.gz CISIHLUKFIDIMS-UHFFFAOYSA-N 1 2 396.516 3.906 50 0 GHAALO Cc1ccc(Cl)cc1NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020395638 570254359 /nfs/dbraw/zinc/25/43/59/570254359.db2.gz HODOWFYNBMCQIQ-VMPITWQZSA-N 1 2 383.923 3.918 50 0 GHAALO O=C(Nc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000020419410 570255157 /nfs/dbraw/zinc/25/51/57/570255157.db2.gz HWAKTEHNSQLDBP-UHFFFAOYSA-N 1 2 399.494 3.897 50 0 GHAALO COc1ccc(CC(=O)Nc2cccc3ccc(-n4cc[nH+]c4)nc32)cc1OC ZINC000049028052 570260132 /nfs/dbraw/zinc/26/01/32/570260132.db2.gz NDRHCIRBNUQPIR-UHFFFAOYSA-N 1 2 388.427 3.619 50 0 GHAALO Cc1ccc2[nH]c(CNC(=O)N3CCCC[C@@H]3CCn3cc[nH+]c3)nc2c1C ZINC000584902146 570271490 /nfs/dbraw/zinc/27/14/90/570271490.db2.gz AQVIXMGYEBBTTN-QGZVFWFLSA-N 1 2 380.496 3.531 50 0 GHAALO Cc1ccc2nc(CNC(=O)N3CCCC[C@@H]3CCn3cc[nH+]c3)[nH]c2c1C ZINC000584902146 570271494 /nfs/dbraw/zinc/27/14/94/570271494.db2.gz AQVIXMGYEBBTTN-QGZVFWFLSA-N 1 2 380.496 3.531 50 0 GHAALO CSc1ccc(Cl)c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000021935063 570299922 /nfs/dbraw/zinc/29/99/22/570299922.db2.gz JVOOMEPRAJWTJL-UHFFFAOYSA-N 1 2 390.936 3.824 50 0 GHAALO O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000022010219 570301519 /nfs/dbraw/zinc/30/15/19/570301519.db2.gz DIYYCMXMRZACON-HSZRJFAPSA-N 1 2 387.483 3.894 50 0 GHAALO Cc1ccc(-c2noc([C@@H](C)[NH+]3CCN(c4ccc(O)cc4)CC3)n2)cc1F ZINC000022514894 570319333 /nfs/dbraw/zinc/31/93/33/570319333.db2.gz KFHBAGMOZZTIMY-OAHLLOKOSA-N 1 2 382.439 3.773 50 0 GHAALO Cc1cc(CN2CC[NH+](Cc3ccncc3)CC2)c(C)n1-c1ccnn1C(C)C ZINC000022788505 570327839 /nfs/dbraw/zinc/32/78/39/570327839.db2.gz VFNLHBUBBXGDDE-UHFFFAOYSA-N 1 2 392.551 3.584 50 0 GHAALO O=c1c(C[NH+]2CCOCC2)cc2ccc(Cl)cc2n1CCOc1ccccc1 ZINC000023368026 570357320 /nfs/dbraw/zinc/35/73/20/570357320.db2.gz XNGXJYTUWAGZAN-UHFFFAOYSA-N 1 2 398.890 3.566 50 0 GHAALO C[N@@H+](Cc1ccccc1N1CCCCC1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000023653745 570368896 /nfs/dbraw/zinc/36/88/96/570368896.db2.gz MKSCJMRDKXXBBM-UHFFFAOYSA-N 1 2 398.551 3.711 50 0 GHAALO C[N@H+](Cc1ccccc1N1CCCCC1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000023653745 570368898 /nfs/dbraw/zinc/36/88/98/570368898.db2.gz MKSCJMRDKXXBBM-UHFFFAOYSA-N 1 2 398.551 3.711 50 0 GHAALO Cc1ccc(C(=O)CCC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1 ZINC000023779081 570372422 /nfs/dbraw/zinc/37/24/22/570372422.db2.gz QYWUMCXNQVMAAE-OAQYLSRUSA-N 1 2 379.435 3.736 50 0 GHAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC000023865110 570374019 /nfs/dbraw/zinc/37/40/19/570374019.db2.gz RPBLUXIXEYRGCM-QHCPKHFHSA-N 1 2 389.499 3.589 50 0 GHAALO O=C(/C=C\c1ccc(OC(F)F)cc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000033580351 570380870 /nfs/dbraw/zinc/38/08/70/570380870.db2.gz DJZQJXSBMBRNDI-TWGQIWQCSA-N 1 2 390.405 3.785 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CSCCc1ccccc1)c1cccc(F)c1 ZINC000024830595 570394745 /nfs/dbraw/zinc/39/47/45/570394745.db2.gz QZHMRSKNELOGRP-FQEVSTJZSA-N 1 2 383.492 3.741 50 0 GHAALO COc1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000025415586 570413143 /nfs/dbraw/zinc/41/31/43/570413143.db2.gz IOTKPGPOIDSXSI-IBGZPJMESA-N 1 2 379.909 3.959 50 0 GHAALO COc1ccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000025415586 570413144 /nfs/dbraw/zinc/41/31/44/570413144.db2.gz IOTKPGPOIDSXSI-IBGZPJMESA-N 1 2 379.909 3.959 50 0 GHAALO O=C(CCc1ncc(-c2ccccc2)o1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000013003959 570414651 /nfs/dbraw/zinc/41/46/51/570414651.db2.gz ZDOCVOQLPFZEJG-UHFFFAOYSA-N 1 2 376.460 3.586 50 0 GHAALO CCOC(=O)c1ccsc1NC(=O)C[N@H+](CC)Cc1ccc(OC)c(F)c1 ZINC000013008876 570416188 /nfs/dbraw/zinc/41/61/88/570416188.db2.gz XQSWTXLJVGBZFM-UHFFFAOYSA-N 1 2 394.468 3.533 50 0 GHAALO CCOC(=O)c1ccsc1NC(=O)C[N@@H+](CC)Cc1ccc(OC)c(F)c1 ZINC000013008876 570416191 /nfs/dbraw/zinc/41/61/91/570416191.db2.gz XQSWTXLJVGBZFM-UHFFFAOYSA-N 1 2 394.468 3.533 50 0 GHAALO CC(C)COc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000028291013 570456134 /nfs/dbraw/zinc/45/61/34/570456134.db2.gz UQEKSLPNMGZORN-QFIPXVFZSA-N 1 2 382.504 3.525 50 0 GHAALO CNc1nc(N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)[nH+]cc1Br ZINC000133806098 570468813 /nfs/dbraw/zinc/46/88/13/570468813.db2.gz SWJFPPIABMMIBP-STQMWFEESA-N 1 2 385.212 3.501 50 0 GHAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=S)NC2CCCCC2)CC1 ZINC000022785100 570546929 /nfs/dbraw/zinc/54/69/29/570546929.db2.gz FHZWVYZVDJZMJA-QFBILLFUSA-N 1 2 394.654 3.612 50 0 GHAALO COc1cccc(C(=O)[C@@H]2CCCN(C(=O)c3cccc(-c4[nH]cc[nH+]4)c3)C2)c1 ZINC000012447463 570667338 /nfs/dbraw/zinc/66/73/38/570667338.db2.gz MVRONUJWWBOFMW-LJQANCHMSA-N 1 2 389.455 3.820 50 0 GHAALO COc1ccc(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000000882862 570703773 /nfs/dbraw/zinc/70/37/73/570703773.db2.gz HNZLGDQGAVVOGJ-UHFFFAOYSA-N 1 2 376.441 3.799 50 0 GHAALO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000017521546 570705601 /nfs/dbraw/zinc/70/56/01/570705601.db2.gz VFYVRKAPUCPRAO-MRXNPFEDSA-N 1 2 395.406 3.507 50 0 GHAALO CN(Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1[nH]cc[nH+]1 ZINC000013596490 570761438 /nfs/dbraw/zinc/76/14/38/570761438.db2.gz CVUXZONGLNYKRY-UHFFFAOYSA-N 1 2 387.443 3.623 50 0 GHAALO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1ncc[nH]1 ZINC000013596490 570761441 /nfs/dbraw/zinc/76/14/41/570761441.db2.gz CVUXZONGLNYKRY-UHFFFAOYSA-N 1 2 387.443 3.623 50 0 GHAALO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1ncc[nH]1 ZINC000013596490 570761446 /nfs/dbraw/zinc/76/14/46/570761446.db2.gz CVUXZONGLNYKRY-UHFFFAOYSA-N 1 2 387.443 3.623 50 0 GHAALO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)c(F)c1 ZINC000052686913 570777010 /nfs/dbraw/zinc/77/70/10/570777010.db2.gz KMRQKQAPUGIVFS-UHFFFAOYSA-N 1 2 378.451 3.536 50 0 GHAALO O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000013720560 570779948 /nfs/dbraw/zinc/77/99/48/570779948.db2.gz KMMKXNWDLQBZMX-UHFFFAOYSA-N 1 2 398.919 3.750 50 0 GHAALO N=c1c2c(ncn1CCCn1cc[nH+]c1)Oc1cc(O)ccc1[C@H]2c1ccccc1 ZINC000101120140 570815306 /nfs/dbraw/zinc/81/53/06/570815306.db2.gz OGZUHSJZRWFLIX-HXUWFJFHSA-N 1 2 399.454 3.641 50 0 GHAALO CCc1[nH+]c2ccccc2n1CC(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000012529463 570833170 /nfs/dbraw/zinc/83/31/70/570833170.db2.gz PPAHFWWQHWMRFT-UHFFFAOYSA-N 1 2 376.504 3.858 50 0 GHAALO O=C(c1ccc(OCc2ccccc2)cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000014251583 570838528 /nfs/dbraw/zinc/83/85/28/570838528.db2.gz KTBRKCFQGLBEHD-UHFFFAOYSA-N 1 2 376.456 3.817 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(Cl)cc1 ZINC000012548225 570849785 /nfs/dbraw/zinc/84/97/85/570849785.db2.gz KQKRKVRIAIFMNN-LJQANCHMSA-N 1 2 391.862 3.983 50 0 GHAALO Cc1cc(-c2csc(C[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)n2)on1 ZINC000170600738 570859125 /nfs/dbraw/zinc/85/91/25/570859125.db2.gz JBKJXNYLHHPHQZ-UHFFFAOYSA-N 1 2 378.498 3.596 50 0 GHAALO Cc1ccccc1N1CC[N@H+](Cc2nc(Cc3cccc(F)c3)no2)[C@@H](C)C1 ZINC000015062330 570874601 /nfs/dbraw/zinc/87/46/01/570874601.db2.gz YKSSSSNGVNBDIJ-KRWDZBQOSA-N 1 2 380.467 3.819 50 0 GHAALO Cc1ccccc1N1CC[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)[C@@H](C)C1 ZINC000015062330 570874604 /nfs/dbraw/zinc/87/46/04/570874604.db2.gz YKSSSSNGVNBDIJ-KRWDZBQOSA-N 1 2 380.467 3.819 50 0 GHAALO Cc1cc2[nH+]cn(C[C@H](O)CSc3ccc4c(c3)OCCCO4)c2cc1C ZINC000051181371 570874638 /nfs/dbraw/zinc/87/46/38/570874638.db2.gz ZNIRWTXJYJJKBT-INIZCTEOSA-N 1 2 384.501 3.968 50 0 GHAALO Cc1nn(-c2ccc(C(=O)NCCc3cn4ccccc4[nH+]3)cc2)c(C)c1Cl ZINC000012577912 570876194 /nfs/dbraw/zinc/87/61/94/570876194.db2.gz VPPDROKWUYMJEM-UHFFFAOYSA-N 1 2 393.878 3.763 50 0 GHAALO CN(CC[NH+]1CCOCC1)C(=O)C[C@@H](c1ccccc1)c1ccccc1Cl ZINC000015075584 570878369 /nfs/dbraw/zinc/87/83/69/570878369.db2.gz SPDHXVPAWSGAMR-FQEVSTJZSA-N 1 2 386.923 3.653 50 0 GHAALO CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000013323445 570894985 /nfs/dbraw/zinc/89/49/85/570894985.db2.gz LFEXKAZBKSPLLE-PMACEKPBSA-N 1 2 375.532 3.669 50 0 GHAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1ccc(-c2cnc(N)c(Cl)c2)cc1 ZINC000534577290 570901737 /nfs/dbraw/zinc/90/17/37/570901737.db2.gz BLMZSVGJRHEANM-UHFFFAOYSA-N 1 2 383.883 3.770 50 0 GHAALO Cc1ccc([C@H](CNC(=O)c2cccc(C(F)(F)F)c2)[NH+]2CCOCC2)cc1 ZINC000023105772 570904719 /nfs/dbraw/zinc/90/47/19/570904719.db2.gz JJUPYOCWEHDRJU-IBGZPJMESA-N 1 2 392.421 3.817 50 0 GHAALO Cc1ccc([C@@H](CNC(=O)Cc2cccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000023105845 570904955 /nfs/dbraw/zinc/90/49/55/570904955.db2.gz ICCVQRKZHJYLQC-XMMPIXPASA-N 1 2 388.511 3.880 50 0 GHAALO COc1cccc(C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCOCC2)c1 ZINC000023106454 570905348 /nfs/dbraw/zinc/90/53/48/570905348.db2.gz KPTPOCYDLHSFJI-HSZRJFAPSA-N 1 2 390.483 3.652 50 0 GHAALO CNc1[nH+]c(C)ccc1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000032928554 570941221 /nfs/dbraw/zinc/94/12/21/570941221.db2.gz LUTOABLGAFKPBH-SNVBAGLBSA-N 1 2 382.247 3.923 50 0 GHAALO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012790676 570948009 /nfs/dbraw/zinc/94/80/09/570948009.db2.gz YJEOTNNCCNPLTQ-HUUCEWRRSA-N 1 2 387.430 3.643 50 0 GHAALO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012790676 570948010 /nfs/dbraw/zinc/94/80/10/570948010.db2.gz YJEOTNNCCNPLTQ-HUUCEWRRSA-N 1 2 387.430 3.643 50 0 GHAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1ccccc1OC1CCCC1 ZINC000047600417 570965993 /nfs/dbraw/zinc/96/59/93/570965993.db2.gz ROMFSJBSPWDPEQ-UHFFFAOYSA-N 1 2 396.491 3.561 50 0 GHAALO O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000107157191 570972068 /nfs/dbraw/zinc/97/20/68/570972068.db2.gz UDFXPFALALUPSA-RTWAWAEBSA-N 1 2 395.890 3.547 50 0 GHAALO O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000107157191 570972070 /nfs/dbraw/zinc/97/20/70/570972070.db2.gz UDFXPFALALUPSA-RTWAWAEBSA-N 1 2 395.890 3.547 50 0 GHAALO O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000043781294 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GHAALO Cc1cc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)ccc1F ZINC000095517093 571084311 /nfs/dbraw/zinc/08/43/11/571084311.db2.gz HMSCTJOVVVUSIQ-UHFFFAOYSA-N 1 2 378.451 3.794 50 0 GHAALO Cc1ccc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)c(F)c1 ZINC000095522374 571087467 /nfs/dbraw/zinc/08/74/67/571087467.db2.gz PQMBKTGWRHXTBU-UHFFFAOYSA-N 1 2 378.451 3.794 50 0 GHAALO Cc1[nH]c(CN2CCC[C@H]2c2ccc(C(=O)NCCc3ccco3)s2)c[nH+]1 ZINC000023478550 837275105 /nfs/dbraw/zinc/27/51/05/837275105.db2.gz YLKYDVWNRKGDLE-KRWDZBQOSA-N 1 2 384.505 3.682 50 0 GHAALO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3ccc(-c4ccccc4)s3)C2)CC1 ZINC000175996242 841224165 /nfs/dbraw/zinc/22/41/65/841224165.db2.gz KIWVOOBWKBODRV-IBGZPJMESA-N 1 2 383.561 3.657 50 0 GHAALO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057406134 862079488 /nfs/dbraw/zinc/07/94/88/862079488.db2.gz OJHNJRKYWYBKCR-CQSZACIVSA-N 1 2 393.409 3.560 50 0 GHAALO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120366768 862750700 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GHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(O)cc4)C3)no2)cc1 ZINC000021724722 860925377 /nfs/dbraw/zinc/92/53/77/860925377.db2.gz RDUQYHWVTPUAQO-QGZVFWFLSA-N 1 2 392.459 3.601 50 0 GHAALO COCCCNC(=O)N1CCC(Cc2ccc(COc3cc[nH+]cc3)cc2)CC1 ZINC000575552697 866192244 /nfs/dbraw/zinc/19/22/44/866192244.db2.gz XBFOVCOQQXTWPS-UHFFFAOYSA-N 1 2 397.519 3.661 50 0 GHAALO Cc1c[nH+]c(-c2ccncc2)n1C[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000581808520 870040572 /nfs/dbraw/zinc/04/05/72/870040572.db2.gz XIPFXPVWUSDZMB-HXUWFJFHSA-N 1 2 389.503 3.875 50 0 GHAALO O=C(C[N@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccc(N2CCCCC2)nc1 ZINC000192940714 904348690 /nfs/dbraw/zinc/34/86/90/904348690.db2.gz MOMBGRFQTBVIDI-UHFFFAOYSA-N 1 2 392.503 3.505 50 0 GHAALO O=C(C[N@@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccc(N2CCCCC2)nc1 ZINC000192940714 904348698 /nfs/dbraw/zinc/34/86/98/904348698.db2.gz MOMBGRFQTBVIDI-UHFFFAOYSA-N 1 2 392.503 3.505 50 0 GHAALO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000004553072 204052195 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COc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310359 204270288 /nfs/dbraw/zinc/27/02/88/204270288.db2.gz DDASODWOWAUYTL-SFHVURJKSA-N 1 2 382.460 3.632 50 0 GHAALO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@H]3c3cccn3C)n2)cc1 ZINC000008327353 204272069 /nfs/dbraw/zinc/27/20/69/204272069.db2.gz IOAJZWZTZKZNAP-IBGZPJMESA-N 1 2 396.516 3.933 50 0 GHAALO COc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@H]3c3cccn3C)n2)cc1 ZINC000008327353 204272073 /nfs/dbraw/zinc/27/20/73/204272073.db2.gz IOAJZWZTZKZNAP-IBGZPJMESA-N 1 2 396.516 3.933 50 0 GHAALO COc1ccc2c(CC(=O)N[C@@H](c3[nH+]ccn3C)c3ccccc3)coc2c1 ZINC000009512964 204314289 /nfs/dbraw/zinc/31/42/89/204314289.db2.gz FWKNFDODXCITGI-OAQYLSRUSA-N 1 2 375.428 3.623 50 0 GHAALO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)CC(=O)Nc2cccc(N3CCCC3=O)c2)o1 ZINC000010229019 204331561 /nfs/dbraw/zinc/33/15/61/204331561.db2.gz VIGJOOBFSQPBRC-DNVCBOLYSA-N 1 2 381.476 3.600 50 0 GHAALO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CC(=O)Nc2cccc(N3CCCC3=O)c2)o1 ZINC000010229019 204331563 /nfs/dbraw/zinc/33/15/63/204331563.db2.gz VIGJOOBFSQPBRC-DNVCBOLYSA-N 1 2 381.476 3.600 50 0 GHAALO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)CC(=O)Nc2cccc(N3CCCC3=O)c2)o1 ZINC000010229018 204331961 /nfs/dbraw/zinc/33/19/61/204331961.db2.gz VIGJOOBFSQPBRC-KXBFYZLASA-N 1 2 381.476 3.600 50 0 GHAALO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)CC(=O)Nc2cccc(N3CCCC3=O)c2)o1 ZINC000010229018 204331964 /nfs/dbraw/zinc/33/19/64/204331964.db2.gz VIGJOOBFSQPBRC-KXBFYZLASA-N 1 2 381.476 3.600 50 0 GHAALO Cn1cc[nH+]c1CN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000011819459 204356151 /nfs/dbraw/zinc/35/61/51/204356151.db2.gz HDMOOTVQOZMNJY-HXUWFJFHSA-N 1 2 391.475 3.601 50 0 GHAALO CCC(CC)C(=O)N(CCOC)Cc1cc2ccc(OC)cc2[nH+]c1N(C)C ZINC000012279596 204389228 /nfs/dbraw/zinc/38/92/28/204389228.db2.gz DPUCOAIQLVDWPW-UHFFFAOYSA-N 1 2 387.524 3.721 50 0 GHAALO Cc1ccc(N2CC[N@H+](Cc3nc(COc4ccccc4)no3)[C@@H](C)C2)cc1 ZINC000012319597 204397742 /nfs/dbraw/zinc/39/77/42/204397742.db2.gz OMYVPACMLGHSSW-SFHVURJKSA-N 1 2 378.476 3.668 50 0 GHAALO Cc1ccc(N2CC[N@@H+](Cc3nc(COc4ccccc4)no3)[C@@H](C)C2)cc1 ZINC000012319597 204397745 /nfs/dbraw/zinc/39/77/45/204397745.db2.gz OMYVPACMLGHSSW-SFHVURJKSA-N 1 2 378.476 3.668 50 0 GHAALO CCOC(=O)N1CC[NH+]([C@@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000019878994 204690026 /nfs/dbraw/zinc/69/00/26/204690026.db2.gz ATNTWFJFUQKWTG-OAQYLSRUSA-N 1 2 378.476 3.735 50 0 GHAALO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1F)c1nc(-c2ccccn2)no1 ZINC000020918013 204744728 /nfs/dbraw/zinc/74/47/28/204744728.db2.gz VCSYFMKAYBPPPJ-NSHDSACASA-N 1 2 382.374 3.651 50 0 GHAALO COCc1ccccc1CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000029734947 204893855 /nfs/dbraw/zinc/89/38/55/204893855.db2.gz GRFQLSAXKFJZFF-LJQANCHMSA-N 1 2 398.894 3.809 50 0 GHAALO CC[C@@H](C)CN1C(=O)[C@@H](CC(C)C)[NH2+]C12CCN(C(=O)c1ccc(C)cc1)CC2 ZINC000036032660 205003253 /nfs/dbraw/zinc/00/32/53/205003253.db2.gz JKWQNYULLPTECA-WIYYLYMNSA-N 1 2 399.579 3.820 50 0 GHAALO Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000039995509 205045149 /nfs/dbraw/zinc/04/51/49/205045149.db2.gz DRPLSYIKISITGM-UHFFFAOYSA-N 1 2 389.569 3.780 50 0 GHAALO COc1ccccc1[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1[nH+]ccn1C ZINC000040013294 205045795 /nfs/dbraw/zinc/04/57/95/205045795.db2.gz JMKKFOKIFHRCSC-HSZRJFAPSA-N 1 2 389.499 3.756 50 0 GHAALO C[N@@H+]1CCN(C(=O)CCC(=O)c2ccc(Cl)s2)[C@@H](c2ccccc2)C1 ZINC000040050491 205047624 /nfs/dbraw/zinc/04/76/24/205047624.db2.gz URDBSIDYZVMLAX-OAHLLOKOSA-N 1 2 376.909 3.880 50 0 GHAALO C[N@H+]1CCN(C(=O)CCC(=O)c2ccc(Cl)s2)[C@@H](c2ccccc2)C1 ZINC000040050491 205047627 /nfs/dbraw/zinc/04/76/27/205047627.db2.gz URDBSIDYZVMLAX-OAHLLOKOSA-N 1 2 376.909 3.880 50 0 GHAALO O=C(Nc1ccc(OC(F)F)c(Cl)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000040103229 205052173 /nfs/dbraw/zinc/05/21/73/205052173.db2.gz LCGSPZTUNGBMME-UHFFFAOYSA-N 1 2 385.798 3.884 50 0 GHAALO CSc1ccc([C@H](CNC(=O)c2ccn[nH]2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000040142349 205056500 /nfs/dbraw/zinc/05/65/00/205056500.db2.gz NWVPQHBEQWTZMX-SFHVURJKSA-N 1 2 398.557 3.723 50 0 GHAALO CSc1ccc([C@H](CNC(=O)c2ccn[nH]2)[N@H+]2CCc3sccc3C2)cc1 ZINC000040142349 205056504 /nfs/dbraw/zinc/05/65/04/205056504.db2.gz NWVPQHBEQWTZMX-SFHVURJKSA-N 1 2 398.557 3.723 50 0 GHAALO Cc1nnc([C@@H](C)Sc2nnc(C[NH+]3CCCCC3)n2Cc2ccccc2)o1 ZINC000048186713 205114358 /nfs/dbraw/zinc/11/43/58/205114358.db2.gz XBCSKBXTRDWQMY-OAHLLOKOSA-N 1 2 398.536 3.857 50 0 GHAALO CCOc1ccc([C@H]2CCC[N@@H+]2CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000052584169 205133257 /nfs/dbraw/zinc/13/32/57/205133257.db2.gz ZWNTVOZAMRLSTL-COFLGROHSA-N 1 2 385.508 3.680 50 0 GHAALO CCOc1ccc([C@H]2CCC[N@H+]2CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000052584169 205133259 /nfs/dbraw/zinc/13/32/59/205133259.db2.gz ZWNTVOZAMRLSTL-COFLGROHSA-N 1 2 385.508 3.680 50 0 GHAALO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929430 205134329 /nfs/dbraw/zinc/13/43/29/205134329.db2.gz HQVQURZMNGQANV-JSGCOSHPSA-N 1 2 398.334 3.559 50 0 GHAALO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929430 205134331 /nfs/dbraw/zinc/13/43/31/205134331.db2.gz HQVQURZMNGQANV-JSGCOSHPSA-N 1 2 398.334 3.559 50 0 GHAALO O=C(C[NH+]1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1)NC1CCCC1 ZINC000054342308 205140271 /nfs/dbraw/zinc/14/02/71/205140271.db2.gz CLJDNGSYZNOIOV-UHFFFAOYSA-N 1 2 383.319 3.947 50 0 GHAALO COc1ccc(C[N@@H+]2CCOc3ccc([C@H](O)c4ccncc4)cc3C2)c(F)c1 ZINC000055575643 205148589 /nfs/dbraw/zinc/14/85/89/205148589.db2.gz HOZTVSKMTOINFT-HSZRJFAPSA-N 1 2 394.446 3.706 50 0 GHAALO COc1ccc(C[N@H+]2CCOc3ccc([C@H](O)c4ccncc4)cc3C2)c(F)c1 ZINC000055575643 205148590 /nfs/dbraw/zinc/14/85/90/205148590.db2.gz HOZTVSKMTOINFT-HSZRJFAPSA-N 1 2 394.446 3.706 50 0 GHAALO Clc1ccccc1OCc1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000057524648 205159580 /nfs/dbraw/zinc/15/95/80/205159580.db2.gz VCLUKQJISIEMPV-UHFFFAOYSA-N 1 2 377.901 3.794 50 0 GHAALO CCOc1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)ccc1OC ZINC000058152101 205163717 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CC(C)c1nnsc1C[N@@H+]1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 ZINC000067446695 205247074 /nfs/dbraw/zinc/24/70/74/205247074.db2.gz JRNAIJGDGYETDJ-UHFFFAOYSA-N 1 2 375.448 3.888 50 0 GHAALO CC(C)c1nnsc1C[N@H+]1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 ZINC000067446695 205247078 /nfs/dbraw/zinc/24/70/78/205247078.db2.gz JRNAIJGDGYETDJ-UHFFFAOYSA-N 1 2 375.448 3.888 50 0 GHAALO CCc1[nH]c2ccc(CNC(=O)[C@@H](Cc3c[nH+]c[nH]3)n3cccc3)cc2c1C ZINC000071551850 205285815 /nfs/dbraw/zinc/28/58/15/205285815.db2.gz KORJZOBAXXOITR-OAQYLSRUSA-N 1 2 375.476 3.664 50 0 GHAALO CCc1[nH]c2ccc(CNC(=O)[C@@H](Cc3c[nH]c[nH+]3)n3cccc3)cc2c1C ZINC000071551850 205285819 /nfs/dbraw/zinc/28/58/19/205285819.db2.gz KORJZOBAXXOITR-OAQYLSRUSA-N 1 2 375.476 3.664 50 0 GHAALO COc1ccc2cc([C@@H]3C[N@H+](Cc4ccc(N(C)C)nc4)CCO3)ccc2c1 ZINC000071749237 205289390 /nfs/dbraw/zinc/28/93/90/205289390.db2.gz XHWVCYWOXOISKF-QFIPXVFZSA-N 1 2 377.488 3.883 50 0 GHAALO COc1ccc2cc([C@@H]3C[N@@H+](Cc4ccc(N(C)C)nc4)CCO3)ccc2c1 ZINC000071749237 205289391 /nfs/dbraw/zinc/28/93/91/205289391.db2.gz XHWVCYWOXOISKF-QFIPXVFZSA-N 1 2 377.488 3.883 50 0 GHAALO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3snnc3C(C)C)C2)cc1F ZINC000071771694 205298032 /nfs/dbraw/zinc/29/80/32/205298032.db2.gz GZBFRCFAVQEKPD-CQSZACIVSA-N 1 2 377.485 3.904 50 0 GHAALO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3snnc3C(C)C)C2)cc1F ZINC000071771694 205298035 /nfs/dbraw/zinc/29/80/35/205298035.db2.gz GZBFRCFAVQEKPD-CQSZACIVSA-N 1 2 377.485 3.904 50 0 GHAALO COc1c(C)c[nH+]c(CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)c1C ZINC000071907304 205298403 /nfs/dbraw/zinc/29/84/03/205298403.db2.gz WSAHUYAFPMVZDT-QHCPKHFHSA-N 1 2 389.455 3.827 50 0 GHAALO COc1ccc(-c2nc3c(C)cccc3cc2C[N@@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000072454366 205353140 /nfs/dbraw/zinc/35/31/40/205353140.db2.gz ZKHBCEKNZSTVQX-INIZCTEOSA-N 1 2 375.472 3.539 50 0 GHAALO COc1ccc(-c2nc3c(C)cccc3cc2C[N@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000072454366 205353143 /nfs/dbraw/zinc/35/31/43/205353143.db2.gz ZKHBCEKNZSTVQX-INIZCTEOSA-N 1 2 375.472 3.539 50 0 GHAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC([C@@H](O)CCc2ccccc2)CC1 ZINC000077421497 205361949 /nfs/dbraw/zinc/36/19/49/205361949.db2.gz CJZSMLOZJJVNPW-QHCPKHFHSA-N 1 2 389.499 3.718 50 0 GHAALO Cc1cc2c(cc1CN1CCc3[nH+]c[nH]c3[C@H]1c1ccc(Cl)nc1)OCO2 ZINC000072424062 205348883 /nfs/dbraw/zinc/34/88/83/205348883.db2.gz NNHSFKBNQUJKQZ-HXUWFJFHSA-N 1 2 382.851 3.643 50 0 GHAALO COc1ccc(OC2CCN(C(=O)c3cccc(-c4[nH]cc[nH+]4)c3)CC2)cc1 ZINC000077489057 205364519 /nfs/dbraw/zinc/36/45/19/205364519.db2.gz CAFXVYVGEKGADR-UHFFFAOYSA-N 1 2 377.444 3.769 50 0 GHAALO O=C(C[NH+]1CCC(c2nnc(-c3ccsc3)o2)CC1)OCc1ccccc1 ZINC000096024436 206113999 /nfs/dbraw/zinc/11/39/99/206113999.db2.gz IZRBPHBEPIQOST-UHFFFAOYSA-N 1 2 383.473 3.721 50 0 GHAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)N1CCC[C@@H](c2ccccc2)C1 ZINC000299759091 206186270 /nfs/dbraw/zinc/18/62/70/206186270.db2.gz NPZFELUDPDCBKM-OAQYLSRUSA-N 1 2 379.504 3.930 50 0 GHAALO O=C(Nc1cccc2c1CCC2)N(CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000299780917 206189592 /nfs/dbraw/zinc/18/95/92/206189592.db2.gz AMYHSUFDKQVLKS-UHFFFAOYSA-N 1 2 375.476 3.891 50 0 GHAALO COc1cccnc1-c1cccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000426381388 533032996 /nfs/dbraw/zinc/03/29/96/533032996.db2.gz CMQBSZKOZIQJCS-LJQANCHMSA-N 1 2 378.476 3.798 50 0 GHAALO COc1ccc2[nH]c(CNC(=O)N3CCCC[C@@H]3CCn3cc[nH+]c3)cc2c1 ZINC000426701594 533233847 /nfs/dbraw/zinc/23/38/47/533233847.db2.gz KTAHIVFMGPXTDH-GOSISDBHSA-N 1 2 381.480 3.527 50 0 GHAALO CCC(=O)N1CCN(c2nc(C(C)C)[nH+]c(CC)c2Cc2ccccc2F)CC1 ZINC000096316804 136186291 /nfs/dbraw/zinc/18/62/91/136186291.db2.gz QGDWKTKPNRRXEJ-UHFFFAOYSA-N 1 2 398.526 3.951 50 0 GHAALO CCC(=O)N1CCN(c2nc(C(C)C)[nH+]c(C)c2Cc2ccc(C)cc2)CC1 ZINC000096317192 136186420 /nfs/dbraw/zinc/18/64/20/136186420.db2.gz LGZBHYZKLMHBFG-UHFFFAOYSA-N 1 2 380.536 3.866 50 0 GHAALO Cc1ccn(-c2ccccc2NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000151093343 136193368 /nfs/dbraw/zinc/19/33/68/136193368.db2.gz PNNVVAYOFNUEGR-UHFFFAOYSA-N 1 2 390.491 3.888 50 0 GHAALO C[C@H](NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC000013061337 136200945 /nfs/dbraw/zinc/20/09/45/136200945.db2.gz KNRNBEPTILIRJY-HNNXBMFYSA-N 1 2 392.330 3.993 50 0 GHAALO CCOc1ccc(C(C)=O)cc1NC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000426414453 528412071 /nfs/dbraw/zinc/41/20/71/528412071.db2.gz QBRKOZMMCXDYDF-UHFFFAOYSA-N 1 2 383.448 3.758 50 0 GHAALO CCn1c(C[N@H+](C)C[C@H]2CN(CC)c3ccccc3O2)nc2cc(F)ccc21 ZINC000069876716 535981424 /nfs/dbraw/zinc/98/14/24/535981424.db2.gz CVYBKVIOMGWDKG-KRWDZBQOSA-N 1 2 382.483 3.915 50 0 GHAALO CCn1c(C[N@@H+](C)C[C@H]2CN(CC)c3ccccc3O2)nc2cc(F)ccc21 ZINC000069876716 535981430 /nfs/dbraw/zinc/98/14/30/535981430.db2.gz CVYBKVIOMGWDKG-KRWDZBQOSA-N 1 2 382.483 3.915 50 0 GHAALO CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(C[NH+]2CCOCC2)c1 ZINC000019796809 570219805 /nfs/dbraw/zinc/21/98/05/570219805.db2.gz GQOYASIBVXHMGA-QFIPXVFZSA-N 1 2 395.503 3.504 50 0 GHAALO CC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000012814080 570229130 /nfs/dbraw/zinc/22/91/30/570229130.db2.gz QCWISTPWVGSXET-RHSMWYFYSA-N 1 2 384.501 3.932 50 0 GHAALO CC(=O)c1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000012814080 570229134 /nfs/dbraw/zinc/22/91/34/570229134.db2.gz QCWISTPWVGSXET-RHSMWYFYSA-N 1 2 384.501 3.932 50 0 GHAALO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc(F)cc4)CC3)no2)cc1 ZINC000020028677 570236028 /nfs/dbraw/zinc/23/60/28/570236028.db2.gz CUTHZVQVZISLPS-UHFFFAOYSA-N 1 2 379.435 3.747 50 0 GHAALO CC(C)=CC[C@@H]1[C@@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1(C)C ZINC000020161431 570245409 /nfs/dbraw/zinc/24/54/09/570245409.db2.gz IIZCTMQLLDIIEZ-NQIIRXRSSA-N 1 2 384.520 3.688 50 0 GHAALO OCC[C@@H]1C[N@H+](Cc2c[nH]nc2C2CCCCC2)CCN1Cc1ccsc1 ZINC000020472505 570261115 /nfs/dbraw/zinc/26/11/15/570261115.db2.gz HBYYXMYWPYDTHO-HXUWFJFHSA-N 1 2 388.581 3.588 50 0 GHAALO OCC[C@@H]1C[N@@H+](Cc2c[nH]nc2C2CCCCC2)CCN1Cc1ccsc1 ZINC000020472505 570261118 /nfs/dbraw/zinc/26/11/18/570261118.db2.gz HBYYXMYWPYDTHO-HXUWFJFHSA-N 1 2 388.581 3.588 50 0 GHAALO C[C@@H]1c2cccn2CC[N@H+]1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012850341 570265949 /nfs/dbraw/zinc/26/59/49/570265949.db2.gz MMPBJCQRMVUHDO-IAGOWNOFSA-N 1 2 394.544 3.881 50 0 GHAALO C[C@@H]1c2cccn2CC[N@@H+]1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012850341 570265950 /nfs/dbraw/zinc/26/59/50/570265950.db2.gz MMPBJCQRMVUHDO-IAGOWNOFSA-N 1 2 394.544 3.881 50 0 GHAALO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3-c3ccco3)C[C@@H]2CCO)o1 ZINC000020908878 570284176 /nfs/dbraw/zinc/28/41/76/570284176.db2.gz YGCIICQNESNBAB-FQEVSTJZSA-N 1 2 380.488 3.917 50 0 GHAALO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3-c3ccco3)C[C@@H]2CCO)o1 ZINC000020908878 570284178 /nfs/dbraw/zinc/28/41/78/570284178.db2.gz YGCIICQNESNBAB-FQEVSTJZSA-N 1 2 380.488 3.917 50 0 GHAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000046468644 570284852 /nfs/dbraw/zinc/28/48/52/570284852.db2.gz OVPZBCNYZKRDLO-RBUKOAKNSA-N 1 2 386.496 3.677 50 0 GHAALO COc1ccc(C[NH+]2CCN([C@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1F ZINC000022804598 570329050 /nfs/dbraw/zinc/32/90/50/570329050.db2.gz FKATVASXGGPASQ-MRXNPFEDSA-N 1 2 396.466 3.763 50 0 GHAALO COc1ccc(CN2CC[NH+]([C@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1F ZINC000022804598 570329052 /nfs/dbraw/zinc/32/90/52/570329052.db2.gz FKATVASXGGPASQ-MRXNPFEDSA-N 1 2 396.466 3.763 50 0 GHAALO O=C(CCN1CC[NH+](Cc2ccco2)CC1)Nc1c(Cl)cccc1Cl ZINC000022931068 570337043 /nfs/dbraw/zinc/33/70/43/570337043.db2.gz SMPBQGIQMKBBEH-UHFFFAOYSA-N 1 2 382.291 3.733 50 0 GHAALO COc1ccc(CN2CC[N@H+](Cc3cc4ccccc4[nH]3)C[C@@H]2CCO)cc1C ZINC000023373245 570357773 /nfs/dbraw/zinc/35/77/73/570357773.db2.gz MYXCUYMCVKJICQ-QFIPXVFZSA-N 1 2 393.531 3.554 50 0 GHAALO COc1ccc(CN2CC[N@@H+](Cc3cc4ccccc4[nH]3)C[C@@H]2CCO)cc1C ZINC000023373245 570357777 /nfs/dbraw/zinc/35/77/77/570357777.db2.gz MYXCUYMCVKJICQ-QFIPXVFZSA-N 1 2 393.531 3.554 50 0 GHAALO Cc1sc2ncnc(NC[C@H](c3ccc(F)cc3)[NH+]3CCOCC3)c2c1C ZINC000023381274 570359370 /nfs/dbraw/zinc/35/93/70/570359370.db2.gz HMJPLHFOCBVOPJ-QGZVFWFLSA-N 1 2 386.496 3.933 50 0 GHAALO O=C(NCC[NH+]1CCOCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000023718712 570370226 /nfs/dbraw/zinc/37/02/26/570370226.db2.gz WOGLHSWMKYUZGH-UHFFFAOYSA-N 1 2 390.936 3.694 50 0 GHAALO CC[N@H+](Cc1ccc(Br)s1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000023732286 570370329 /nfs/dbraw/zinc/37/03/29/570370329.db2.gz DMPHCHFREYTAOP-UHFFFAOYSA-N 1 2 378.295 3.769 50 0 GHAALO CC[N@@H+](Cc1ccc(Br)s1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000023732286 570370331 /nfs/dbraw/zinc/37/03/31/570370331.db2.gz DMPHCHFREYTAOP-UHFFFAOYSA-N 1 2 378.295 3.769 50 0 GHAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)Nc1cc(C(C)C)no1 ZINC000024224909 570381079 /nfs/dbraw/zinc/38/10/79/570381079.db2.gz DBSRVTYXLGWGJS-UHFFFAOYSA-N 1 2 396.285 3.640 50 0 GHAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)Nc1cc(C(C)C)no1 ZINC000024224909 570381083 /nfs/dbraw/zinc/38/10/83/570381083.db2.gz DBSRVTYXLGWGJS-UHFFFAOYSA-N 1 2 396.285 3.640 50 0 GHAALO CCOc1ccc(C[N@H+](CC)CC(=O)Nc2cc(C(C)C)no2)cc1OC ZINC000024245965 570381252 /nfs/dbraw/zinc/38/12/52/570381252.db2.gz LAYHOHBOFROFBS-UHFFFAOYSA-N 1 2 375.469 3.666 50 0 GHAALO CCOc1ccc(C[N@@H+](CC)CC(=O)Nc2cc(C(C)C)no2)cc1OC ZINC000024245965 570381255 /nfs/dbraw/zinc/38/12/55/570381255.db2.gz LAYHOHBOFROFBS-UHFFFAOYSA-N 1 2 375.469 3.666 50 0 GHAALO O=S(=O)(c1cccc(F)c1)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000024828360 570394424 /nfs/dbraw/zinc/39/44/24/570394424.db2.gz SCUWSNKRGBOSFG-UHFFFAOYSA-N 1 2 390.505 3.547 50 0 GHAALO COc1ccc(C[N@H+](C)[C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1F ZINC000025059209 570404811 /nfs/dbraw/zinc/40/48/11/570404811.db2.gz VNYZKVAZOKDKCZ-HXUWFJFHSA-N 1 2 392.430 3.751 50 0 GHAALO COc1ccc(C[N@@H+](C)[C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)cc1F ZINC000025059209 570404813 /nfs/dbraw/zinc/40/48/13/570404813.db2.gz VNYZKVAZOKDKCZ-HXUWFJFHSA-N 1 2 392.430 3.751 50 0 GHAALO CC(=O)Nc1cccc(-n2cnn(C[N@@H+](C)[C@H]3CCc4ccccc43)c2=S)c1 ZINC000026554573 570426981 /nfs/dbraw/zinc/42/69/81/570426981.db2.gz BKHCMHXVLYQLIX-FQEVSTJZSA-N 1 2 393.516 3.938 50 0 GHAALO CC(=O)Nc1cccc(-n2cnn(C[N@H+](C)[C@H]3CCc4ccccc43)c2=S)c1 ZINC000026554573 570426982 /nfs/dbraw/zinc/42/69/82/570426982.db2.gz BKHCMHXVLYQLIX-FQEVSTJZSA-N 1 2 393.516 3.938 50 0 GHAALO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)o1 ZINC000248014769 570435131 /nfs/dbraw/zinc/43/51/31/570435131.db2.gz QDKPCAIIKIDNMD-BFYDXBDKSA-N 1 2 381.476 3.599 50 0 GHAALO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)o1 ZINC000248014769 570435133 /nfs/dbraw/zinc/43/51/33/570435133.db2.gz QDKPCAIIKIDNMD-BFYDXBDKSA-N 1 2 381.476 3.599 50 0 GHAALO CCCCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000027582827 570436915 /nfs/dbraw/zinc/43/69/15/570436915.db2.gz CWKURMMZDNXFNW-JOCHJYFZSA-N 1 2 396.531 3.977 50 0 GHAALO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000089346135 570446413 /nfs/dbraw/zinc/44/64/13/570446413.db2.gz BRSVCDPPQSIGOW-UHFFFAOYSA-N 1 2 392.385 3.642 50 0 GHAALO CN(CCO)c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)[nH+]c1 ZINC000089346284 570446517 /nfs/dbraw/zinc/44/65/17/570446517.db2.gz BNFAAYAHIOMSOD-UHFFFAOYSA-N 1 2 399.498 3.975 50 0 GHAALO CNc1nc(N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)[nH+]cc1Br ZINC000133805886 570468494 /nfs/dbraw/zinc/46/84/94/570468494.db2.gz SWJFPPIABMMIBP-OLZOCXBDSA-N 1 2 385.212 3.501 50 0 GHAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccc(-c2ccccc2F)s1 ZINC000029276968 570471210 /nfs/dbraw/zinc/47/12/10/570471210.db2.gz KQYATQLQGUYTFA-UHFFFAOYSA-N 1 2 397.475 3.716 50 0 GHAALO Cc1nc(C)c(C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)s1 ZINC000029286001 570471310 /nfs/dbraw/zinc/47/13/10/570471310.db2.gz ADEZZNSYKSWFRN-UHFFFAOYSA-N 1 2 399.438 3.617 50 0 GHAALO COc1ccc2[nH]c(C)c(C(=O)C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)c2c1 ZINC000034847907 570544721 /nfs/dbraw/zinc/54/47/21/570544721.db2.gz LBPHNNDFAFIZLC-UHFFFAOYSA-N 1 2 394.471 3.743 50 0 biogenic GHAALO COc1ccc2[nH]c(C)c(C(=O)C[N@H+]3CCc4cc(OC)c(OC)cc4C3)c2c1 ZINC000034847907 570544723 /nfs/dbraw/zinc/54/47/23/570544723.db2.gz LBPHNNDFAFIZLC-UHFFFAOYSA-N 1 2 394.471 3.743 50 0 biogenic GHAALO COc1cccc(C(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)c1 ZINC000022906974 570563627 /nfs/dbraw/zinc/56/36/27/570563627.db2.gz PKTLIFXSVRMARC-OAQYLSRUSA-N 1 2 376.456 3.818 50 0 GHAALO COc1cccc(C(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)c1 ZINC000022906974 570563628 /nfs/dbraw/zinc/56/36/28/570563628.db2.gz PKTLIFXSVRMARC-OAQYLSRUSA-N 1 2 376.456 3.818 50 0 GHAALO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000012390611 570652364 /nfs/dbraw/zinc/65/23/64/570652364.db2.gz RNQCENZNIBEBSZ-UHFFFAOYSA-N 1 2 382.464 3.615 50 0 GHAALO CC(=O)c1cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cs1 ZINC000012429821 570658714 /nfs/dbraw/zinc/65/87/14/570658714.db2.gz AXZPVBQRZMIEEE-LJQANCHMSA-N 1 2 394.500 3.740 50 0 GHAALO CC(=O)c1cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)cs1 ZINC000012429821 570658716 /nfs/dbraw/zinc/65/87/16/570658716.db2.gz AXZPVBQRZMIEEE-LJQANCHMSA-N 1 2 394.500 3.740 50 0 GHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)NC1CCCC1 ZINC000004341646 570676594 /nfs/dbraw/zinc/67/65/94/570676594.db2.gz RUFLGEMCPOBWBY-UHFFFAOYSA-N 1 2 387.896 3.620 50 0 GHAALO Cc1oc(-c2cc(F)cc(F)c2)nc1C[NH+]1CCN(c2nc(C)cnc2C)CC1 ZINC000055154370 570685062 /nfs/dbraw/zinc/68/50/62/570685062.db2.gz XUFXXXIUQVVCDJ-UHFFFAOYSA-N 1 2 399.445 3.657 50 0 GHAALO C[C@H]1c2cccn2CC[N@H+]1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012985705 570737155 /nfs/dbraw/zinc/73/71/55/570737155.db2.gz JZZJESQTNBVDPC-INIZCTEOSA-N 1 2 394.544 3.881 50 0 GHAALO C[C@H]1c2cccn2CC[N@@H+]1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012985705 570737158 /nfs/dbraw/zinc/73/71/58/570737158.db2.gz JZZJESQTNBVDPC-INIZCTEOSA-N 1 2 394.544 3.881 50 0 GHAALO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000025390264 570749966 /nfs/dbraw/zinc/74/99/66/570749966.db2.gz WRUDFWSFANCBJO-HNNXBMFYSA-N 1 2 392.425 3.558 50 0 GHAALO C[C@@H]1C[N@@H+](CCOc2ccc3c(c2)occ(-c2ccccc2)c3=O)C[C@H](C)O1 ZINC000013608269 570761978 /nfs/dbraw/zinc/76/19/78/570761978.db2.gz SEGDXBOJTVZVCX-CALCHBBNSA-N 1 2 379.456 3.948 50 0 biogenic GHAALO C[C@@H]1C[N@H+](CCOc2ccc3c(c2)occ(-c2ccccc2)c3=O)C[C@H](C)O1 ZINC000013608269 570761984 /nfs/dbraw/zinc/76/19/84/570761984.db2.gz SEGDXBOJTVZVCX-CALCHBBNSA-N 1 2 379.456 3.948 50 0 biogenic GHAALO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000013693319 570776731 /nfs/dbraw/zinc/77/67/31/570776731.db2.gz MAZPZHBOBGNPER-UHFFFAOYSA-N 1 2 378.501 3.784 50 0 GHAALO COc1ccccc1CNC(=O)[C@H]1CCCN(c2[nH]c3ccc(Cl)cc3[nH+]2)C1 ZINC000033071472 570803255 /nfs/dbraw/zinc/80/32/55/570803255.db2.gz QJQCYPNMFSWOCX-HNNXBMFYSA-N 1 2 398.894 3.758 50 0 GHAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4cccc(OC)c4)CC3)c2c1 ZINC000033088026 570807225 /nfs/dbraw/zinc/80/72/25/570807225.db2.gz IMYQCYAANGGZRW-UHFFFAOYSA-N 1 2 392.499 3.682 50 0 GHAALO CC[C@H](C)NC(=O)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000033106610 570811502 /nfs/dbraw/zinc/81/15/02/570811502.db2.gz HQIBJKGHXAPMSJ-SFHVURJKSA-N 1 2 391.519 3.715 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 ZINC000012507817 570823736 /nfs/dbraw/zinc/82/37/36/570823736.db2.gz DOAODFKURQHLFL-LJQANCHMSA-N 1 2 391.862 3.779 50 0 GHAALO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012540712 570841534 /nfs/dbraw/zinc/84/15/34/570841534.db2.gz LRSCMAFQHAJSGG-ZDUSSCGKSA-N 1 2 380.473 3.579 50 0 GHAALO O=C(C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000012540603 570841561 /nfs/dbraw/zinc/84/15/61/570841561.db2.gz GLGFRECEZCASNI-OAQYLSRUSA-N 1 2 399.922 3.952 50 0 GHAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000012540603 570841563 /nfs/dbraw/zinc/84/15/63/570841563.db2.gz GLGFRECEZCASNI-OAQYLSRUSA-N 1 2 399.922 3.952 50 0 GHAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)[nH+]1 ZINC000007450853 570844976 /nfs/dbraw/zinc/84/49/76/570844976.db2.gz HIEXTAWWUQJEMK-UHFFFAOYSA-N 1 2 391.431 3.576 50 0 GHAALO C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000012550078 570851776 /nfs/dbraw/zinc/85/17/76/570851776.db2.gz YPTTWNXNCWLZMD-UGSOOPFHSA-N 1 2 387.842 3.886 50 0 GHAALO CCc1csc(NC2CC[NH+]([C@@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)n1 ZINC000170598197 570856511 /nfs/dbraw/zinc/85/65/11/570856511.db2.gz QKCRKBSJQVGWLH-LBPRGKRZSA-N 1 2 393.582 3.682 50 0 GHAALO CCCn1c2ccccc2nc1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000012559053 570860825 /nfs/dbraw/zinc/86/08/25/570860825.db2.gz HHWIOUYKKMICQV-UHFFFAOYSA-N 1 2 378.476 3.531 50 0 GHAALO O=C(CSCc1nc2ccccc2s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022405131 570889022 /nfs/dbraw/zinc/88/90/22/570889022.db2.gz NQHISZUXWUQZLG-UHFFFAOYSA-N 1 2 397.569 3.874 50 0 GHAALO COc1ccc([C@@H](NC(=O)c2cc(F)c(F)cc2Cl)c2[nH+]ccn2C)cc1 ZINC000016472902 570925503 /nfs/dbraw/zinc/92/55/03/570925503.db2.gz ODTPZOUHMNYFCZ-QGZVFWFLSA-N 1 2 391.805 3.880 50 0 GHAALO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000252443992 570957072 /nfs/dbraw/zinc/95/70/72/570957072.db2.gz LSBOGSOCZLWGJL-YJBOKZPZSA-N 1 2 382.533 3.991 50 0 GHAALO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000252443992 570957076 /nfs/dbraw/zinc/95/70/76/570957076.db2.gz LSBOGSOCZLWGJL-YJBOKZPZSA-N 1 2 382.533 3.991 50 0 GHAALO CCO[C@@H](C[NH+]1CCN(C[C@H](C)C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000019362722 570979526 /nfs/dbraw/zinc/97/95/26/570979526.db2.gz BSHWLCACYCVCJE-REWPJTCUSA-N 1 2 380.532 3.901 50 0 world GHAALO C[N@H+](Cc1nc(-c2ccco2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108339413 570987456 /nfs/dbraw/zinc/98/74/56/570987456.db2.gz PBVAIXKIINJLRL-CZUORRHYSA-N 1 2 380.231 3.727 50 0 GHAALO C[N@@H+](Cc1nc(-c2ccco2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108339413 570987464 /nfs/dbraw/zinc/98/74/64/570987464.db2.gz PBVAIXKIINJLRL-CZUORRHYSA-N 1 2 380.231 3.727 50 0 GHAALO CN(C)c1ccc(N[C@@H]2CCCN(C(=O)c3cccc4cc[nH]c43)CC2)c[nH+]1 ZINC000252537502 570991956 /nfs/dbraw/zinc/99/19/56/570991956.db2.gz LKLYUULDXHMCKG-QGZVFWFLSA-N 1 2 377.492 3.736 50 0 GHAALO CC(C)n1cccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091289333 571002368 /nfs/dbraw/zinc/00/23/68/571002368.db2.gz NZESHPRPVLLUQP-LJQANCHMSA-N 1 2 377.492 3.729 50 0 GHAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000091635984 571020171 /nfs/dbraw/zinc/02/01/71/571020171.db2.gz HPBORGSWJDTSRK-SFHVURJKSA-N 1 2 385.471 3.833 50 0 GHAALO CCn1c2ccccc2nc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000095360562 571055274 /nfs/dbraw/zinc/05/52/74/571055274.db2.gz BFWIWAXQROCYMQ-FUHWJXTLSA-N 1 2 381.549 3.609 50 0 GHAALO CCn1c2ccccc2nc1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cscn1)C2 ZINC000095360562 571055275 /nfs/dbraw/zinc/05/52/75/571055275.db2.gz BFWIWAXQROCYMQ-FUHWJXTLSA-N 1 2 381.549 3.609 50 0 GHAALO CCn1c2ccccc2nc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000095360562 571055277 /nfs/dbraw/zinc/05/52/77/571055277.db2.gz BFWIWAXQROCYMQ-FUHWJXTLSA-N 1 2 381.549 3.609 50 0 GHAALO CCn1c2ccccc2nc1C[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000095360562 571055278 /nfs/dbraw/zinc/05/52/78/571055278.db2.gz BFWIWAXQROCYMQ-FUHWJXTLSA-N 1 2 381.549 3.609 50 0 GHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(Cn3cccn3)o2)C1 ZINC000095527353 571091607 /nfs/dbraw/zinc/09/16/07/571091607.db2.gz PRLYVGDKOMTDEM-QGZVFWFLSA-N 1 2 381.480 3.541 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccc(NC(=O)C2CCCC2)c1)C1CC1 ZINC000095529839 571092308 /nfs/dbraw/zinc/09/23/08/571092308.db2.gz FKCGKASRAOEAEH-GOSISDBHSA-N 1 2 381.480 3.822 50 0 GHAALO FC(F)COc1ncccc1C[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000293316569 838342771 /nfs/dbraw/zinc/34/27/71/838342771.db2.gz QQZIAULMSRDAGE-UHFFFAOYSA-N 1 2 397.853 3.505 50 0 GHAALO NC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(Sc3ncccn3)o2)s1 ZINC000020206034 839904855 /nfs/dbraw/zinc/90/48/55/839904855.db2.gz HNWPUGMBENIULK-CYBMUJFWSA-N 1 2 386.502 3.718 50 0 GHAALO NC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(Sc3ncccn3)o2)s1 ZINC000020206034 839904864 /nfs/dbraw/zinc/90/48/64/839904864.db2.gz HNWPUGMBENIULK-CYBMUJFWSA-N 1 2 386.502 3.718 50 0 GHAALO CC(C)c1cc(NC[C@@H](c2ccc(Cl)cc2)n2cc[nH+]c2)n2ncnc2n1 ZINC000888094919 842474514 /nfs/dbraw/zinc/47/45/14/842474514.db2.gz HBOXEGLBEJYUOA-KRWDZBQOSA-N 1 2 381.871 3.799 50 0 GHAALO Cn1cc[nH+]c1CC1CCN([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000119236799 843679153 /nfs/dbraw/zinc/67/91/53/843679153.db2.gz XCJMNDBREINNFV-LJQANCHMSA-N 1 2 386.927 3.524 50 0 GHAALO O=P(C[NH+]1CCN(c2ccccc2)CC1)(N1CCCCC1)N1CCCCC1 ZINC000057638095 862204585 /nfs/dbraw/zinc/20/45/85/862204585.db2.gz SPNPUDLFYRXQNC-UHFFFAOYSA-N 1 2 390.512 3.931 50 0 GHAALO Cc1ccc(C)n1-c1nc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2s1 ZINC000009421647 857194789 /nfs/dbraw/zinc/19/47/89/857194789.db2.gz RFVREDNUHHAFDG-UHFFFAOYSA-N 1 2 379.489 3.720 50 0 GHAALO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cccs2)cc1 ZINC000020107797 860488608 /nfs/dbraw/zinc/48/86/08/860488608.db2.gz PUVQISJWALYUAM-UHFFFAOYSA-N 1 2 389.590 3.978 50 0 GHAALO Cn1cccc1[C@@H](CNC(=O)c1ccc(F)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000021151764 860728037 /nfs/dbraw/zinc/72/80/37/860728037.db2.gz OSJMILMTETXFOO-JOCHJYFZSA-N 1 2 395.453 3.833 50 0 GHAALO Cn1cccc1[C@@H](CNC(=O)c1ccc(F)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000021151764 860728042 /nfs/dbraw/zinc/72/80/42/860728042.db2.gz OSJMILMTETXFOO-JOCHJYFZSA-N 1 2 395.453 3.833 50 0 GHAALO O=C(Nc1ccccc1Cl)N1CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000021648909 860877069 /nfs/dbraw/zinc/87/70/69/860877069.db2.gz UEEGFRSRUJLSQB-UHFFFAOYSA-N 1 2 381.867 3.633 50 0 GHAALO CCOc1ccccc1NC(=O)N1CCC[C@@H](Cn2c(C)c[nH+]c2COC)C1 ZINC000575548786 866188911 /nfs/dbraw/zinc/18/89/11/866188911.db2.gz JRGYEBOWQVIAPB-QGZVFWFLSA-N 1 2 386.496 3.681 50 0 GHAALO Cc1c[nH+]c(C2CN(C(=O)Nc3ccc(C)c(C)c3)C2)n1Cc1cccnc1 ZINC000575553774 866193556 /nfs/dbraw/zinc/19/35/56/866193556.db2.gz HXKDYAQEEXPWGI-UHFFFAOYSA-N 1 2 375.476 3.883 50 0 GHAALO COc1ccc(CCC(=O)N2CC(c3[nH+]cc(C)n3Cc3ccccc3)C2)cc1 ZINC000581812903 870020910 /nfs/dbraw/zinc/02/09/10/870020910.db2.gz USSVCIVDIKTCRE-UHFFFAOYSA-N 1 2 389.499 3.807 50 0 GHAALO CC(C)CC(=O)N1CCC([N@@H+]2C[C@H](Oc3ccccc3)[C@@H]2c2ccncc2)CC1 ZINC000581812770 870021442 /nfs/dbraw/zinc/02/14/42/870021442.db2.gz UXTGKFGSXONJHQ-UPVQGACJSA-N 1 2 393.531 3.923 50 0 GHAALO CC(C)CC(=O)N1CCC([N@H+]2C[C@H](Oc3ccccc3)[C@@H]2c2ccncc2)CC1 ZINC000581812770 870021459 /nfs/dbraw/zinc/02/14/59/870021459.db2.gz UXTGKFGSXONJHQ-UPVQGACJSA-N 1 2 393.531 3.923 50 0 GHAALO CC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000033581574 883996200 /nfs/dbraw/zinc/99/62/00/883996200.db2.gz CPMRPOUFRFQMGC-WMHRWZGDSA-N 1 2 391.515 3.547 50 0 GHAALO O=C(NC1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1)C1CCCCC1 ZINC000155445701 898792235 /nfs/dbraw/zinc/79/22/35/898792235.db2.gz ZKHNPCOLXPHDSE-UHFFFAOYSA-N 1 2 384.549 3.866 50 0 GHAALO Cc1ccc([C@@H]([NH2+]Cc2cccc3c2OC(F)(F)O3)[C@H](C)S(C)(=O)=O)cc1 ZINC000414447694 915348266 /nfs/dbraw/zinc/34/82/66/915348266.db2.gz PVZSQXIVFXHSLA-GUYCJALGSA-N 1 2 397.443 3.581 50 0 GHAALO CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000649553151 1048991876 /nfs/dbraw/zinc/99/18/76/1048991876.db2.gz FWBVTJRKKPAHPV-UHFFFAOYSA-N 1 2 386.565 3.798 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@H](OC)C4)csc3C2)nc1 ZINC000426431186 529642994 /nfs/dbraw/zinc/64/29/94/529642994.db2.gz XHBKSXFIUBOQII-SFHVURJKSA-N 1 2 399.560 3.515 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@H](OC)C4)csc3C2)nc1 ZINC000426431186 529642996 /nfs/dbraw/zinc/64/29/96/529642996.db2.gz XHBKSXFIUBOQII-SFHVURJKSA-N 1 2 399.560 3.515 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCO[C@H](CC)C4)csc3C2)nc1 ZINC000426545432 529643681 /nfs/dbraw/zinc/64/36/81/529643681.db2.gz QVRXMNFBPXSFKF-GOSISDBHSA-N 1 2 399.560 3.515 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCO[C@H](CC)C4)csc3C2)nc1 ZINC000426545432 529643684 /nfs/dbraw/zinc/64/36/84/529643684.db2.gz QVRXMNFBPXSFKF-GOSISDBHSA-N 1 2 399.560 3.515 50 0 GHAALO S=c1n(C[NH+]2CCCC2)nc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 ZINC000003362749 204001203 /nfs/dbraw/zinc/00/12/03/204001203.db2.gz KUVGXKMVLGPUDF-HNNXBMFYSA-N 1 2 383.521 3.795 50 0 GHAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000007717072 204247967 /nfs/dbraw/zinc/24/79/67/204247967.db2.gz XKXIDDHTSCFFKF-SFHVURJKSA-N 1 2 376.403 3.758 50 0 GHAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000007717072 204247972 /nfs/dbraw/zinc/24/79/72/204247972.db2.gz XKXIDDHTSCFFKF-SFHVURJKSA-N 1 2 376.403 3.758 50 0 GHAALO Cc1cc(=O)n2nc(C[N@@H+]3CCCC[C@@H]3c3nc4ccccc4s3)sc2n1 ZINC000008005383 204259789 /nfs/dbraw/zinc/25/97/89/204259789.db2.gz UJVDTLYLEYSPAU-CQSZACIVSA-N 1 2 397.529 3.796 50 0 GHAALO Cc1cc(=O)n2nc(C[N@H+]3CCCC[C@@H]3c3nc4ccccc4s3)sc2n1 ZINC000008005383 204259793 /nfs/dbraw/zinc/25/97/93/204259793.db2.gz UJVDTLYLEYSPAU-CQSZACIVSA-N 1 2 397.529 3.796 50 0 GHAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000008323984 204272165 /nfs/dbraw/zinc/27/21/65/204272165.db2.gz ZAEPJTNACQPGHX-UHFFFAOYSA-N 1 2 399.494 3.613 50 0 GHAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000008323984 204272167 /nfs/dbraw/zinc/27/21/67/204272167.db2.gz ZAEPJTNACQPGHX-UHFFFAOYSA-N 1 2 399.494 3.613 50 0 GHAALO O=C(c1cc2c(s1)-c1ccsc1CC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000009527183 204313939 /nfs/dbraw/zinc/31/39/39/204313939.db2.gz OMXMCIYQMVLPSR-UHFFFAOYSA-N 1 2 381.526 3.933 50 0 GHAALO Cc1c(C(=O)Nc2cc[nH+]c(C)c2)sc2[nH]c(Cc3ccccc3)nc(=O)c12 ZINC000010165173 204331771 /nfs/dbraw/zinc/33/17/71/204331771.db2.gz JJECYAMQZIXVFA-UHFFFAOYSA-N 1 2 390.468 3.840 50 0 GHAALO Cn1cc[nH+]c1CN1CCCC[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000011819460 204355197 /nfs/dbraw/zinc/35/51/97/204355197.db2.gz HDMOOTVQOZMNJY-FQEVSTJZSA-N 1 2 391.475 3.601 50 0 GHAALO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000011935701 204362742 /nfs/dbraw/zinc/36/27/42/204362742.db2.gz UNDLMYWVSYSMMK-SXAWMYDMSA-N 1 2 385.467 3.796 50 0 GHAALO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccn3)cc2)n1 ZINC000012298348 204392134 /nfs/dbraw/zinc/39/21/34/204392134.db2.gz CEAOBWVQZRDFEK-QFIPXVFZSA-N 1 2 389.503 3.877 50 0 GHAALO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccccn3)cc2)n1 ZINC000012298348 204392139 /nfs/dbraw/zinc/39/21/39/204392139.db2.gz CEAOBWVQZRDFEK-QFIPXVFZSA-N 1 2 389.503 3.877 50 0 GHAALO Cc1cc2[nH+]cn(Cc3cc(C(=O)N(C)[C@H](C)c4nccs4)[nH]n3)c2cc1C ZINC000012317523 204395528 /nfs/dbraw/zinc/39/55/28/204395528.db2.gz LNSSKYKIKNBOGD-CQSZACIVSA-N 1 2 394.504 3.714 50 0 GHAALO CCCCc1[nH]c(CN2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)c[nH+]1 ZINC000012313774 204396102 /nfs/dbraw/zinc/39/61/02/204396102.db2.gz VGUIZIVVVKDYLG-UHFFFAOYSA-N 1 2 380.448 3.694 50 0 GHAALO CCCCc1[nH]cc(CN2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)[nH+]1 ZINC000012313774 204396107 /nfs/dbraw/zinc/39/61/07/204396107.db2.gz VGUIZIVVVKDYLG-UHFFFAOYSA-N 1 2 380.448 3.694 50 0 GHAALO COc1ccc(C(=O)Nc2ccc(Nc3nc(N(C)C)cc(C)[nH+]3)cc2)cc1 ZINC000033078125 204945803 /nfs/dbraw/zinc/94/58/03/204945803.db2.gz HWVUXUPNQQYRQK-UHFFFAOYSA-N 1 2 377.448 3.856 50 0 GHAALO FC(F)(F)c1cnc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c(Cl)c1 ZINC000036395700 205016628 /nfs/dbraw/zinc/01/66/28/205016628.db2.gz CDRBLOXNYPZJRF-UHFFFAOYSA-N 1 2 395.816 3.724 50 0 GHAALO Cc1cc2nc(NC[C@H](c3ccc(C)o3)[NH+]3CCOCC3)c3ccccc3n2n1 ZINC000040071534 205050232 /nfs/dbraw/zinc/05/02/32/205050232.db2.gz VDHGUVGIFDQGTC-LJQANCHMSA-N 1 2 391.475 3.578 50 0 GHAALO O=C(Nc1cccc(OCCn2cc[nH+]c2)c1)c1csc(-c2ccco2)n1 ZINC000043243685 205081075 /nfs/dbraw/zinc/08/10/75/205081075.db2.gz NRTGQYRJIMXSSI-UHFFFAOYSA-N 1 2 380.429 3.931 50 0 GHAALO O=S(=O)(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(Cl)ccc1Cl ZINC000054534045 205139373 /nfs/dbraw/zinc/13/93/73/205139373.db2.gz BGDWSGVJNGAGNI-UHFFFAOYSA-N 1 2 396.299 3.717 50 0 GHAALO c1ccc2cc(-c3ncc(C[NH2+]Cc4nnc5n4CCCCC5)cn3)ccc2c1 ZINC000063870725 205187712 /nfs/dbraw/zinc/18/77/12/205187712.db2.gz ZEOTXVNMCFPDKL-UHFFFAOYSA-N 1 2 384.487 3.905 50 0 GHAALO Cc1cccc(NC(=O)C[NH+]2CCN(c3nc4ccccc4s3)CC2)c1C ZINC000059644177 205179596 /nfs/dbraw/zinc/17/95/96/205179596.db2.gz MBMZQGROSFFPAK-UHFFFAOYSA-N 1 2 380.517 3.674 50 0 GHAALO O=C(c1ccncc1)N1CCC[C@]2(C1)Nc1ccccc1NC2=[NH+]C1CCCC1 ZINC000065259956 205224526 /nfs/dbraw/zinc/22/45/26/205224526.db2.gz BQZJYQOHBSLHDL-HSZRJFAPSA-N 1 2 389.503 3.744 50 0 biogenic GHAALO Cc1ccc(NC(=O)Cn2cc[nH+]c2-c2ccnc(N3CCCC3)c2)c(C)c1 ZINC000065220516 205219349 /nfs/dbraw/zinc/21/93/49/205219349.db2.gz ZBQCMQNMZHBULA-UHFFFAOYSA-N 1 2 375.476 3.801 50 0 GHAALO COc1ccc(S(=O)(=O)Nc2cccc(-c3c[nH+]c4n3CCC4)c2)cc1C ZINC000090607225 205274348 /nfs/dbraw/zinc/27/43/48/205274348.db2.gz RSOURZUNFWVZBG-UHFFFAOYSA-N 1 2 383.473 3.614 50 0 GHAALO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(C)cc2)C1 ZINC000067676646 205253671 /nfs/dbraw/zinc/25/36/71/205253671.db2.gz JTSPMROLINRAGR-GOSISDBHSA-N 1 2 377.492 3.550 50 0 GHAALO COc1ccc2ccc(OCc3nc(C(=O)N[C@@H](C)c4[nH]cc[nH+]4)co3)cc2c1 ZINC000067755691 205257904 /nfs/dbraw/zinc/25/79/04/205257904.db2.gz IFORESHYGZVTLE-ZDUSSCGKSA-N 1 2 392.415 3.630 50 0 GHAALO C[NH+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)CC1 ZINC000069131606 205272914 /nfs/dbraw/zinc/27/29/14/205272914.db2.gz WQJNOLLLBXICKQ-UHFFFAOYSA-N 1 2 380.879 3.580 50 0 GHAALO CC(=O)Nc1ccc(-c2[nH+]ccn2CCc2nc(C)cc(C(F)(F)F)n2)cc1 ZINC000071752575 205290449 /nfs/dbraw/zinc/29/04/49/205290449.db2.gz SQFWUQNOHMPXLM-UHFFFAOYSA-N 1 2 389.381 3.868 50 0 GHAALO c1cn(Cc2ccccc2)c(CN2CCN(c3nc4ccccc4s3)CC2)[nH+]1 ZINC000071811798 205298721 /nfs/dbraw/zinc/29/87/21/205298721.db2.gz PZSSYTYWJIHOLQ-UHFFFAOYSA-N 1 2 389.528 3.863 50 0 GHAALO Cc1c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)oc2c1C(=O)CC(C)(C)C2 ZINC000069393701 205275593 /nfs/dbraw/zinc/27/55/93/205275593.db2.gz GNKRWVAAPFHQKO-UHFFFAOYSA-N 1 2 377.444 3.859 50 0 GHAALO COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CCn1cc[nH+]c1)CC2 ZINC000072280526 205320532 /nfs/dbraw/zinc/32/05/32/205320532.db2.gz FCONJCYUATYCNE-OAQYLSRUSA-N 1 2 397.500 3.526 50 0 GHAALO Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccc(Cn4cc[nH+]c4)o3)nc2c1 ZINC000082147930 205388364 /nfs/dbraw/zinc/38/83/64/205388364.db2.gz ZLIMGRAFPHTSRJ-GOSISDBHSA-N 1 2 375.432 3.686 50 0 GHAALO Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc(Cn4cc[nH+]c4)o3)[nH]c2c1 ZINC000082147930 205388368 /nfs/dbraw/zinc/38/83/68/205388368.db2.gz ZLIMGRAFPHTSRJ-GOSISDBHSA-N 1 2 375.432 3.686 50 0 GHAALO O=C(c1cccc(Cl)c1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095526112 205490732 /nfs/dbraw/zinc/49/07/32/205490732.db2.gz XXFUVHMZRJRQBT-GOSISDBHSA-N 1 2 380.879 4.000 50 0 GHAALO COCCn1c(C)cc2cc(NC(=O)NCc3c[nH+]cn3CC(C)C)ccc21 ZINC000096142098 205530503 /nfs/dbraw/zinc/53/05/03/205530503.db2.gz PHACRTZLGHJXMN-UHFFFAOYSA-N 1 2 383.496 3.770 50 0 GHAALO CC[N@H+](CC(=O)NCCCc1nc2ccccc2[nH]1)Cc1ccccc1Cl ZINC000225802180 206076890 /nfs/dbraw/zinc/07/68/90/206076890.db2.gz WJCBUEGOHAKDDY-UHFFFAOYSA-N 1 2 384.911 3.787 50 0 GHAALO CC[N@@H+](CC(=O)NCCCc1nc2ccccc2[nH]1)Cc1ccccc1Cl ZINC000225802180 206076897 /nfs/dbraw/zinc/07/68/97/206076897.db2.gz WJCBUEGOHAKDDY-UHFFFAOYSA-N 1 2 384.911 3.787 50 0 GHAALO O=C(c1ccc(Br)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033291520 206096930 /nfs/dbraw/zinc/09/69/30/206096930.db2.gz BSNORFDHMYLWOT-DAXSKMNVSA-N 1 2 385.305 3.920 50 0 GHAALO O[C@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000252480467 206138818 /nfs/dbraw/zinc/13/88/18/206138818.db2.gz CARJWYQUUWWKPG-OAQYLSRUSA-N 1 2 382.895 3.866 50 0 GHAALO Cc1cccn2cc(CN3CCN(C(=O)CCC4CCCCC4)CCC3=O)[nH+]c12 ZINC000299756144 206184812 /nfs/dbraw/zinc/18/48/12/206184812.db2.gz DDDLWBKHOAZEQT-UHFFFAOYSA-N 1 2 396.535 3.564 50 0 GHAALO CCOCCOc1cccc(NC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC000299801565 206194182 /nfs/dbraw/zinc/19/41/82/206194182.db2.gz ZIOVAISCAXBBLM-UHFFFAOYSA-N 1 2 385.464 3.572 50 0 GHAALO CC[C@@H](C)c1nc(N2CCN(C(C)=O)CC2)c(Cc2ccc(C)cc2)c(C)[nH+]1 ZINC000096317292 136186424 /nfs/dbraw/zinc/18/64/24/136186424.db2.gz FJKBNGOBIMELCL-QGZVFWFLSA-N 1 2 380.536 3.866 50 0 GHAALO CC(=O)N1CCN(c2nc(CC(C)C)[nH+]c(C)c2Cc2ccc(C)cc2)CC1 ZINC000096317316 136186491 /nfs/dbraw/zinc/18/64/91/136186491.db2.gz JLWIVRKDOPSURA-UHFFFAOYSA-N 1 2 380.536 3.551 50 0 GHAALO CC(C)c1ccc(Nc2nc(NCc3ccco3)[nH+]c(N3CCOCC3)n2)cc1 ZINC000000842759 136193098 /nfs/dbraw/zinc/19/30/98/136193098.db2.gz HXLGBQLQPXTICB-UHFFFAOYSA-N 1 2 394.479 3.780 50 0 GHAALO CCCc1sc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Br ZINC000016604063 136202043 /nfs/dbraw/zinc/20/20/43/136202043.db2.gz OKUHIQRMCDSHNR-UHFFFAOYSA-N 1 2 394.338 3.821 50 0 GHAALO O=C(Nc1ccc(-c2cscn2)cc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000096153365 570216192 /nfs/dbraw/zinc/21/61/92/570216192.db2.gz IZQZVPAOMFFDLW-SFHVURJKSA-N 1 2 386.521 3.529 50 0 GHAALO COc1cc(OC)c(OC)cc1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000019781822 570218791 /nfs/dbraw/zinc/21/87/91/570218791.db2.gz ZANSYNWAIYRBPV-UHFFFAOYSA-N 1 2 390.911 3.684 50 0 GHAALO COc1cc(OC)c(OC)cc1C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000019781822 570218793 /nfs/dbraw/zinc/21/87/93/570218793.db2.gz ZANSYNWAIYRBPV-UHFFFAOYSA-N 1 2 390.911 3.684 50 0 GHAALO COc1cc(OC)cc([C@H](Nc2nc(CC(C)C)ns2)c2[nH+]ccn2C)c1 ZINC000185130486 570226942 /nfs/dbraw/zinc/22/69/42/570226942.db2.gz 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ZINC000071889675 570270799 /nfs/dbraw/zinc/27/07/99/570270799.db2.gz HFPJAIXNHVHJPP-INIZCTEOSA-N 1 2 377.448 3.767 50 0 GHAALO O=C(/C=C\c1ccc(OC(F)F)cc1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020608507 570271557 /nfs/dbraw/zinc/27/15/57/570271557.db2.gz SFCFWSGLMSEHIW-YHYXMXQVSA-N 1 2 390.405 3.785 50 0 GHAALO CN(C(=O)C[N@@H+]1CCc2sccc2C1)[C@H](c1ccccc1)c1ccccn1 ZINC000049978818 570272779 /nfs/dbraw/zinc/27/27/79/570272779.db2.gz WFAZGWZPLVCWPR-JOCHJYFZSA-N 1 2 377.513 3.749 50 0 GHAALO CN(C(=O)C[N@H+]1CCc2sccc2C1)[C@H](c1ccccc1)c1ccccn1 ZINC000049978818 570272781 /nfs/dbraw/zinc/27/27/81/570272781.db2.gz WFAZGWZPLVCWPR-JOCHJYFZSA-N 1 2 377.513 3.749 50 0 GHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N(CCO)Cc2ccccc2)cc1Cl ZINC000020661973 570274133 /nfs/dbraw/zinc/27/41/33/570274133.db2.gz PEPTUFXRVLGFCW-UHFFFAOYSA-N 1 2 393.878 3.776 50 0 GHAALO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000035287177 570282018 /nfs/dbraw/zinc/28/20/18/570282018.db2.gz YJEOTNNCCNPLTQ-CABCVRRESA-N 1 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570302157 /nfs/dbraw/zinc/30/21/57/570302157.db2.gz YISOSHDXGSELGJ-HNNXBMFYSA-N 1 2 398.557 3.516 50 0 GHAALO O=C(c1csc(-c2cccs2)n1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000022385672 570315266 /nfs/dbraw/zinc/31/52/66/570315266.db2.gz ZZQOFTQYUWXAJR-UHFFFAOYSA-N 1 2 399.541 3.708 50 0 GHAALO CCCCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCc2cccnc2)C1 ZINC000034910045 570340436 /nfs/dbraw/zinc/34/04/36/570340436.db2.gz NFACNHZHNTZLNH-IBGZPJMESA-N 1 2 391.519 3.764 50 0 GHAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(N2CCSCC2)cc1C ZINC000050493613 570340684 /nfs/dbraw/zinc/34/06/84/570340684.db2.gz IWJISKHRFWIMIJ-UHFFFAOYSA-N 1 2 380.517 3.845 50 0 GHAALO O=C(C[N@@H+]1CCc2ccccc2C1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000035380161 570347441 /nfs/dbraw/zinc/34/74/41/570347441.db2.gz CUWXNCMFCKSONL-IBGZPJMESA-N 1 2 375.428 3.609 50 0 GHAALO O=C(C[N@H+]1CCc2ccccc2C1)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000035380161 570347443 /nfs/dbraw/zinc/34/74/43/570347443.db2.gz CUWXNCMFCKSONL-IBGZPJMESA-N 1 2 375.428 3.609 50 0 GHAALO Cc1ccc(CNC(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000035404213 570351289 /nfs/dbraw/zinc/35/12/89/570351289.db2.gz KZZZVZDDJLQZET-UHFFFAOYSA-N 1 2 386.499 3.586 50 0 GHAALO Cc1ccc(CNC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000035404213 570351292 /nfs/dbraw/zinc/35/12/92/570351292.db2.gz KZZZVZDDJLQZET-UHFFFAOYSA-N 1 2 386.499 3.586 50 0 GHAALO Fc1ccccc1C[NH+]1CCN(Cn2nc(-c3cccs3)[nH]c2=S)CC1 ZINC000023254227 570352889 /nfs/dbraw/zinc/35/28/89/570352889.db2.gz CICZQCJRZUJQCF-UHFFFAOYSA-N 1 2 389.525 3.584 50 0 GHAALO Cc1nc(-c2cccc(C[N@H+]3CCN(c4ccccc4)C[C@H]3C)c2)[nH]c(=O)c1F ZINC000023339968 570355252 /nfs/dbraw/zinc/35/52/52/570355252.db2.gz GKFITKITVXOBBI-MRXNPFEDSA-N 1 2 392.478 3.595 50 0 GHAALO Cc1nc(-c2cccc(C[N@@H+]3CCN(c4ccccc4)C[C@H]3C)c2)[nH]c(=O)c1F ZINC000023339968 570355254 /nfs/dbraw/zinc/35/52/54/570355254.db2.gz GKFITKITVXOBBI-MRXNPFEDSA-N 1 2 392.478 3.595 50 0 GHAALO Cc1ccc(C[N@@H+]2CCN(Cc3nc(-c4ccccc4)cs3)C[C@@H]2CCO)o1 ZINC000023374685 570358209 /nfs/dbraw/zinc/35/82/09/570358209.db2.gz TVQOCMBKQFWOMD-IBGZPJMESA-N 1 2 397.544 3.780 50 0 GHAALO Cc1ccc(C[N@H+]2CCN(Cc3nc(-c4ccccc4)cs3)C[C@@H]2CCO)o1 ZINC000023374685 570358210 /nfs/dbraw/zinc/35/82/10/570358210.db2.gz TVQOCMBKQFWOMD-IBGZPJMESA-N 1 2 397.544 3.780 50 0 GHAALO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000229526057 570377775 /nfs/dbraw/zinc/37/77/75/570377775.db2.gz HQVQURZMNGQANV-GXTWGEPZSA-N 1 2 398.334 3.559 50 0 GHAALO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000229526057 570377778 /nfs/dbraw/zinc/37/77/78/570377778.db2.gz HQVQURZMNGQANV-GXTWGEPZSA-N 1 2 398.334 3.559 50 0 GHAALO C[C@@H]1C[N@H+](CC(=O)NC2CCC(C(F)(F)F)CC2)C[C@@H](c2ccccc2)O1 ZINC000229668538 570378294 /nfs/dbraw/zinc/37/82/94/570378294.db2.gz UBVITWSMCADBEF-LTDKPHRXSA-N 1 2 384.442 3.686 50 0 GHAALO C[C@@H]1C[N@@H+](CC(=O)NC2CCC(C(F)(F)F)CC2)C[C@@H](c2ccccc2)O1 ZINC000229668538 570378296 /nfs/dbraw/zinc/37/82/96/570378296.db2.gz UBVITWSMCADBEF-LTDKPHRXSA-N 1 2 384.442 3.686 50 0 GHAALO CC(C)(C)c1ccc(OCC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000024335612 570382142 /nfs/dbraw/zinc/38/21/42/570382142.db2.gz MLQKBMFJOPECRB-JOCHJYFZSA-N 1 2 396.531 3.553 50 0 GHAALO CC[N@@H+](Cc1ccc(Cl)s1)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C ZINC000024440417 570383930 /nfs/dbraw/zinc/38/39/30/570383930.db2.gz VIMAOSIPSJQHAB-STQMWFEESA-N 1 2 383.945 3.928 50 0 GHAALO CC[N@H+](Cc1ccc(Cl)s1)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C ZINC000024440417 570383932 /nfs/dbraw/zinc/38/39/32/570383932.db2.gz VIMAOSIPSJQHAB-STQMWFEESA-N 1 2 383.945 3.928 50 0 GHAALO O=C(NCCSc1ccc(Cl)cc1)NCc1cccnc1-n1cc[nH+]c1 ZINC000026388493 570425337 /nfs/dbraw/zinc/42/53/37/570425337.db2.gz UDRMIFNRJWFURX-UHFFFAOYSA-N 1 2 387.896 3.512 50 0 GHAALO CNC(=O)c1ccc(C[N@H+](Cc2ccco2)Cc2nc3ccccc3o2)cc1 ZINC000026925633 570430175 /nfs/dbraw/zinc/43/01/75/570430175.db2.gz XMJJVKCZFCDIQQ-UHFFFAOYSA-N 1 2 375.428 3.983 50 0 GHAALO CNC(=O)c1ccc(C[N@@H+](Cc2ccco2)Cc2nc3ccccc3o2)cc1 ZINC000026925633 570430178 /nfs/dbraw/zinc/43/01/78/570430178.db2.gz XMJJVKCZFCDIQQ-UHFFFAOYSA-N 1 2 375.428 3.983 50 0 GHAALO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000027570450 570435819 /nfs/dbraw/zinc/43/58/19/570435819.db2.gz GTIWPGKJSCBHSM-AWEZNQCLSA-N 1 2 396.878 3.840 50 0 GHAALO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000027570450 570435821 /nfs/dbraw/zinc/43/58/21/570435821.db2.gz GTIWPGKJSCBHSM-AWEZNQCLSA-N 1 2 396.878 3.840 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)NCCSc1ccccc1)c1ccccc1F ZINC000029325763 570472144 /nfs/dbraw/zinc/47/21/44/570472144.db2.gz XBRPPRAQWIPVIW-GOSISDBHSA-N 1 2 384.480 3.740 50 0 GHAALO C[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCc2ccccc21 ZINC000029810953 570480844 /nfs/dbraw/zinc/48/08/44/570480844.db2.gz BGMVWMXKTIBIAA-GOSISDBHSA-N 1 2 394.334 3.842 50 0 GHAALO C[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCc2ccccc21 ZINC000029810953 570480845 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CC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CCCCC2)CC1 ZINC000009265313 204304992 /nfs/dbraw/zinc/30/49/92/204304992.db2.gz CNFCSBMWXCVLGU-UHFFFAOYSA-N 1 2 383.492 3.729 50 0 GHAALO COc1ccc2[nH]c(C)c(C(=O)C[NH+]3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000036007036 205001129 /nfs/dbraw/zinc/00/11/29/205001129.db2.gz GUPDHRWCGKVNBA-UHFFFAOYSA-N 1 2 381.451 3.629 50 0 GHAALO CC(C)Cc1noc(C[NH+]2CCC([C@H]3CCCCCN3C(=O)C3CC3)CC2)n1 ZINC000071890546 205029855 /nfs/dbraw/zinc/02/98/55/205029855.db2.gz YUWMJUQSKKNNGU-LJQANCHMSA-N 1 2 388.556 3.661 50 0 GHAALO CC[N@H+](Cc1nc(COc2ccc(F)cc2)no1)Cc1ccc2c(c1)OCCO2 ZINC000040067021 205048539 /nfs/dbraw/zinc/04/85/39/205048539.db2.gz ZUMIXHMDQTUPRR-UHFFFAOYSA-N 1 2 399.422 3.581 50 0 GHAALO CC[N@@H+](Cc1nc(COc2ccc(F)cc2)no1)Cc1ccc2c(c1)OCCO2 ZINC000040067021 205048542 /nfs/dbraw/zinc/04/85/42/205048542.db2.gz ZUMIXHMDQTUPRR-UHFFFAOYSA-N 1 2 399.422 3.581 50 0 GHAALO COC(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)c1 ZINC000040151752 205057668 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GHAALO Cc1nc(-n2cccn2)cc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)[nH+]1 ZINC000071754689 205291541 /nfs/dbraw/zinc/29/15/41/205291541.db2.gz BWWOGYCQXKLTIQ-INIZCTEOSA-N 1 2 390.274 3.855 50 0 GHAALO Cc1cccc2[nH+]c(C3CCN(c4ccnc(C(=O)NC(C)C)c4)CC3)[nH]c21 ZINC000072141653 205308930 /nfs/dbraw/zinc/30/89/30/205308930.db2.gz OTDRTFAQXFOSRD-UHFFFAOYSA-N 1 2 377.492 3.789 50 0 GHAALO Cc1cccc2[nH]c(C3CCN(c4ccnc(C(=O)NC(C)C)c4)CC3)[nH+]c21 ZINC000072141653 205308935 /nfs/dbraw/zinc/30/89/35/205308935.db2.gz OTDRTFAQXFOSRD-UHFFFAOYSA-N 1 2 377.492 3.789 50 0 GHAALO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000072304087 205321884 /nfs/dbraw/zinc/32/18/84/205321884.db2.gz FQESARYJHTXQRL-QFBILLFUSA-N 1 2 377.410 3.698 50 0 GHAALO COc1ccc(-c2nc3c(C)cccc3cc2C[N@@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000072454367 205352413 /nfs/dbraw/zinc/35/24/13/205352413.db2.gz ZKHBCEKNZSTVQX-MRXNPFEDSA-N 1 2 375.472 3.539 50 0 GHAALO COc1ccc(-c2nc3c(C)cccc3cc2C[N@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000072454367 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CCNc1cc(N2CCC[C@H](CCC(=O)N(C)Cc3ccccc3)C2)[nH+]cn1 ZINC000065245032 535519929 /nfs/dbraw/zinc/51/99/29/535519929.db2.gz RNMSUYUWZPJTQW-LJQANCHMSA-N 1 2 381.524 3.564 50 0 GHAALO C[N@H+](Cc1nc(-c2ccco2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911352 570216202 /nfs/dbraw/zinc/21/62/02/570216202.db2.gz PBVAIXKIINJLRL-BBRMVZONSA-N 1 2 380.231 3.727 50 0 GHAALO C[N@@H+](Cc1nc(-c2ccco2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911352 570216204 /nfs/dbraw/zinc/21/62/04/570216204.db2.gz PBVAIXKIINJLRL-BBRMVZONSA-N 1 2 380.231 3.727 50 0 GHAALO COc1cc(OC)cc([C@@H](Nc2nc(CC(C)C)ns2)c2[nH+]ccn2C)c1 ZINC000185130505 570227037 /nfs/dbraw/zinc/22/70/37/570227037.db2.gz FTCWFFWZVYXRMG-QGZVFWFLSA-N 1 2 387.509 3.689 50 0 GHAALO O=c1[nH]c(=S)n(CCc2ccccc2)c2c1C[N@H+](CCc1ccccc1)CN2 ZINC000019939110 570232561 /nfs/dbraw/zinc/23/25/61/570232561.db2.gz NJKSWCORDKWIMY-UHFFFAOYSA-N 1 2 392.528 3.576 50 0 GHAALO O=c1[nH]c(=S)n(CCc2ccccc2)c2c1C[N@@H+](CCc1ccccc1)CN2 ZINC000019939110 570232562 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CCOc1ccccc1C[N@H+]1CCN(Cc2c[nH]c3ccccc23)C[C@@H]1CCO ZINC000020779120 570280005 /nfs/dbraw/zinc/28/00/05/570280005.db2.gz AXXUPFFZUGADBD-NRFANRHFSA-N 1 2 393.531 3.635 50 0 GHAALO CC(C)=CCN1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@@H]1CCO ZINC000020995712 570286286 /nfs/dbraw/zinc/28/62/86/570286286.db2.gz VUJJVVQHSVLVCC-FQEVSTJZSA-N 1 2 388.943 3.565 50 0 GHAALO CC(C)=CCN1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@@H]1CCO ZINC000020995712 570286288 /nfs/dbraw/zinc/28/62/88/570286288.db2.gz VUJJVVQHSVLVCC-FQEVSTJZSA-N 1 2 388.943 3.565 50 0 GHAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1F ZINC000012911662 570291822 /nfs/dbraw/zinc/29/18/22/570291822.db2.gz PLIPTCYLURBDJE-UHFFFAOYSA-N 1 2 385.483 3.546 50 0 GHAALO COc1ccc(C[N@H+](C)[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1F ZINC000012923865 570295390 /nfs/dbraw/zinc/29/53/90/570295390.db2.gz UABHTEZXIDUIFU-HXUWFJFHSA-N 1 2 383.423 3.943 50 0 GHAALO COc1ccc(C[N@@H+](C)[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1F ZINC000012923865 570295391 /nfs/dbraw/zinc/29/53/91/570295391.db2.gz UABHTEZXIDUIFU-HXUWFJFHSA-N 1 2 383.423 3.943 50 0 GHAALO C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012930859 570301058 /nfs/dbraw/zinc/30/10/58/570301058.db2.gz OEUHYXRXYSVUGK-CQSZACIVSA-N 1 2 387.430 3.643 50 0 GHAALO COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H]2c2ccccc2F)c(OC)c1 ZINC000072308980 570304237 /nfs/dbraw/zinc/30/42/37/570304237.db2.gz QDTSTZRYZVGEAL-NHCUHLMSSA-N 1 2 398.478 3.953 50 0 GHAALO COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@@H]2c2ccccc2F)c(OC)c1 ZINC000072308980 570304241 /nfs/dbraw/zinc/30/42/41/570304241.db2.gz QDTSTZRYZVGEAL-NHCUHLMSSA-N 1 2 398.478 3.953 50 0 GHAALO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022912426 570333556 /nfs/dbraw/zinc/33/35/56/570333556.db2.gz UKNBWPGWMDZUIG-AWEZNQCLSA-N 1 2 393.940 3.555 50 0 GHAALO COc1ccc(Br)c(C(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000575611636 570335829 /nfs/dbraw/zinc/33/58/29/570335829.db2.gz FEHGZRNQOASDFF-HNNXBMFYSA-N 1 2 391.265 3.536 50 0 GHAALO COc1ccc(Br)c(C(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000575611638 570336189 /nfs/dbraw/zinc/33/61/89/570336189.db2.gz FEHGZRNQOASDFF-OAHLLOKOSA-N 1 2 391.265 3.536 50 0 GHAALO O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000023101588 570343762 /nfs/dbraw/zinc/34/37/62/570343762.db2.gz ULXUJGUGNOHYCF-UHFFFAOYSA-N 1 2 394.450 3.725 50 0 GHAALO Cc1cc(C)cc(C(=O)N2CCN(c3[nH+]ccn3-c3ccccc3F)CC2)c1 ZINC000011695684 570344031 /nfs/dbraw/zinc/34/40/31/570344031.db2.gz MTOGYIBEJLHGOD-UHFFFAOYSA-N 1 2 378.451 3.591 50 0 GHAALO COc1ccc(Br)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000055543403 570351287 /nfs/dbraw/zinc/35/12/87/570351287.db2.gz ODXKMNKWPILOGC-UHFFFAOYSA-N 1 2 379.273 3.919 50 0 GHAALO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C(=O)N3CCC(F)CC3)s2)[nH]n1 ZINC000023379941 570359014 /nfs/dbraw/zinc/35/90/14/570359014.db2.gz AVPKRFQRNFZHCB-MRXNPFEDSA-N 1 2 376.501 3.691 50 0 GHAALO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(C(=O)N3CCC(F)CC3)s2)[nH]n1 ZINC000023379941 570359017 /nfs/dbraw/zinc/35/90/17/570359017.db2.gz AVPKRFQRNFZHCB-MRXNPFEDSA-N 1 2 376.501 3.691 50 0 GHAALO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000023381320 570359293 /nfs/dbraw/zinc/35/92/93/570359293.db2.gz IHXVZBWUHOCRCP-XMMPIXPASA-N 1 2 385.467 3.623 50 0 GHAALO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CCc3ccccc3C2)C1=O ZINC000023381320 570359295 /nfs/dbraw/zinc/35/92/95/570359295.db2.gz IHXVZBWUHOCRCP-XMMPIXPASA-N 1 2 385.467 3.623 50 0 GHAALO c1ccc2c(c1)OCC[C@H]2Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000118166802 570373957 /nfs/dbraw/zinc/37/39/57/570373957.db2.gz WYMCTPRUKJYRBA-SFHVURJKSA-N 1 2 391.471 3.678 50 0 GHAALO C[N@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H](C(=O)NC(N)=O)c1ccccc1 ZINC000023872986 570374333 /nfs/dbraw/zinc/37/43/33/570374333.db2.gz IHMGRBGXYOLRAI-LJQANCHMSA-N 1 2 397.862 3.968 50 0 GHAALO C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H](C(=O)NC(N)=O)c1ccccc1 ZINC000023872986 570374340 /nfs/dbraw/zinc/37/43/40/570374340.db2.gz IHMGRBGXYOLRAI-LJQANCHMSA-N 1 2 397.862 3.968 50 0 GHAALO C[C@H](c1cccs1)[N@H+](C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000024114098 570379212 /nfs/dbraw/zinc/37/92/12/570379212.db2.gz VQUKPVPXSLJXSF-GFCCVEGCSA-N 1 2 388.352 3.977 50 0 GHAALO C[C@H](c1cccs1)[N@@H+](C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000024114098 570379214 /nfs/dbraw/zinc/37/92/14/570379214.db2.gz VQUKPVPXSLJXSF-GFCCVEGCSA-N 1 2 388.352 3.977 50 0 GHAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000024208155 570380768 /nfs/dbraw/zinc/38/07/68/570380768.db2.gz YOFSICWRWXLXTL-IBGZPJMESA-N 1 2 392.421 3.817 50 0 GHAALO Cc1ccc(C)c(SCC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000025337112 570411302 /nfs/dbraw/zinc/41/13/02/570411302.db2.gz VDGZDNGPJSFVNO-WMZHIEFXSA-N 1 2 398.572 3.974 50 0 GHAALO Cc1ccc(C)c(SCC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000025337109 570411424 /nfs/dbraw/zinc/41/14/24/570411424.db2.gz VDGZDNGPJSFVNO-AUSIDOKSSA-N 1 2 398.572 3.974 50 0 GHAALO Cc1nc(CN2CC[NH+](CC3=Cc4cc(Cl)ccc4OC3)CC2)cs1 ZINC000123933388 570436306 /nfs/dbraw/zinc/43/63/06/570436306.db2.gz GNCXFZHFUMNBAI-UHFFFAOYSA-N 1 2 375.925 3.699 50 0 GHAALO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)C(=O)Nc1cccc3ncccc31)CC2 ZINC000030674917 570493393 /nfs/dbraw/zinc/49/33/93/570493393.db2.gz KHDXZWPXMTUKDO-OAHLLOKOSA-N 1 2 391.471 3.637 50 0 GHAALO COc1cc2c(cc1OC)C[N@H+]([C@H](C)C(=O)Nc1cccc3ncccc31)CC2 ZINC000030674917 570493395 /nfs/dbraw/zinc/49/33/95/570493395.db2.gz KHDXZWPXMTUKDO-OAHLLOKOSA-N 1 2 391.471 3.637 50 0 GHAALO COc1cccc(N2CC[NH+](Cc3coc4ccc(Cl)cc4c3=O)CC2)c1 ZINC000023280876 570537308 /nfs/dbraw/zinc/53/73/08/570537308.db2.gz HMCIEQWMQODFDT-UHFFFAOYSA-N 1 2 384.863 3.777 50 0 GHAALO NNc1nc(N(c2ccccc2)c2ccccc2)nc(OCC(F)(F)F)[nH+]1 ZINC000000850709 570662672 /nfs/dbraw/zinc/66/26/72/570662672.db2.gz VBCBGESGNOMXSW-UHFFFAOYSA-N 1 2 376.342 3.568 50 0 GHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)N1CCCCC1 ZINC000004341636 570676586 /nfs/dbraw/zinc/67/65/86/570676586.db2.gz IHVQJRNAPYGBQI-UHFFFAOYSA-N 1 2 387.896 3.574 50 0 GHAALO Cc1ccccc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000000929252 570726313 /nfs/dbraw/zinc/72/63/13/570726313.db2.gz MLOZTDZNRFTFCN-UHFFFAOYSA-N 1 2 375.457 3.855 50 0 GHAALO O=C(CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2)NCCc1ccc(F)cc1 ZINC000032752900 570792268 /nfs/dbraw/zinc/79/22/68/570792268.db2.gz KZZJDQYUDORWDJ-UHFFFAOYSA-N 1 2 398.438 3.840 50 0 GHAALO O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000033071675 570803008 /nfs/dbraw/zinc/80/30/08/570803008.db2.gz NTQSQXHBZYOGPJ-MRXNPFEDSA-N 1 2 382.895 3.792 50 0 GHAALO CC(C)CC(=O)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000033106713 570811581 /nfs/dbraw/zinc/81/15/81/570811581.db2.gz FDPZHFOUSWDMRQ-UHFFFAOYSA-N 1 2 376.504 3.779 50 0 GHAALO COc1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccsc3)CC2)cc1Cl ZINC000022933237 570814536 /nfs/dbraw/zinc/81/45/36/570814536.db2.gz QPBXCGUHWSSTLP-CQSZACIVSA-N 1 2 393.940 3.555 50 0 GHAALO CS(=O)(=O)c1cccc(C(=O)Nc2c3ccccc3[nH+]c3c2CCCC3)c1 ZINC000032801950 570820688 /nfs/dbraw/zinc/82/06/88/570820688.db2.gz PADQEUPQVKOBPT-UHFFFAOYSA-N 1 2 380.469 3.769 50 0 GHAALO C[C@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547852 570849384 /nfs/dbraw/zinc/84/93/84/570849384.db2.gz DJIUODHUZQPYFO-FUHWJXTLSA-N 1 2 398.507 3.697 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(Cl)cc1 ZINC000012548224 570849803 /nfs/dbraw/zinc/84/98/03/570849803.db2.gz KQKRKVRIAIFMNN-IBGZPJMESA-N 1 2 391.862 3.983 50 0 GHAALO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCCCC2)c1 ZINC000012561552 570865750 /nfs/dbraw/zinc/86/57/50/570865750.db2.gz TYJVRJCLSMHCFR-UHFFFAOYSA-N 1 2 394.519 3.706 50 0 GHAALO CC(=O)Nc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2N2CCCCC2)c1 ZINC000012561552 570865753 /nfs/dbraw/zinc/86/57/53/570865753.db2.gz TYJVRJCLSMHCFR-UHFFFAOYSA-N 1 2 394.519 3.706 50 0 GHAALO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2nonc2C)c1 ZINC000014967354 570867165 /nfs/dbraw/zinc/86/71/65/570867165.db2.gz JPSUJAIHHOVOQM-UHFFFAOYSA-N 1 2 389.459 3.871 50 0 GHAALO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)Cc2nonc2C)c1 ZINC000014967354 570867167 /nfs/dbraw/zinc/86/71/67/570867167.db2.gz JPSUJAIHHOVOQM-UHFFFAOYSA-N 1 2 389.459 3.871 50 0 GHAALO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000170611636 570867265 /nfs/dbraw/zinc/86/72/65/570867265.db2.gz ZHRLBBJFWHRNTN-UHFFFAOYSA-N 1 2 375.428 3.886 50 0 GHAALO Cc1cc(OCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)ccc1Cl ZINC000012579895 570876823 /nfs/dbraw/zinc/87/68/23/570876823.db2.gz OKRUVJDPCWDJMO-LJQANCHMSA-N 1 2 387.842 3.806 50 0 GHAALO C[C@@H]1CN(C(=O)c2ccc(SCc3cn4ccccc4[nH+]3)cc2)C[C@@H](C)O1 ZINC000012581153 570878300 /nfs/dbraw/zinc/87/83/00/570878300.db2.gz ZHNBSYIYHSAIRM-HZPDHXFCSA-N 1 2 381.501 3.876 50 0 GHAALO Cc1ccc([C@H](CNC(=O)Cc2cccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000023105848 570904891 /nfs/dbraw/zinc/90/48/91/570904891.db2.gz ICCVQRKZHJYLQC-DEOSSOPVSA-N 1 2 388.511 3.880 50 0 GHAALO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@@H](C)C(=O)Nc4cc(C)on4)CC3)c2c1 ZINC000047257378 570950604 /nfs/dbraw/zinc/95/06/04/570950604.db2.gz BJBXSLDTMRGIEH-AWEZNQCLSA-N 1 2 380.448 3.589 50 0 GHAALO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H](C)C(=O)Nc4cc(C)on4)CC3)c2c1 ZINC000047257378 570950609 /nfs/dbraw/zinc/95/06/09/570950609.db2.gz BJBXSLDTMRGIEH-AWEZNQCLSA-N 1 2 380.448 3.589 50 0 GHAALO CCOc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1 ZINC000252444184 570957088 /nfs/dbraw/zinc/95/70/88/570957088.db2.gz MGKDPMCXZYEEKX-GTCCEBARSA-N 1 2 385.508 3.680 50 0 GHAALO CCOc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1 ZINC000252444184 570957091 /nfs/dbraw/zinc/95/70/91/570957091.db2.gz MGKDPMCXZYEEKX-GTCCEBARSA-N 1 2 385.508 3.680 50 0 GHAALO Cc1nc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)sc1C ZINC000001346272 570959107 /nfs/dbraw/zinc/95/91/07/570959107.db2.gz NPBMPGPDPOTBHX-UHFFFAOYSA-N 1 2 396.501 3.620 50 0 GHAALO Cc1cc(NC(=O)NCCCn2cc[nH+]c2)n(-c2ccccc2C(F)(F)F)n1 ZINC000043789714 570976046 /nfs/dbraw/zinc/97/60/46/570976046.db2.gz MHTYILDAOXPSEK-UHFFFAOYSA-N 1 2 392.385 3.608 50 0 GHAALO COc1ccc(C(=O)CCC(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)cc1 ZINC000095497069 571074441 /nfs/dbraw/zinc/07/44/41/571074441.db2.gz CIEDAFIJVIXTSR-UHFFFAOYSA-N 1 2 383.492 3.842 50 0 GHAALO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3ccc(F)c(Cl)c3)C2)N1Cc1cscn1 ZINC000095507213 571079397 /nfs/dbraw/zinc/07/93/97/571079397.db2.gz RJHLDCRUIZPMSX-DZGCQCFKSA-N 1 2 379.888 3.559 50 0 GHAALO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc(F)c(Cl)c3)C2)N1Cc1cscn1 ZINC000095507213 571079401 /nfs/dbraw/zinc/07/94/01/571079401.db2.gz RJHLDCRUIZPMSX-DZGCQCFKSA-N 1 2 379.888 3.559 50 0 GHAALO CCn1cc[nH+]c1C1CCN(C(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000095518020 571084956 /nfs/dbraw/zinc/08/49/56/571084956.db2.gz PIJXCVYAGHTKND-UHFFFAOYSA-N 1 2 377.492 3.725 50 0 GHAALO CCc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)s1 ZINC000095528839 571092036 /nfs/dbraw/zinc/09/20/36/571092036.db2.gz PXRWVFNWHQPWHF-MRXNPFEDSA-N 1 2 380.517 3.970 50 0 GHAALO Cc1cccc2c(CCNC(=O)N3CCCC[C@@H]3CCn3cc[nH+]c3)c[nH]c21 ZINC000584895243 841187830 /nfs/dbraw/zinc/18/78/30/841187830.db2.gz PQCVSUORTPAZQW-LJQANCHMSA-N 1 2 379.508 3.870 50 0 GHAALO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000056945376 861847082 /nfs/dbraw/zinc/84/70/82/861847082.db2.gz XWAMFAMTPQYRIZ-OAQYLSRUSA-N 1 2 375.472 3.573 50 0 GHAALO CC(C)NC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC000069843280 857094812 /nfs/dbraw/zinc/09/48/12/857094812.db2.gz XEBJRTMYNYBELI-SFHVURJKSA-N 1 2 391.560 3.768 50 0 GHAALO CCCc1nc(CN(CC)Cc2ccccc2OCCCn2cc[nH+]c2)no1 ZINC000823023353 862927696 /nfs/dbraw/zinc/92/76/96/862927696.db2.gz VYKKKQQOABSAPR-UHFFFAOYSA-N 1 2 383.496 3.710 50 0 GHAALO CC[NH+]1CCN(c2ncc3c(n2)C[C@H](c2ccc(C(C)C)cc2)CC3=O)CC1 ZINC000002439623 859180183 /nfs/dbraw/zinc/18/01/83/859180183.db2.gz MFFSGUHHOMHNMJ-IBGZPJMESA-N 1 2 378.520 3.655 50 0 GHAALO Cc1n[nH]c(C2CC[NH+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC2)n1 ZINC000328590541 860176224 /nfs/dbraw/zinc/17/62/24/860176224.db2.gz UCPNVVSPNYNOLV-HXUWFJFHSA-N 1 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COc1cccc(CC(=O)N2CC[C@@H](Cn3c(C)c[nH+]c3-c3ccccc3)C2)c1 ZINC000575557660 878328092 /nfs/dbraw/zinc/32/80/92/878328092.db2.gz HFTDMUGUZZWFLO-HXUWFJFHSA-N 1 2 389.499 3.958 50 0 GHAALO CC(C)c1cc(C[NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)no1 ZINC000670457976 893571165 /nfs/dbraw/zinc/57/11/65/893571165.db2.gz JKSPQTVGQJTWPC-UHFFFAOYSA-N 1 2 375.900 3.980 50 0 GHAALO COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ncccc2C)CC1 ZINC000585084804 897192845 /nfs/dbraw/zinc/19/28/45/897192845.db2.gz LMODRYLONORAJZ-KRWDZBQOSA-N 1 2 383.492 3.577 50 0 GHAALO CCc1noc([C@@H](C)N2CC[NH+](Cc3ccccc3Oc3cccnc3)CC2)n1 ZINC000106136405 905603917 /nfs/dbraw/zinc/60/39/17/905603917.db2.gz QMCITPIUTBKRSY-QGZVFWFLSA-N 1 2 393.491 3.698 50 0 GHAALO Cn1cc[nH+]c1-c1ccc(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000426443037 231222253 /nfs/dbraw/zinc/22/22/53/231222253.db2.gz RJULOAUOYMCZAJ-UHFFFAOYSA-N 1 2 379.435 3.910 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCOC[C@H]4CC)csc3C2)nc1 ZINC000426431114 529643585 /nfs/dbraw/zinc/64/35/85/529643585.db2.gz MJLQGWKMUCVMFV-GOSISDBHSA-N 1 2 399.560 3.515 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCOC[C@H]4CC)csc3C2)nc1 ZINC000426431114 529643586 /nfs/dbraw/zinc/64/35/86/529643586.db2.gz MJLQGWKMUCVMFV-GOSISDBHSA-N 1 2 399.560 3.515 50 0 GHAALO COCCNC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2CC2CCCCC2)C1 ZINC000034906547 203854726 /nfs/dbraw/zinc/85/47/26/203854726.db2.gz CSCWPXZVKAGZHH-LJQANCHMSA-N 1 2 398.551 3.596 50 0 GHAALO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)n(-c2ccc(C)cc2)n1 ZINC000007855719 204254268 /nfs/dbraw/zinc/25/42/68/204254268.db2.gz LIVTXTHJMRHQRR-FQEVSTJZSA-N 1 2 377.492 3.603 50 0 GHAALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)n(-c2ccc(C)cc2)n1 ZINC000007855719 204254270 /nfs/dbraw/zinc/25/42/70/204254270.db2.gz LIVTXTHJMRHQRR-FQEVSTJZSA-N 1 2 377.492 3.603 50 0 GHAALO C[N@H+](CC(=O)Nc1ccccc1Cl)Cc1cc(Cl)cc2c1OCOC2 ZINC000007912389 204255202 /nfs/dbraw/zinc/25/52/02/204255202.db2.gz YHAFWLBIVWVJHP-UHFFFAOYSA-N 1 2 381.259 3.930 50 0 GHAALO C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cc(Cl)cc2c1OCOC2 ZINC000007912389 204255206 /nfs/dbraw/zinc/25/52/06/204255206.db2.gz YHAFWLBIVWVJHP-UHFFFAOYSA-N 1 2 381.259 3.930 50 0 GHAALO C[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)Cc1ccccc1Cl ZINC000007929609 204255440 /nfs/dbraw/zinc/25/54/40/204255440.db2.gz RQHXBMHTUPRCMD-UHFFFAOYSA-N 1 2 392.684 3.742 50 0 GHAALO C[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)Cc1ccccc1Cl ZINC000007929609 204255445 /nfs/dbraw/zinc/25/54/45/204255445.db2.gz RQHXBMHTUPRCMD-UHFFFAOYSA-N 1 2 392.684 3.742 50 0 GHAALO CCc1noc(C)c1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000008981923 204295424 /nfs/dbraw/zinc/29/54/24/204295424.db2.gz QEPXSAPBVYPLOS-UHFFFAOYSA-N 1 2 382.489 3.813 50 0 GHAALO CCc1noc(C)c1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000008981923 204295427 /nfs/dbraw/zinc/29/54/27/204295427.db2.gz QEPXSAPBVYPLOS-UHFFFAOYSA-N 1 2 382.489 3.813 50 0 GHAALO C[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008012685 204259557 /nfs/dbraw/zinc/25/95/57/204259557.db2.gz MSSLBDVYBPIQMK-VGSWGCGISA-N 1 2 391.471 3.921 50 0 GHAALO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310284 204270599 /nfs/dbraw/zinc/27/05/99/204270599.db2.gz OFQVQDHKDWCVDO-HXUWFJFHSA-N 1 2 394.471 3.826 50 0 GHAALO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310284 204270600 /nfs/dbraw/zinc/27/06/00/204270600.db2.gz OFQVQDHKDWCVDO-HXUWFJFHSA-N 1 2 394.471 3.826 50 0 GHAALO Cc1c(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)cnn1C ZINC000011816794 204353829 /nfs/dbraw/zinc/35/38/29/204353829.db2.gz MPAFPKGGHKLMOW-HXUWFJFHSA-N 1 2 391.475 3.519 50 0 GHAALO Cc1c(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)cnn1C ZINC000011816794 204353834 /nfs/dbraw/zinc/35/38/34/204353834.db2.gz MPAFPKGGHKLMOW-HXUWFJFHSA-N 1 2 391.475 3.519 50 0 GHAALO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000011844271 204358232 /nfs/dbraw/zinc/35/82/32/204358232.db2.gz RBXXXXOXXKRIKC-MRXNPFEDSA-N 1 2 395.434 3.979 50 0 GHAALO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000011844271 204358235 /nfs/dbraw/zinc/35/82/35/204358235.db2.gz RBXXXXOXXKRIKC-MRXNPFEDSA-N 1 2 395.434 3.979 50 0 GHAALO CCc1ccc(-c2cn3c(C(=O)N(C)Cc4[nH+]ccn4C)csc3n2)cc1 ZINC000012306911 204394389 /nfs/dbraw/zinc/39/43/89/204394389.db2.gz NUMNNZKVODEYOI-UHFFFAOYSA-N 1 2 379.489 3.631 50 0 GHAALO CCCCc1[nH+]c2ccccc2n1C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000023387566 204805474 /nfs/dbraw/zinc/80/54/74/204805474.db2.gz PKSQCHMLFAEMRU-QGZVFWFLSA-N 1 2 382.460 3.685 50 0 GHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cncc(Br)c1 ZINC000040122075 205055183 /nfs/dbraw/zinc/05/51/83/205055183.db2.gz IUBOCJBBWJXEMH-UHFFFAOYSA-N 1 2 389.297 3.550 50 0 GHAALO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1cnn(CC)c1 ZINC000043646202 205083739 /nfs/dbraw/zinc/08/37/39/205083739.db2.gz UBPGHFXIPIGGTB-UHFFFAOYSA-N 1 2 396.495 3.623 50 0 GHAALO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN2Cc2[nH]cc[nH+]2)cc1 ZINC000046072985 205104372 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O=C(C[N@@H+]1CCc2sccc2C1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000058827270 205179051 /nfs/dbraw/zinc/17/90/51/205179051.db2.gz CTQDYCYBTUSWJB-JOCHJYFZSA-N 1 2 377.513 3.540 50 0 GHAALO O=C(C[N@H+]1CCc2sccc2C1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000058827270 205179054 /nfs/dbraw/zinc/17/90/54/205179054.db2.gz CTQDYCYBTUSWJB-JOCHJYFZSA-N 1 2 377.513 3.540 50 0 GHAALO CCNc1cc(N2CCC(CCC(=O)Nc3ccc(OC)cc3)CC2)nc[nH+]1 ZINC000065274012 205225897 /nfs/dbraw/zinc/22/58/97/205225897.db2.gz AMXXBIURKFGHNJ-UHFFFAOYSA-N 1 2 383.496 3.552 50 0 GHAALO CCNc1cc(N2CCC(CCC(=O)Nc3ccc(OC)cc3)CC2)[nH+]cn1 ZINC000065274012 205225899 /nfs/dbraw/zinc/22/58/99/205225899.db2.gz AMXXBIURKFGHNJ-UHFFFAOYSA-N 1 2 383.496 3.552 50 0 GHAALO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000065492998 205235721 /nfs/dbraw/zinc/23/57/21/205235721.db2.gz YRZBKCUNQATIRB-KRWDZBQOSA-N 1 2 379.464 3.682 50 0 GHAALO Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(Cc1c[nH+]c[nH]1)C2 ZINC000067673921 205254549 /nfs/dbraw/zinc/25/45/49/205254549.db2.gz VQWJZFWLZOQYGA-UHFFFAOYSA-N 1 2 378.457 3.787 50 0 GHAALO Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(Cc1c[nH]c[nH+]1)C2 ZINC000067673921 205254553 /nfs/dbraw/zinc/25/45/53/205254553.db2.gz VQWJZFWLZOQYGA-UHFFFAOYSA-N 1 2 378.457 3.787 50 0 GHAALO Fc1cccc(-c2noc3c2C[N@H+](Cc2cnc(-c4ccccn4)nc2)CC3)c1 ZINC000067884998 205265856 /nfs/dbraw/zinc/26/58/56/205265856.db2.gz RCKAXUZPXLIWFJ-UHFFFAOYSA-N 1 2 387.418 3.891 50 0 GHAALO Fc1cccc(-c2noc3c2C[N@@H+](Cc2cnc(-c4ccccn4)nc2)CC3)c1 ZINC000067884998 205265860 /nfs/dbraw/zinc/26/58/60/205265860.db2.gz RCKAXUZPXLIWFJ-UHFFFAOYSA-N 1 2 387.418 3.891 50 0 GHAALO COc1coc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)cc1=O ZINC000071551957 205285429 /nfs/dbraw/zinc/28/54/29/205285429.db2.gz GJZONPLBPGNMGE-LJQANCHMSA-N 1 2 377.440 3.897 50 0 GHAALO COc1coc(C[N@H+]2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)cc1=O ZINC000071551957 205285433 /nfs/dbraw/zinc/28/54/33/205285433.db2.gz GJZONPLBPGNMGE-LJQANCHMSA-N 1 2 377.440 3.897 50 0 GHAALO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1Cn1cccn1 ZINC000071764925 205295324 /nfs/dbraw/zinc/29/53/24/205295324.db2.gz JMXDMNXSOHAQFS-QFIPXVFZSA-N 1 2 381.451 3.653 50 0 GHAALO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1Cn1cccn1 ZINC000071764925 205295330 /nfs/dbraw/zinc/29/53/30/205295330.db2.gz JMXDMNXSOHAQFS-QFIPXVFZSA-N 1 2 381.451 3.653 50 0 GHAALO Cc1c(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cccc1NC(=O)c1ccccc1 ZINC000069483845 205276595 /nfs/dbraw/zinc/27/65/95/205276595.db2.gz MPGIFYQWIRAHDO-OAHLLOKOSA-N 1 2 377.448 3.654 50 0 GHAALO O=C1NC[C@@]2(CCC[N@@H+](Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)C2)O1 ZINC000072161340 205312671 /nfs/dbraw/zinc/31/26/71/205312671.db2.gz OYIIJCLWYOAJFI-QGZVFWFLSA-N 1 2 397.422 3.903 50 0 GHAALO O=C1NC[C@@]2(CCC[N@H+](Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)C2)O1 ZINC000072161340 205312675 /nfs/dbraw/zinc/31/26/75/205312675.db2.gz OYIIJCLWYOAJFI-QGZVFWFLSA-N 1 2 397.422 3.903 50 0 GHAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCN(C)[C@@H](C)C2)cc1 ZINC000072428817 205351202 /nfs/dbraw/zinc/35/12/02/205351202.db2.gz BQVDEEHDBHKWGH-KRWDZBQOSA-N 1 2 394.494 3.823 50 0 GHAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCN(C)[C@@H](C)C2)cc1 ZINC000072428817 205351207 /nfs/dbraw/zinc/35/12/07/205351207.db2.gz BQVDEEHDBHKWGH-KRWDZBQOSA-N 1 2 394.494 3.823 50 0 GHAALO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000072462521 205352559 /nfs/dbraw/zinc/35/25/59/205352559.db2.gz AFRRJKZSKKNVCW-MRXNPFEDSA-N 1 2 375.472 3.539 50 0 GHAALO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCNC(=O)[C@H]2C)cc1 ZINC000072462521 205352562 /nfs/dbraw/zinc/35/25/62/205352562.db2.gz AFRRJKZSKKNVCW-MRXNPFEDSA-N 1 2 375.472 3.539 50 0 GHAALO C[N@@H+]1CCN(C(=O)c2ccc(Br)cc2F)[C@H](c2ccccc2)C1 ZINC000030030141 206071241 /nfs/dbraw/zinc/07/12/41/206071241.db2.gz SZXDJQVZSMRAOZ-KRWDZBQOSA-N 1 2 377.257 3.717 50 0 GHAALO C[N@H+]1CCN(C(=O)c2ccc(Br)cc2F)[C@H](c2ccccc2)C1 ZINC000030030141 206071246 /nfs/dbraw/zinc/07/12/46/206071246.db2.gz SZXDJQVZSMRAOZ-KRWDZBQOSA-N 1 2 377.257 3.717 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCCc1ccc(Cl)cc1)c1ccccc1F ZINC000029317249 206058277 /nfs/dbraw/zinc/05/82/77/206058277.db2.gz BMTOWJNVANTTJH-SFHVURJKSA-N 1 2 386.858 3.844 50 0 GHAALO COc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)c(OC(C)C)c1 ZINC000239366958 206124463 /nfs/dbraw/zinc/12/44/63/206124463.db2.gz AGXXMFKFJOCLOR-UHFFFAOYSA-N 1 2 398.503 3.875 50 0 GHAALO COc1ccc(CCN(C)C(=O)c2cccc(-c3c[nH]c(C)[nH+]3)c2)cc1OC ZINC000299766463 206186954 /nfs/dbraw/zinc/18/69/54/206186954.db2.gz DVKCXIWBFKDASC-UHFFFAOYSA-N 1 2 379.460 3.717 50 0 GHAALO CC1(C)C[C@@]1(C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1F ZINC000299778971 206190006 /nfs/dbraw/zinc/19/00/06/206190006.db2.gz PHQQLIXRUAIQLN-QHCPKHFHSA-N 1 2 382.479 3.543 50 0 GHAALO Cc1cc(C)[nH+]c(-c2cccc(C(=O)N3CCC(Oc4ncccn4)CC3)c2)c1 ZINC000299783879 206190544 /nfs/dbraw/zinc/19/05/44/206190544.db2.gz RGEQENUQRNDFGR-UHFFFAOYSA-N 1 2 388.471 3.839 50 0 GHAALO CSc1ccccc1-c1ccc(C(=O)N(C)C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000426519200 533029538 /nfs/dbraw/zinc/02/95/38/533029538.db2.gz GPBYGOVZMKCIIM-QGZVFWFLSA-N 1 2 384.545 3.868 50 0 GHAALO COc1cccc(NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)c1 ZINC000065245296 136161657 /nfs/dbraw/zinc/16/16/57/136161657.db2.gz JEHMDHGSFFJFIW-INIZCTEOSA-N 1 2 395.507 3.695 50 0 GHAALO COc1cccc(NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)c1 ZINC000065245296 136161658 /nfs/dbraw/zinc/16/16/58/136161658.db2.gz JEHMDHGSFFJFIW-INIZCTEOSA-N 1 2 395.507 3.695 50 0 GHAALO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(-c2ccccc2F)o1 ZINC000155587833 136195915 /nfs/dbraw/zinc/19/59/15/136195915.db2.gz IAPLJJIDFDWOPF-UHFFFAOYSA-N 1 2 381.407 3.878 50 0 GHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCc3ccncc3C)csc2C1 ZINC000426711304 534365247 /nfs/dbraw/zinc/36/52/47/534365247.db2.gz KUXIGRXVFQPRTP-UHFFFAOYSA-N 1 2 396.516 3.545 50 0 GHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCc3ccncc3C)csc2C1 ZINC000426711304 534365260 /nfs/dbraw/zinc/36/52/60/534365260.db2.gz KUXIGRXVFQPRTP-UHFFFAOYSA-N 1 2 396.516 3.545 50 0 GHAALO CCN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC000096167159 570218138 /nfs/dbraw/zinc/21/81/38/570218138.db2.gz JVTBYVMCNUWGEM-UHFFFAOYSA-N 1 2 387.455 3.804 50 0 GHAALO OCC[C@H]1CN(Cc2nc3ccccc3s2)CC[N@@H+]1Cc1ccccc1F ZINC000096834908 570232294 /nfs/dbraw/zinc/23/22/94/570232294.db2.gz YKRPVXUJOQKZPC-KRWDZBQOSA-N 1 2 385.508 3.504 50 0 GHAALO OCC[C@H]1CN(Cc2nc3ccccc3s2)CC[N@H+]1Cc1ccccc1F ZINC000096834908 570232302 /nfs/dbraw/zinc/23/23/02/570232302.db2.gz YKRPVXUJOQKZPC-KRWDZBQOSA-N 1 2 385.508 3.504 50 0 GHAALO OCC[C@H]1C[N@H+](Cc2nc3ccccc3s2)CCN1Cc1ccccc1F ZINC000096834908 570232304 /nfs/dbraw/zinc/23/23/04/570232304.db2.gz YKRPVXUJOQKZPC-KRWDZBQOSA-N 1 2 385.508 3.504 50 0 GHAALO OCC[C@H]1C[N@@H+](Cc2nc3ccccc3s2)CCN1Cc1ccccc1F ZINC000096834908 570232308 /nfs/dbraw/zinc/23/23/08/570232308.db2.gz YKRPVXUJOQKZPC-KRWDZBQOSA-N 1 2 385.508 3.504 50 0 GHAALO Cc1cc(Cl)ccc1N1C(=O)C=C([NH2+]Nc2nc3ccccc3s2)C1O ZINC000000986397 570233323 /nfs/dbraw/zinc/23/33/23/570233323.db2.gz PLAYBMWYNWAIPR-ZDUSSCGKSA-N 1 2 386.864 3.507 50 0 GHAALO COC(=O)c1ccc2c(c1)nc(C[N@H+](Cc1ccco1)C1CCCC1)[nH]c2=O ZINC000048367901 570247694 /nfs/dbraw/zinc/24/76/94/570247694.db2.gz IGNQTUMFPSOFTN-UHFFFAOYSA-N 1 2 381.432 3.660 50 0 GHAALO COC(=O)c1ccc2c(c1)nc(C[N@@H+](Cc1ccco1)C1CCCC1)[nH]c2=O ZINC000048367901 570247697 /nfs/dbraw/zinc/24/76/97/570247697.db2.gz IGNQTUMFPSOFTN-UHFFFAOYSA-N 1 2 381.432 3.660 50 0 GHAALO Cc1cccc(OC[C@H](O)Cn2c3ccccc3n(Cc3ccccc3)c2=[NH2+])c1 ZINC000020266371 570250755 /nfs/dbraw/zinc/25/07/55/570250755.db2.gz IGVSAJYPJYGRQM-HXUWFJFHSA-N 1 2 387.483 3.719 50 0 GHAALO Fc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4cc(F)cc(F)c4)C3)CC2)cc1 ZINC000020294210 570251631 /nfs/dbraw/zinc/25/16/31/570251631.db2.gz WWGDPTQUQMECML-JOCHJYFZSA-N 1 2 389.465 3.891 50 0 GHAALO Fc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cc(F)cc(F)c4)C3)CC2)cc1 ZINC000020294210 570251634 /nfs/dbraw/zinc/25/16/34/570251634.db2.gz WWGDPTQUQMECML-JOCHJYFZSA-N 1 2 389.465 3.891 50 0 GHAALO CC(C)c1cc(-c2nc(COc3ccccc3)nn2CCc2c[nH]c[nH+]2)no1 ZINC000097732906 570252675 /nfs/dbraw/zinc/25/26/75/570252675.db2.gz FNJZVGRTGDMWRR-UHFFFAOYSA-N 1 2 378.436 3.601 50 0 GHAALO CC(C)c1cc(-c2nc(COc3ccccc3)nn2CCc2c[nH+]c[nH]2)no1 ZINC000097732906 570252679 /nfs/dbraw/zinc/25/26/79/570252679.db2.gz FNJZVGRTGDMWRR-UHFFFAOYSA-N 1 2 378.436 3.601 50 0 GHAALO Cc1nc(N2CCN(C(=O)C3CCCC3)CC2)c(Cc2cccc(F)c2)c(C)[nH+]1 ZINC000000694410 570292820 /nfs/dbraw/zinc/29/28/20/570292820.db2.gz QNSMIXCUGPNGPF-UHFFFAOYSA-N 1 2 396.510 3.662 50 0 GHAALO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000021798951 570296369 /nfs/dbraw/zinc/29/63/69/570296369.db2.gz ATFHTKOEXNEPTG-UHFFFAOYSA-N 1 2 388.450 3.565 50 0 GHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000021934976 570299622 /nfs/dbraw/zinc/29/96/22/570299622.db2.gz VXCPFHHEBPQFGK-UHFFFAOYSA-N 1 2 379.287 3.756 50 0 GHAALO CC(C)Oc1ccc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1 ZINC000022919772 570335778 /nfs/dbraw/zinc/33/57/78/570335778.db2.gz WPIRZRZDFZQBRO-QFIPXVFZSA-N 1 2 386.511 3.682 50 0 GHAALO CC(C)Oc1ccc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1 ZINC000022919772 570335783 /nfs/dbraw/zinc/33/57/83/570335783.db2.gz WPIRZRZDFZQBRO-QFIPXVFZSA-N 1 2 386.511 3.682 50 0 GHAALO S=c1sc2ccccc2n1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022941442 570339157 /nfs/dbraw/zinc/33/91/57/570339157.db2.gz ZTFLQUQQCONNHD-UHFFFAOYSA-N 1 2 399.541 3.936 50 0 GHAALO CCc1nn2c(nc(C[NH2+][C@@H](c3cccs3)c3ccccc3)cc2=O)s1 ZINC000023805150 570372909 /nfs/dbraw/zinc/37/29/09/570372909.db2.gz QODIPPFSARQSSW-GOSISDBHSA-N 1 2 382.514 3.654 50 0 GHAALO O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1CSC[N@@H+]1[C@H]2c1cccc(Cl)c1 ZINC000221543388 570396045 /nfs/dbraw/zinc/39/60/45/570396045.db2.gz KRCZASBHGOCUQV-XDNAFOTISA-N 1 2 384.888 3.575 50 0 GHAALO O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1CSC[N@H+]1[C@H]2c1cccc(Cl)c1 ZINC000221543388 570396049 /nfs/dbraw/zinc/39/60/49/570396049.db2.gz KRCZASBHGOCUQV-XDNAFOTISA-N 1 2 384.888 3.575 50 0 GHAALO COc1cccc([C@@H]2C[C@](C)([NH+]3CCCC3)Oc3cc4c(cc32)OCO4)c1O ZINC000025540832 570415665 /nfs/dbraw/zinc/41/56/65/570415665.db2.gz CRSJWEZUGYNWDK-KSFYIVLOSA-N 1 2 383.444 3.856 50 0 GHAALO CC(C)c1noc([C@@H](C)[N@H+](C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)n1 ZINC000027305518 570432987 /nfs/dbraw/zinc/43/29/87/570432987.db2.gz OZFUWMONLHUNGH-GFCCVEGCSA-N 1 2 384.402 3.678 50 0 GHAALO CC(C)c1noc([C@@H](C)[N@@H+](C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)n1 ZINC000027305518 570432988 /nfs/dbraw/zinc/43/29/88/570432988.db2.gz OZFUWMONLHUNGH-GFCCVEGCSA-N 1 2 384.402 3.678 50 0 GHAALO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(F)cc1Cl ZINC000044298262 570435023 /nfs/dbraw/zinc/43/50/23/570435023.db2.gz NHIJXLBLLOPHLV-HNNXBMFYSA-N 1 2 386.876 3.578 50 0 GHAALO C[N@H+](CC(=O)NC1CCCCCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000248036343 570436223 /nfs/dbraw/zinc/43/62/23/570436223.db2.gz UVRJFDMTCXVROZ-IEBWSBKVSA-N 1 2 385.335 3.722 50 0 GHAALO C[N@@H+](CC(=O)NC1CCCCCC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000248036343 570436225 /nfs/dbraw/zinc/43/62/25/570436225.db2.gz UVRJFDMTCXVROZ-IEBWSBKVSA-N 1 2 385.335 3.722 50 0 GHAALO O=C(CSc1ccc(CC[NH+]2CCOCC2)o1)Nc1ccc(F)c(Cl)c1 ZINC000027753206 570442116 /nfs/dbraw/zinc/44/21/16/570442116.db2.gz FXXWFKPBNNQBKR-UHFFFAOYSA-N 1 2 398.887 3.678 50 0 GHAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1c(F)cccc1Br)C2 ZINC000176646335 570451043 /nfs/dbraw/zinc/45/10/43/570451043.db2.gz UFADEOHJACFZHP-UHFFFAOYSA-N 1 2 380.261 3.644 50 0 GHAALO O[C@H]1CC[C@@H](Oc2cccc3cnc(Nc4ccc5[nH]c[nH+]c5c4)nc32)CC1 ZINC000606301493 570478878 /nfs/dbraw/zinc/47/88/78/570478878.db2.gz FYWRWBSYRGSWIQ-IYBDPMFKSA-N 1 2 375.432 3.932 50 0 GHAALO C[N@@H+]1CCN(C(=O)c2cc3c(nc4sccn34)s2)[C@H](c2ccccc2)C1 ZINC000030030429 570485481 /nfs/dbraw/zinc/48/54/81/570485481.db2.gz AANVWNVCRFSJLT-HNNXBMFYSA-N 1 2 382.514 3.739 50 0 GHAALO C[N@H+]1CCN(C(=O)c2cc3c(nc4sccn34)s2)[C@H](c2ccccc2)C1 ZINC000030030429 570485484 /nfs/dbraw/zinc/48/54/84/570485484.db2.gz AANVWNVCRFSJLT-HNNXBMFYSA-N 1 2 382.514 3.739 50 0 GHAALO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000030689069 570493906 /nfs/dbraw/zinc/49/39/06/570493906.db2.gz ZCGUEMYHOSXYOA-QFIPXVFZSA-N 1 2 386.455 3.834 50 0 GHAALO COc1cccc(N2CC[NH+](CC(=O)n3c(C)c(C)c4ccccc43)CC2)c1 ZINC000035851632 570558396 /nfs/dbraw/zinc/55/83/96/570558396.db2.gz HDHXDFHPOZTJJZ-UHFFFAOYSA-N 1 2 377.488 3.729 50 0 GHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000003332908 570605206 /nfs/dbraw/zinc/60/52/06/570605206.db2.gz QBZMHVZONDYRCM-UHFFFAOYSA-N 1 2 382.382 3.793 50 0 GHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000003332908 570605208 /nfs/dbraw/zinc/60/52/08/570605208.db2.gz QBZMHVZONDYRCM-UHFFFAOYSA-N 1 2 382.382 3.793 50 0 GHAALO CC(C)c1cc(C(=O)NCc2cccnc2-n2cc[nH+]c2)nn1-c1ccccc1 ZINC000154969475 570685361 /nfs/dbraw/zinc/68/53/61/570685361.db2.gz NHGPEMKLIUBTHS-UHFFFAOYSA-N 1 2 386.459 3.506 50 0 GHAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1 ZINC000055565663 570697142 /nfs/dbraw/zinc/69/71/42/570697142.db2.gz MZGNZMHWZIUVQL-UHFFFAOYSA-N 1 2 381.373 3.605 50 0 GHAALO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057291871 570701798 /nfs/dbraw/zinc/70/17/98/570701798.db2.gz RQXMZFKMCMLDBS-QAPCUYQASA-N 1 2 383.458 3.522 50 0 GHAALO CC[C@@]1(c2ccccc2)NC(=O)N(C[N@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000013098015 570746460 /nfs/dbraw/zinc/74/64/60/570746460.db2.gz FZCKJERWTPMAHW-QHCPKHFHSA-N 1 2 375.472 3.591 50 0 GHAALO CC[C@@]1(c2ccccc2)NC(=O)N(C[N@@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000013098015 570746463 /nfs/dbraw/zinc/74/64/63/570746463.db2.gz FZCKJERWTPMAHW-QHCPKHFHSA-N 1 2 375.472 3.591 50 0 GHAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000052537372 570752422 /nfs/dbraw/zinc/75/24/22/570752422.db2.gz UZJUBCVRHOYFBW-UHFFFAOYSA-N 1 2 382.266 3.893 50 0 GHAALO Cc1sc(-n2cnnn2)c(C(=O)Nc2ccc3[nH]c(C(C)C)[nH+]c3c2)c1C ZINC000524734214 570770219 /nfs/dbraw/zinc/77/02/19/570770219.db2.gz JELPUINCPVGOIZ-UHFFFAOYSA-N 1 2 381.465 3.593 50 0 GHAALO Cc1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cs2)o1 ZINC000096765398 570779553 /nfs/dbraw/zinc/77/95/53/570779553.db2.gz ZAZHOXRRYUPDJV-ZDUSSCGKSA-N 1 2 391.518 3.552 50 0 GHAALO Cc1ccc(-c2nc(C[N@H+](C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cs2)o1 ZINC000096765398 570779557 /nfs/dbraw/zinc/77/95/57/570779557.db2.gz ZAZHOXRRYUPDJV-ZDUSSCGKSA-N 1 2 391.518 3.552 50 0 GHAALO CC(C)CNC(=O)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000033106613 570811589 /nfs/dbraw/zinc/81/15/89/570811589.db2.gz LVFUFRWCBMNUBG-UHFFFAOYSA-N 1 2 391.519 3.572 50 0 GHAALO COc1ccccc1[C@@H](NC(=O)N[C@@H](C)CCc1ccccc1)c1[nH+]ccn1C ZINC000032802554 570821226 /nfs/dbraw/zinc/82/12/26/570821226.db2.gz SVCGDQONSZZHDR-LAUBAEHRSA-N 1 2 392.503 3.839 50 0 GHAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cn2nc3n(c2=S)CCCCC3)c1 ZINC000014197106 570828565 /nfs/dbraw/zinc/82/85/65/570828565.db2.gz LULCZWQTVCNMJH-QGZVFWFLSA-N 1 2 388.537 3.952 50 0 GHAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cn2nc3n(c2=S)CCCCC3)c1 ZINC000014197106 570828568 /nfs/dbraw/zinc/82/85/68/570828568.db2.gz LULCZWQTVCNMJH-QGZVFWFLSA-N 1 2 388.537 3.952 50 0 GHAALO C[C@H]1CCc2[nH]c3c(cccc3C(=O)N3CC[NH+](Cc4ccccn4)CC3)c2C1 ZINC000032823777 570838037 /nfs/dbraw/zinc/83/80/37/570838037.db2.gz VNRZKEGYABZJGG-KRWDZBQOSA-N 1 2 388.515 3.646 50 0 GHAALO Cc1[nH+]c2ccccc2n1CCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000012547752 570849328 /nfs/dbraw/zinc/84/93/28/570849328.db2.gz UAYAXOQFRVZWMB-UHFFFAOYSA-N 1 2 380.492 3.529 50 0 GHAALO Clc1nc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cc2ccccc21 ZINC000170607364 570864453 /nfs/dbraw/zinc/86/44/53/570864453.db2.gz LRZYHQIGWMAGFW-UHFFFAOYSA-N 1 2 391.906 3.854 50 0 GHAALO O=C(N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1scc2c1OCCO2 ZINC000015079704 570879602 /nfs/dbraw/zinc/87/96/02/570879602.db2.gz YQZVHGDQGBODIP-HNNXBMFYSA-N 1 2 392.908 3.567 50 0 GHAALO O=C(N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1scc2c1OCCO2 ZINC000015079704 570879606 /nfs/dbraw/zinc/87/96/06/570879606.db2.gz YQZVHGDQGBODIP-HNNXBMFYSA-N 1 2 392.908 3.567 50 0 GHAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)Nc1cccc(Br)c1 ZINC000013324859 570895019 /nfs/dbraw/zinc/89/50/19/570895019.db2.gz DNVGMPCPLZGIES-UHFFFAOYSA-N 1 2 390.281 3.925 50 0 GHAALO CCCc1ccc([C@@H](C)NC(=O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000013323402 570895154 /nfs/dbraw/zinc/89/51/54/570895154.db2.gz BDLDINKKPGJCCR-GOSISDBHSA-N 1 2 383.511 3.778 50 0 GHAALO CCCc1ccc([C@H](C)NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000013323392 570895268 /nfs/dbraw/zinc/89/52/68/570895268.db2.gz RUWRLNQSZWVOBH-SFHVURJKSA-N 1 2 383.511 3.778 50 0 GHAALO O=C(Cc1ccc(F)cc1)NC[C@@H](c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000023106418 570905321 /nfs/dbraw/zinc/90/53/21/570905321.db2.gz WHGPEQPNPHPTJB-QHCPKHFHSA-N 1 2 392.474 3.711 50 0 GHAALO COc1ccc([C@H](C)[NH2+]Cc2nc3ccccc3c(=O)[nH]2)cc1Br ZINC000016694991 570931220 /nfs/dbraw/zinc/93/12/20/570931220.db2.gz VYWAWXOKSVFEKC-NSHDSACASA-N 1 2 388.265 3.545 50 0 GHAALO Cn1nccc1C[NH2+]Cc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC000585138603 570951039 /nfs/dbraw/zinc/95/10/39/570951039.db2.gz MAIQVUBSTXNFNB-UHFFFAOYSA-N 1 2 399.283 3.741 50 0 GHAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000107175026 570972039 /nfs/dbraw/zinc/97/20/39/570972039.db2.gz VZDDYUWVNMROSI-CGYQNGNCSA-N 1 2 390.414 3.794 50 0 GHAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000107175026 570972043 /nfs/dbraw/zinc/97/20/43/570972043.db2.gz VZDDYUWVNMROSI-CGYQNGNCSA-N 1 2 390.414 3.794 50 0 GHAALO O=C(NCc1ccc(F)cc1)c1ccc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)s1 ZINC000019336016 570975952 /nfs/dbraw/zinc/97/59/52/570975952.db2.gz CLNXVELRCQJBRS-INIZCTEOSA-N 1 2 384.480 3.877 50 0 GHAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1nn(-c2ccccc2)c2c1CCCCC2 ZINC000107853900 570976830 /nfs/dbraw/zinc/97/68/30/570976830.db2.gz NWVOXNJOFHKVHQ-UHFFFAOYSA-N 1 2 398.470 3.974 50 0 GHAALO COc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c(OC)c1OC ZINC000019552833 571002072 /nfs/dbraw/zinc/00/20/72/571002072.db2.gz LDAHTJCIQLCMBK-UHFFFAOYSA-N 1 2 390.911 3.684 50 0 GHAALO COc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c(OC)c1OC ZINC000019552833 571002074 /nfs/dbraw/zinc/00/20/74/571002074.db2.gz LDAHTJCIQLCMBK-UHFFFAOYSA-N 1 2 390.911 3.684 50 0 GHAALO Cc1ccccc1-c1ncc(C[N@H+]2CC[C@H]([NH+](C)C)[C@H](CCC(=O)[O-])C2)s1 ZINC000091713472 571027561 /nfs/dbraw/zinc/02/75/61/571027561.db2.gz IWUFGBVVOQDFBC-APWZRJJASA-N 1 2 387.549 3.735 50 0 GHAALO Cc1ccccc1-c1ncc(C[N@@H+]2CC[C@H]([NH+](C)C)[C@H](CCC(=O)[O-])C2)s1 ZINC000091713472 571027564 /nfs/dbraw/zinc/02/75/64/571027564.db2.gz IWUFGBVVOQDFBC-APWZRJJASA-N 1 2 387.549 3.735 50 0 GHAALO CN(C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1)c1ccccc1 ZINC000091736687 571028463 /nfs/dbraw/zinc/02/84/63/571028463.db2.gz RDMBPVOBGSOGTC-UHFFFAOYSA-N 1 2 375.476 3.762 50 0 GHAALO Cc1n[nH]c(CCC(=O)N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)c1C ZINC000095511514 571082603 /nfs/dbraw/zinc/08/26/03/571082603.db2.gz XUBICKYCYGQDTP-UHFFFAOYSA-N 1 2 391.519 3.610 50 0 GHAALO CC(C)c1nc2cc(C(=O)N3CC[NH+](CCOc4ccccc4)CC3)ccc2o1 ZINC000095520982 571087168 /nfs/dbraw/zinc/08/71/68/571087168.db2.gz NOJTXVXINODZIS-UHFFFAOYSA-N 1 2 393.487 3.788 50 0 GHAALO CC(C)(C)CC(=O)NC[C@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000056945608 861846446 /nfs/dbraw/zinc/84/64/46/861846446.db2.gz DJMDMZINMOGOLQ-LJQANCHMSA-N 1 2 387.499 3.834 50 0 GHAALO O=C1NCCCN1C1CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000093669470 860328530 /nfs/dbraw/zinc/32/85/30/860328530.db2.gz BNEBOIFIFVCDMF-UHFFFAOYSA-N 1 2 375.822 3.739 50 0 GHAALO COc1ccc2ccccc2c1[S@@](=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020404983 860564505 /nfs/dbraw/zinc/56/45/05/860564505.db2.gz XIFLCEQGIKETEC-MHZLTWQESA-N 1 2 380.513 3.689 50 0 GHAALO C[C@@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000022460017 861125919 /nfs/dbraw/zinc/12/59/19/861125919.db2.gz CBSHKRGBEYFKGH-RDTXWAMCSA-N 1 2 377.941 3.509 50 0 GHAALO CCN1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)Nc2cccc(C)c2)CC1 ZINC000022460682 861128083 /nfs/dbraw/zinc/12/80/83/861128083.db2.gz OVDQDHUTZFOXFF-PXNSSMCTSA-N 1 2 386.565 3.945 50 0 GHAALO C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000022460616 861128189 /nfs/dbraw/zinc/12/81/89/861128189.db2.gz HFZBCRBVOKBVCC-KBXCAEBGSA-N 1 2 392.956 3.900 50 0 GHAALO COc1ccc(C(=O)N2CCC[C@@H](n3c(C)c[nH+]c3-c3ccncc3)C2)cc1F ZINC000581806830 870036388 /nfs/dbraw/zinc/03/63/88/870036388.db2.gz ALQLXKGVRZWTQP-GOSISDBHSA-N 1 2 394.450 3.879 50 0 GHAALO Cc1c[nH+]c([C@H]2CCN(C(=O)NCCc3ccccc3)C2)n1Cc1ccccc1 ZINC000581815956 870044222 /nfs/dbraw/zinc/04/42/22/870044222.db2.gz KZYZCTHVDFEVSD-QFIPXVFZSA-N 1 2 388.515 3.981 50 0 GHAALO C[C@@H](NC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1Cl ZINC000096781172 871760104 /nfs/dbraw/zinc/76/01/04/871760104.db2.gz FAYNQOAUZGAOAU-JNLAIUADSA-N 1 2 397.950 3.848 50 0 GHAALO Cc1ccc(Cl)c(OC[C@H](O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c1 ZINC000193004699 904350995 /nfs/dbraw/zinc/35/09/95/904350995.db2.gz ZBKFQPMPAGFMLN-LLVKDONJSA-N 1 2 385.773 3.852 50 0 GHAALO Cc1ccc(N[C@@H]2CCCN(C(=O)C[N@@H+]3CCOc4ccccc4C3)C2)cc1C ZINC000015064105 919357285 /nfs/dbraw/zinc/35/72/85/919357285.db2.gz OZPGUTLPLSIWRQ-JOCHJYFZSA-N 1 2 393.531 3.601 50 0 GHAALO Cc1ccc(N[C@@H]2CCCN(C(=O)C[N@H+]3CCOc4ccccc4C3)C2)cc1C ZINC000015064105 919357302 /nfs/dbraw/zinc/35/73/02/919357302.db2.gz OZPGUTLPLSIWRQ-JOCHJYFZSA-N 1 2 393.531 3.601 50 0 GHAALO O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000655408095 930486849 /nfs/dbraw/zinc/48/68/49/930486849.db2.gz OOTCZCNLWRCMLJ-CQSZACIVSA-N 1 2 393.409 3.582 50 0 GHAALO S=c1n(C[NH+]2CCCC2)nc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000003362761 204001256 /nfs/dbraw/zinc/00/12/56/204001256.db2.gz AGMYGVCNMJLIPV-IBGZPJMESA-N 1 2 394.500 3.969 50 0 GHAALO CC[C@H](Cc1ccccc1)NC(=O)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000004955267 204096036 /nfs/dbraw/zinc/09/60/36/204096036.db2.gz DZVJAAPHUZBACQ-LJQANCHMSA-N 1 2 376.504 3.917 50 0 GHAALO Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000006831507 204214108 /nfs/dbraw/zinc/21/41/08/204214108.db2.gz QKOJDIYRPLDLHB-UHFFFAOYSA-N 1 2 388.519 3.961 50 0 GHAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccnn1C1CCCC1 ZINC000008724397 204286116 /nfs/dbraw/zinc/28/61/16/204286116.db2.gz MUUBARWYZGBVFZ-GOSISDBHSA-N 1 2 396.491 3.545 50 0 GHAALO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccnn1C1CCCC1 ZINC000008724397 204286120 /nfs/dbraw/zinc/28/61/20/204286120.db2.gz MUUBARWYZGBVFZ-GOSISDBHSA-N 1 2 396.491 3.545 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1cccc(F)c1 ZINC000009154121 204301429 /nfs/dbraw/zinc/30/14/29/204301429.db2.gz VMWQYISSKFFVKC-SFHVURJKSA-N 1 2 375.806 3.800 50 0 GHAALO O=C(C[N@@H+](Cc1ccccc1F)C1CC1)Nc1ccccc1N1CCCC1=O ZINC000009388876 204309416 /nfs/dbraw/zinc/30/94/16/204309416.db2.gz GYMSUDZZKWLUAQ-UHFFFAOYSA-N 1 2 381.451 3.556 50 0 GHAALO O=C(C[N@H+](Cc1ccccc1F)C1CC1)Nc1ccccc1N1CCCC1=O ZINC000009388876 204309419 /nfs/dbraw/zinc/30/94/19/204309419.db2.gz GYMSUDZZKWLUAQ-UHFFFAOYSA-N 1 2 381.451 3.556 50 0 GHAALO c1ccc(Cn2c(CN3CC[NH+](Cc4cccnc4)CC3)nc3ccccc32)cc1 ZINC000036708003 204324220 /nfs/dbraw/zinc/32/42/20/204324220.db2.gz BIUFRADRJXFTCT-UHFFFAOYSA-N 1 2 397.526 3.797 50 0 GHAALO COc1ccc([C@@H](NC(=O)Cc2c(F)cccc2Cl)c2[nH+]ccn2C)cc1 ZINC000009154142 204300762 /nfs/dbraw/zinc/30/07/62/204300762.db2.gz BVKWJXYQKCEXKS-LJQANCHMSA-N 1 2 387.842 3.670 50 0 GHAALO CC(C)(C)c1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1 ZINC000011525844 204346754 /nfs/dbraw/zinc/34/67/54/204346754.db2.gz SOQHSZZYPJRWSX-UHFFFAOYSA-N 1 2 393.531 3.817 50 0 GHAALO CC(C)c1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)n[nH]1 ZINC000011934728 204362252 /nfs/dbraw/zinc/36/22/52/204362252.db2.gz LKMPTIHTBMZUOB-QFIPXVFZSA-N 1 2 384.499 3.801 50 0 GHAALO CC(C)c1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)n[nH]1 ZINC000011934728 204362256 /nfs/dbraw/zinc/36/22/56/204362256.db2.gz LKMPTIHTBMZUOB-QFIPXVFZSA-N 1 2 384.499 3.801 50 0 GHAALO O=C(NCc1c[nH+]c2ccccn12)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000011936132 204364899 /nfs/dbraw/zinc/36/48/99/204364899.db2.gz YDHNEEIWHVORFN-UHFFFAOYSA-N 1 2 382.423 3.996 50 0 GHAALO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2c[nH]cn2)CC1 ZINC000012306407 204392884 /nfs/dbraw/zinc/39/28/84/204392884.db2.gz YXZFFTCLCMPRFB-UHFFFAOYSA-N 1 2 395.425 3.817 50 0 GHAALO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2cnc[nH]2)CC1 ZINC000012306407 204392888 /nfs/dbraw/zinc/39/28/88/204392888.db2.gz YXZFFTCLCMPRFB-UHFFFAOYSA-N 1 2 395.425 3.817 50 0 GHAALO O=C(NCc1ccccc1)c1cccc(OC2CC[NH+](Cc3ccon3)CC2)c1 ZINC000012592917 204429109 /nfs/dbraw/zinc/42/91/09/204429109.db2.gz OVZNWXXAGZCXAK-UHFFFAOYSA-N 1 2 391.471 3.648 50 0 GHAALO COc1cc(C[N@H+](C)Cn2c(=O)oc3cc(Cl)ccc32)ccc1OC(F)F ZINC000012852763 204457315 /nfs/dbraw/zinc/45/73/15/204457315.db2.gz JHYSEHQLRBQESM-UHFFFAOYSA-N 1 2 398.793 3.947 50 0 GHAALO COc1cc(C[N@@H+](C)Cn2c(=O)oc3cc(Cl)ccc32)ccc1OC(F)F ZINC000012852763 204457318 /nfs/dbraw/zinc/45/73/18/204457318.db2.gz JHYSEHQLRBQESM-UHFFFAOYSA-N 1 2 398.793 3.947 50 0 GHAALO CC(C)NC(=O)CN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022025357 204773512 /nfs/dbraw/zinc/77/35/12/204773512.db2.gz ZYZBCTLTZUWIPQ-QFIPXVFZSA-N 1 2 385.939 3.572 50 0 GHAALO CC(C)NC(=O)C[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022025357 204773515 /nfs/dbraw/zinc/77/35/15/204773515.db2.gz ZYZBCTLTZUWIPQ-QFIPXVFZSA-N 1 2 385.939 3.572 50 0 GHAALO CSc1ccc([C@@H](CNC(=O)c2ccn[nH]2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000040142348 205057169 /nfs/dbraw/zinc/05/71/69/205057169.db2.gz NWVPQHBEQWTZMX-GOSISDBHSA-N 1 2 398.557 3.723 50 0 GHAALO CSc1ccc([C@@H](CNC(=O)c2ccn[nH]2)[N@H+]2CCc3sccc3C2)cc1 ZINC000040142348 205057174 /nfs/dbraw/zinc/05/71/74/205057174.db2.gz NWVPQHBEQWTZMX-GOSISDBHSA-N 1 2 398.557 3.723 50 0 GHAALO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)[C@@H]1C ZINC000047797240 205110581 /nfs/dbraw/zinc/11/05/81/205110581.db2.gz BUSAWCAGVPGSTE-STXHMFSFSA-N 1 2 392.490 3.800 50 0 GHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)Nc1ccccc1-n1cccn1 ZINC000048309561 205118510 /nfs/dbraw/zinc/11/85/10/205118510.db2.gz KKLXGVBDBHJPEZ-UHFFFAOYSA-N 1 2 390.491 3.969 50 0 GHAALO Fc1ccc(-n2cc(-c3ccnc(NCc4c[nH+]c5ccccn45)n3)cn2)cc1 ZINC000048397963 205122602 /nfs/dbraw/zinc/12/26/02/205122602.db2.gz ZLAKUYGZXLWZGI-UHFFFAOYSA-N 1 2 385.406 3.728 50 0 GHAALO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2F)C1 ZINC000055054162 205142053 /nfs/dbraw/zinc/14/20/53/205142053.db2.gz YPPAMAVEISADNX-CYBMUJFWSA-N 1 2 377.362 3.928 50 0 GHAALO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](Cc2c(F)ccc(F)c2F)C1 ZINC000055054162 205142057 /nfs/dbraw/zinc/14/20/57/205142057.db2.gz YPPAMAVEISADNX-CYBMUJFWSA-N 1 2 377.362 3.928 50 0 GHAALO CCOC(=O)c1cn([C@H](CC)Cn2cc[nH+]c2)cc(Oc2ccccc2)c1=O ZINC000055283662 205146830 /nfs/dbraw/zinc/14/68/30/205146830.db2.gz FFOKMEIJWMCARK-MRXNPFEDSA-N 1 2 381.432 3.665 50 0 GHAALO COc1ccc(C[N@H+](Cc2nc(N)nc(Nc3ccccc3C)n2)C2CC2)cc1 ZINC000057270848 205154574 /nfs/dbraw/zinc/15/45/74/205154574.db2.gz KSENPOHWILLINC-UHFFFAOYSA-N 1 2 390.491 3.679 50 0 GHAALO COc1ccc(C[N@@H+](Cc2nc(N)nc(Nc3ccccc3C)n2)C2CC2)cc1 ZINC000057270848 205154578 /nfs/dbraw/zinc/15/45/78/205154578.db2.gz KSENPOHWILLINC-UHFFFAOYSA-N 1 2 390.491 3.679 50 0 GHAALO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000057993188 205160916 /nfs/dbraw/zinc/16/09/16/205160916.db2.gz UUJPVYXQSMVQTK-INIZCTEOSA-N 1 2 381.904 3.658 50 0 GHAALO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000057993188 205160918 /nfs/dbraw/zinc/16/09/18/205160918.db2.gz UUJPVYXQSMVQTK-INIZCTEOSA-N 1 2 381.904 3.658 50 0 GHAALO O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058198505 205169306 /nfs/dbraw/zinc/16/93/06/205169306.db2.gz QHMKCUOZRIDYEZ-UHFFFAOYSA-N 1 2 379.420 3.706 50 0 GHAALO O=C(C[N@H+]1CCCC[C@@H]1c1nc(-c2ccc(F)cc2)no1)NC1CCCCC1 ZINC000065250080 205222330 /nfs/dbraw/zinc/22/23/30/205222330.db2.gz UPOINHONTZNSME-GOSISDBHSA-N 1 2 386.471 3.852 50 0 GHAALO O=C(C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccc(F)cc2)no1)NC1CCCCC1 ZINC000065250080 205222336 /nfs/dbraw/zinc/22/23/36/205222336.db2.gz UPOINHONTZNSME-GOSISDBHSA-N 1 2 386.471 3.852 50 0 GHAALO O=C(c1ccncc1)N1CCC[C@@]2(C1)Nc1ccccc1NC2=[NH+]C1CCCC1 ZINC000065259957 205225157 /nfs/dbraw/zinc/22/51/57/205225157.db2.gz BQZJYQOHBSLHDL-QHCPKHFHSA-N 1 2 389.503 3.744 50 0 biogenic GHAALO CCNc1cc(N2CCC(CCC(=O)Nc3ccc(OC)cc3C)CC2)nc[nH+]1 ZINC000065274058 205226683 /nfs/dbraw/zinc/22/66/83/205226683.db2.gz CFLOPXZIWRLPMO-UHFFFAOYSA-N 1 2 397.523 3.861 50 0 GHAALO CCNc1cc(N2CCC(CCC(=O)Nc3ccc(OC)cc3C)CC2)[nH+]cn1 ZINC000065274058 205226688 /nfs/dbraw/zinc/22/66/88/205226688.db2.gz CFLOPXZIWRLPMO-UHFFFAOYSA-N 1 2 397.523 3.861 50 0 GHAALO O=C(c1c[nH+]c2ccc(Cl)cc2c1NCc1ccccc1)N1CCOCC1 ZINC000067288315 205244549 /nfs/dbraw/zinc/24/45/49/205244549.db2.gz QZQFUNNOFVSWNL-UHFFFAOYSA-N 1 2 381.863 3.973 50 0 GHAALO Oc1cc(-c2cccnc2)cc2c1OCC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000067789732 205260241 /nfs/dbraw/zinc/26/02/41/205260241.db2.gz DKWTWZSMEHPQGT-UHFFFAOYSA-N 1 2 376.412 3.578 50 0 GHAALO Oc1cc(-c2cccnc2)cc2c1OCC[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000067789732 205260243 /nfs/dbraw/zinc/26/02/43/205260243.db2.gz DKWTWZSMEHPQGT-UHFFFAOYSA-N 1 2 376.412 3.578 50 0 GHAALO Cc1[nH+]c[nH]c1CSCCn1cnc(-c2ccccc2)c1-c1cnn(C)c1 ZINC000067909711 205269014 /nfs/dbraw/zinc/26/90/14/205269014.db2.gz CGIZMEPVMBMHFI-UHFFFAOYSA-N 1 2 378.505 3.916 50 0 GHAALO O=C1CCCN1CC[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067975035 205270920 /nfs/dbraw/zinc/27/09/20/205270920.db2.gz FNEKQLZBNRKVBA-UHFFFAOYSA-N 1 2 386.879 3.529 50 0 GHAALO O=C1CCCN1CC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067975035 205270925 /nfs/dbraw/zinc/27/09/25/205270925.db2.gz FNEKQLZBNRKVBA-UHFFFAOYSA-N 1 2 386.879 3.529 50 0 GHAALO Cc1nc(-n2cccn2)cc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)[nH+]1 ZINC000071754690 205292043 /nfs/dbraw/zinc/29/20/43/205292043.db2.gz BWWOGYCQXKLTIQ-MRXNPFEDSA-N 1 2 390.274 3.855 50 0 GHAALO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000072462520 205352364 /nfs/dbraw/zinc/35/23/64/205352364.db2.gz AFRRJKZSKKNVCW-INIZCTEOSA-N 1 2 375.472 3.539 50 0 GHAALO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCNC(=O)[C@@H]2C)cc1 ZINC000072462520 205352367 /nfs/dbraw/zinc/35/23/67/205352367.db2.gz AFRRJKZSKKNVCW-INIZCTEOSA-N 1 2 375.472 3.539 50 0 GHAALO Cc1cc(C(=O)N2CC[NH+](Cc3ncccc3C)CC2)c(-c2ccccc2)o1 ZINC000072420264 205347298 /nfs/dbraw/zinc/34/72/98/205347298.db2.gz BQLKSAQLEYZXRD-UHFFFAOYSA-N 1 2 375.472 3.916 50 0 GHAALO CC[C@H]1C(=O)NCC[N@H+]1Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000072409896 205347904 /nfs/dbraw/zinc/34/79/04/205347904.db2.gz HBJNRROKVFTXQU-NRFANRHFSA-N 1 2 388.515 3.867 50 0 GHAALO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000072409896 205347908 /nfs/dbraw/zinc/34/79/08/205347908.db2.gz HBJNRROKVFTXQU-NRFANRHFSA-N 1 2 388.515 3.867 50 0 GHAALO O=C1[C@@H]([N@H+](Cc2c(F)cccc2F)C2CCCC2)CCN1CC(F)(F)F ZINC000078922646 205377888 /nfs/dbraw/zinc/37/78/88/205377888.db2.gz ZWYRMURMMKICCK-INIZCTEOSA-N 1 2 376.369 3.873 50 0 GHAALO O=C1[C@@H]([N@@H+](Cc2c(F)cccc2F)C2CCCC2)CCN1CC(F)(F)F ZINC000078922646 205377892 /nfs/dbraw/zinc/37/78/92/205377892.db2.gz ZWYRMURMMKICCK-INIZCTEOSA-N 1 2 376.369 3.873 50 0 GHAALO COc1cc(CC2CN(c3cc(C)[nH+]c(-c4ccncc4)n3)C2)cc(OC)c1 ZINC000079064126 205380484 /nfs/dbraw/zinc/38/04/84/205380484.db2.gz RSGWQLTXJOPXTP-UHFFFAOYSA-N 1 2 376.460 3.543 50 0 GHAALO O=C(Nc1ccc2c(c1)OCCO2)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000079075881 205381185 /nfs/dbraw/zinc/38/11/85/205381185.db2.gz PMTKDRWOXIKQPA-NQIIRXRSSA-N 1 2 390.443 3.705 50 0 GHAALO FC(F)(F)c1ccc2oc(CN3CC[NH+](Cc4ccccn4)CC3)nc2c1 ZINC000084610039 205396250 /nfs/dbraw/zinc/39/62/50/205396250.db2.gz SBALTKCGRQQTNH-UHFFFAOYSA-N 1 2 376.382 3.559 50 0 GHAALO COc1cc(C[N@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc(OC)c1OC ZINC000225421638 206046876 /nfs/dbraw/zinc/04/68/76/206046876.db2.gz IRPWAHSXWZUUBP-GASCZTMLSA-N 1 2 394.512 3.542 50 0 GHAALO COc1cc(C[N@@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc(OC)c1OC ZINC000225421638 206046879 /nfs/dbraw/zinc/04/68/79/206046879.db2.gz IRPWAHSXWZUUBP-GASCZTMLSA-N 1 2 394.512 3.542 50 0 GHAALO O=C(CCN1CC[NH+](C/C=C\c2ccccc2)CC1)Nc1ccccc1Cl ZINC000033316951 206098742 /nfs/dbraw/zinc/09/87/42/206098742.db2.gz LYKLYIQPLLVGDC-TWGQIWQCSA-N 1 2 383.923 4.000 50 0 GHAALO OCCN1CC[NH+]([C@@H]2Cc3ccc(F)cc3Sc3ccc(Cl)cc32)CC1 ZINC000096257162 206120389 /nfs/dbraw/zinc/12/03/89/206120389.db2.gz HFVFYDNXVLFKQV-GOSISDBHSA-N 1 2 392.927 3.837 50 0 GHAALO CCc1[nH+]c2cc(N)cc(C(=O)N(C)Cc3ccc(C)cc3)c2n1CCCOC ZINC000299757960 206184250 /nfs/dbraw/zinc/18/42/50/206184250.db2.gz IZEZYPJJWZKEDH-UHFFFAOYSA-N 1 2 394.519 3.798 50 0 GHAALO O=C(CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)NCc1ccc(F)cc1 ZINC000065245201 136161601 /nfs/dbraw/zinc/16/16/01/136161601.db2.gz STXACGCSCZWFDL-QGZVFWFLSA-N 1 2 397.498 3.503 50 0 GHAALO O=C(CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)NCc1ccc(F)cc1 ZINC000065245201 136161602 /nfs/dbraw/zinc/16/16/02/136161602.db2.gz STXACGCSCZWFDL-QGZVFWFLSA-N 1 2 397.498 3.503 50 0 GHAALO CC(=O)c1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000065479449 136164075 /nfs/dbraw/zinc/16/40/75/136164075.db2.gz YZWUAHBDQGMJON-HXUWFJFHSA-N 1 2 392.421 3.764 50 0 GHAALO Cc1nc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C2CC2)C3)cc[nH+]1 ZINC000091390887 136176179 /nfs/dbraw/zinc/17/61/79/136176179.db2.gz NBAQAYXCDGHSHW-HXUWFJFHSA-N 1 2 376.504 3.550 50 0 GHAALO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(-c2ccc(F)cc2)n1C ZINC000155201251 136195827 /nfs/dbraw/zinc/19/58/27/136195827.db2.gz ISQQGAAQJYAPJH-UHFFFAOYSA-N 1 2 394.450 3.624 50 0 GHAALO Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000019789510 570218863 /nfs/dbraw/zinc/21/88/63/570218863.db2.gz AMUJBNHFABDFFC-UHFFFAOYSA-N 1 2 392.421 3.737 50 0 GHAALO c1nn(-c2ccccc2)c2nc[nH+]c(N3CCC[C@H]3c3ccc4c(c3)OCCO4)c12 ZINC000012808027 570222254 /nfs/dbraw/zinc/22/22/54/570222254.db2.gz NPIDPEVBRBFDOZ-IBGZPJMESA-N 1 2 399.454 3.928 50 0 GHAALO CCOc1ccc(/C=C2/SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1OC ZINC000019831012 570223186 /nfs/dbraw/zinc/22/31/86/570223186.db2.gz AMILTJLJPUOMFW-SFQUDFHCSA-N 1 2 376.478 3.574 50 0 GHAALO CCc1ccc2oc(=O)cc(CN3CC[NH+](Cc4cccc(F)c4)CC3)c2c1 ZINC000020213240 570248658 /nfs/dbraw/zinc/24/86/58/570248658.db2.gz RUYGQSZEKPVBKZ-UHFFFAOYSA-N 1 2 380.463 3.812 50 0 GHAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4cccc(F)c4)CC3)c2c1 ZINC000020213240 570248659 /nfs/dbraw/zinc/24/86/59/570248659.db2.gz RUYGQSZEKPVBKZ-UHFFFAOYSA-N 1 2 380.463 3.812 50 0 GHAALO c1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4nc5c(s4)CCCC5)C3)CC2)cc1 ZINC000020455193 570258782 /nfs/dbraw/zinc/25/87/82/570258782.db2.gz PPZRIXJCXZINOZ-HXUWFJFHSA-N 1 2 396.604 3.809 50 0 GHAALO c1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4nc5c(s4)CCCC5)C3)CC2)cc1 ZINC000020455193 570258784 /nfs/dbraw/zinc/25/87/84/570258784.db2.gz PPZRIXJCXZINOZ-HXUWFJFHSA-N 1 2 396.604 3.809 50 0 GHAALO O=C(c1cc2cc(Cl)ccc2[nH]1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020565870 570267904 /nfs/dbraw/zinc/26/79/04/570267904.db2.gz MXARTVYFGSNLQF-UHFFFAOYSA-N 1 2 397.862 3.508 50 0 GHAALO Cc1cc(Cl)ccc1N1C(=O)C=C([NH2+]Nc2nc3ccccc3s2)C1O ZINC000100875955 570278955 /nfs/dbraw/zinc/27/89/55/570278955.db2.gz PLAYBMWYNWAIPR-CYBMUJFWSA-N 1 2 386.864 3.507 50 0 GHAALO Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000012899184 570287022 /nfs/dbraw/zinc/28/70/22/570287022.db2.gz QSJJWBLUZVQWFE-UHFFFAOYSA-N 1 2 393.940 3.613 50 0 GHAALO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCN(c2nccs2)CC1 ZINC000021335564 570290440 /nfs/dbraw/zinc/29/04/40/570290440.db2.gz OKJQBGHSLKEVHA-LBPRGKRZSA-N 1 2 375.885 3.730 50 0 GHAALO Cc1ccc(C[N@@H+]2CCO[C@H](CN(CC(C)C)C(=O)c3ccccc3)C2)cc1 ZINC000034670681 570293403 /nfs/dbraw/zinc/29/34/03/570293403.db2.gz AGRAPYGEWHZEBE-QHCPKHFHSA-N 1 2 380.532 3.994 50 0 GHAALO Cc1ccc(C[N@H+]2CCO[C@H](CN(CC(C)C)C(=O)c3ccccc3)C2)cc1 ZINC000034670681 570293406 /nfs/dbraw/zinc/29/34/06/570293406.db2.gz AGRAPYGEWHZEBE-QHCPKHFHSA-N 1 2 380.532 3.994 50 0 GHAALO C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022584564 570322231 /nfs/dbraw/zinc/32/22/31/570322231.db2.gz LDVMRSNXMJHWJZ-LMXQCQDWSA-N 1 2 395.591 3.696 50 0 GHAALO FC(F)(F)c1cccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000023256054 570352879 /nfs/dbraw/zinc/35/28/79/570352879.db2.gz VMZWCXCYGWLQFH-UHFFFAOYSA-N 1 2 378.394 3.752 50 0 GHAALO FC(F)(F)c1cccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000023256054 570352880 /nfs/dbraw/zinc/35/28/80/570352880.db2.gz VMZWCXCYGWLQFH-UHFFFAOYSA-N 1 2 378.394 3.752 50 0 GHAALO COc1cccc([C@@H](NC(=O)c2ccc3ncsc3c2)c2[nH+]ccn2C)c1 ZINC000024017571 570376983 /nfs/dbraw/zinc/37/69/83/570376983.db2.gz VBKUZDFKAOYRGQ-GOSISDBHSA-N 1 2 378.457 3.558 50 0 GHAALO Cc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)[NH+]=C3N=CNN32)s1 ZINC000220976652 570391036 /nfs/dbraw/zinc/39/10/36/570391036.db2.gz OWQXNXDENQNBEB-SFHVURJKSA-N 1 2 379.489 3.845 50 0 GHAALO O=C(Nc1nc(-c2ccccc2)c(C[NH+]2CCOCC2)s1)c1ccccc1 ZINC000020714319 570465264 /nfs/dbraw/zinc/46/52/64/570465264.db2.gz YHZQJWILRJMTFX-UHFFFAOYSA-N 1 2 379.485 3.895 50 0 GHAALO C[N@H+](Cc1ccccc1OCC(F)(F)F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000072305159 570516953 /nfs/dbraw/zinc/51/69/53/570516953.db2.gz VHXOLEHRDNVVCU-QGZVFWFLSA-N 1 2 378.394 3.865 50 0 GHAALO C[N@@H+](Cc1ccccc1OCC(F)(F)F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000072305159 570516955 /nfs/dbraw/zinc/51/69/55/570516955.db2.gz VHXOLEHRDNVVCU-QGZVFWFLSA-N 1 2 378.394 3.865 50 0 GHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2CCCCC2)c(C)c1 ZINC000004341730 570676636 /nfs/dbraw/zinc/67/66/36/570676636.db2.gz WBSZEBYIOOHNEA-UHFFFAOYSA-N 1 2 381.505 3.537 50 0 GHAALO COc1ccc(C[N@H+](C)Cc2nc(Cc3ccccc3Cl)no2)cc1OC ZINC000012575977 570682403 /nfs/dbraw/zinc/68/24/03/570682403.db2.gz LHNMOZFDIZCUOY-UHFFFAOYSA-N 1 2 387.867 3.963 50 0 GHAALO COc1ccc(C[N@@H+](C)Cc2nc(Cc3ccccc3Cl)no2)cc1OC ZINC000012575977 570682406 /nfs/dbraw/zinc/68/24/06/570682406.db2.gz LHNMOZFDIZCUOY-UHFFFAOYSA-N 1 2 387.867 3.963 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(Br)c1)c1ccccc1F ZINC000012629425 570692448 /nfs/dbraw/zinc/69/24/48/570692448.db2.gz MQBJXMSKEUNHOR-INIZCTEOSA-N 1 2 388.240 3.841 50 0 GHAALO O=C(NCc1ccncc1)c1ccc(-c2ccc(N3CCSCC3)[nH+]c2)cc1 ZINC000065178304 570723880 /nfs/dbraw/zinc/72/38/80/570723880.db2.gz VWNCYOWDGBRSBP-UHFFFAOYSA-N 1 2 390.512 3.627 50 0 GHAALO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000032675532 570729057 /nfs/dbraw/zinc/72/90/57/570729057.db2.gz WIBGBWOVVAQYLK-UHFFFAOYSA-N 1 2 396.520 3.586 50 0 GHAALO CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000032675532 570729062 /nfs/dbraw/zinc/72/90/62/570729062.db2.gz WIBGBWOVVAQYLK-UHFFFAOYSA-N 1 2 396.520 3.586 50 0 GHAALO O=C(c1ccco1)N1CCC[C@]2(C1)Nc1ccccc1NC2=[NH+]C1CCCC1 ZINC000065259954 570761929 /nfs/dbraw/zinc/76/19/29/570761929.db2.gz PQYRTXZWUPOFMP-JOCHJYFZSA-N 1 2 378.476 3.942 50 0 GHAALO COc1cccc(CNC(=O)[C@@H]2CCCN(c3[nH]c4ccc(Cl)cc4[nH+]3)C2)c1 ZINC000033071474 570803098 /nfs/dbraw/zinc/80/30/98/570803098.db2.gz DJWFOTXGFZVQEA-OAHLLOKOSA-N 1 2 398.894 3.758 50 0 GHAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000033106468 570811048 /nfs/dbraw/zinc/81/10/48/570811048.db2.gz UFLYJUJJTANRBL-UHFFFAOYSA-N 1 2 385.418 3.689 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 ZINC000012507816 570823741 /nfs/dbraw/zinc/82/37/41/570823741.db2.gz DOAODFKURQHLFL-IBGZPJMESA-N 1 2 391.862 3.779 50 0 GHAALO CN(C(=O)c1ccccc1SCc1cn2ccccc2[nH+]1)c1nncs1 ZINC000170596262 570854824 /nfs/dbraw/zinc/85/48/24/570854824.db2.gz GRRWDWAGILLLCE-UHFFFAOYSA-N 1 2 381.486 3.755 50 0 GHAALO Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032860066 570860068 /nfs/dbraw/zinc/86/00/68/570860068.db2.gz REALEBPVGUTDFX-UHFFFAOYSA-N 1 2 389.484 3.688 50 0 GHAALO Cc1ccccc1NC(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000065245186 570863456 /nfs/dbraw/zinc/86/34/56/570863456.db2.gz HUNSCAZOKWDJES-KRWDZBQOSA-N 1 2 379.508 3.995 50 0 GHAALO Cc1ccccc1NC(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000065245186 570863458 /nfs/dbraw/zinc/86/34/58/570863458.db2.gz HUNSCAZOKWDJES-KRWDZBQOSA-N 1 2 379.508 3.995 50 0 GHAALO COc1ccc([C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)c2[nH+]ccn2C)cc1 ZINC000012602737 570887107 /nfs/dbraw/zinc/88/71/07/570887107.db2.gz BCHHNFUKEFQUPH-LZGZYFLISA-N 1 2 379.504 3.851 50 0 GHAALO Cc1oc(-c2cccs2)nc1CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032900560 570894437 /nfs/dbraw/zinc/89/44/37/570894437.db2.gz AEXJPAUOXXFKGT-UHFFFAOYSA-N 1 2 392.484 3.815 50 0 GHAALO COc1cc(OC)cc([C@@H](Nc2ncnc3sccc32)c2[nH+]ccn2C)c1 ZINC000015525376 570896038 /nfs/dbraw/zinc/89/60/38/570896038.db2.gz RZRKXXCPAXLLCQ-MRXNPFEDSA-N 1 2 381.461 3.644 50 0 GHAALO CCN(C[C@@H]1CCCO1)C(=O)c1cccc(-c2ccc3c[nH+]c(N)cc3c2)c1 ZINC000534647301 570917181 /nfs/dbraw/zinc/91/71/81/570917181.db2.gz HNYQDKWAIFJIDL-NRFANRHFSA-N 1 2 375.472 3.955 50 0 GHAALO Cc1ccc(Cl)c(OCC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1 ZINC000012630043 570931566 /nfs/dbraw/zinc/93/15/66/570931566.db2.gz IQVPLTDFYFCRPQ-IBGZPJMESA-N 1 2 387.842 3.806 50 0 GHAALO CCC(CC)[C@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000032937696 570953173 /nfs/dbraw/zinc/95/31/73/570953173.db2.gz NNKXWYSXWPCKLE-QFIPXVFZSA-N 1 2 396.535 3.895 50 0 GHAALO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000252536143 570990868 /nfs/dbraw/zinc/99/08/68/570990868.db2.gz HQZFVDFNQPNTMR-CYBMUJFWSA-N 1 2 382.464 3.947 50 0 GHAALO C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000252536143 570990873 /nfs/dbraw/zinc/99/08/73/570990873.db2.gz HQZFVDFNQPNTMR-CYBMUJFWSA-N 1 2 382.464 3.947 50 0 GHAALO Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000091445065 571008785 /nfs/dbraw/zinc/00/87/85/571008785.db2.gz NMYNPVJKZNRMPD-HNNXBMFYSA-N 1 2 384.443 3.728 50 0 GHAALO CCOC(=O)C[N@H+](C)Cc1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1 ZINC000091695465 571026428 /nfs/dbraw/zinc/02/64/28/571026428.db2.gz BGQFVDVRCIKXRT-UHFFFAOYSA-N 1 2 395.425 3.828 50 0 GHAALO CCOC(=O)C[N@@H+](C)Cc1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1 ZINC000091695465 571026430 /nfs/dbraw/zinc/02/64/30/571026430.db2.gz BGQFVDVRCIKXRT-UHFFFAOYSA-N 1 2 395.425 3.828 50 0 GHAALO O=C(c1csc2c1CCCC2)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000095363833 571056986 /nfs/dbraw/zinc/05/69/86/571056986.db2.gz FGNOJNIXSKGJMR-GOEBONIOSA-N 1 2 387.574 3.820 50 0 GHAALO O=C(c1csc2c1CCCC2)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cscn1)C2 ZINC000095363833 571056988 /nfs/dbraw/zinc/05/69/88/571056988.db2.gz FGNOJNIXSKGJMR-GOEBONIOSA-N 1 2 387.574 3.820 50 0 GHAALO O=C(CCc1ccccc1)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095526731 571090971 /nfs/dbraw/zinc/09/09/71/571090971.db2.gz CUODIQUVSBTUNK-SFHVURJKSA-N 1 2 380.517 3.727 50 0 GHAALO Cc1nc2ccccn2c1C(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000095526537 571091075 /nfs/dbraw/zinc/09/10/75/571091075.db2.gz GBLXORPEMZKHGV-UHFFFAOYSA-N 1 2 377.492 3.659 50 0 GHAALO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccccc2OC(F)(F)C(F)F)C1 ZINC000095528841 571091921 /nfs/dbraw/zinc/09/19/21/571091921.db2.gz ODVKLSFGSJTIKF-LBPRGKRZSA-N 1 2 385.361 3.677 50 0 GHAALO Cc1c[nH+]c([C@@H]2CCN(C(=O)Cc3cccc(F)c3)C2)n1Cc1ccccc1 ZINC000581816542 837715972 /nfs/dbraw/zinc/71/59/72/837715972.db2.gz YTPXUZCXQQJQND-HXUWFJFHSA-N 1 2 377.463 3.938 50 0 GHAALO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000119170795 837237175 /nfs/dbraw/zinc/23/71/75/837237175.db2.gz OHHLTQYWGYDBKW-GFCCVEGCSA-N 1 2 380.901 3.824 50 0 GHAALO CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3ccc(-c4ccccc4)s3)C2)CC1 ZINC000175996219 841224267 /nfs/dbraw/zinc/22/42/67/841224267.db2.gz KIWVOOBWKBODRV-LJQANCHMSA-N 1 2 383.561 3.657 50 0 GHAALO Cc1ccc(NC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1Cl ZINC000058107458 862361984 /nfs/dbraw/zinc/36/19/84/862361984.db2.gz HPGLTPDUKXLTEQ-UHFFFAOYSA-N 1 2 381.904 3.576 50 0 GHAALO COc1ccccc1NC(=O)CN1CC[NH+](C/C=C\c2ccc(Cl)cc2)CC1 ZINC000509146382 859430334 /nfs/dbraw/zinc/43/03/34/859430334.db2.gz JBHMYNSTOBMIJY-PLNGDYQASA-N 1 2 399.922 3.618 50 0 GHAALO FC(F)(F)c1cccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)n1 ZINC000295831924 860424805 /nfs/dbraw/zinc/42/48/05/860424805.db2.gz HHRZXFXHIFMDQZ-OAHLLOKOSA-N 1 2 390.365 3.724 50 0 GHAALO FC(F)(F)c1cccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)n1 ZINC000295831924 860424809 /nfs/dbraw/zinc/42/48/09/860424809.db2.gz HHRZXFXHIFMDQZ-OAHLLOKOSA-N 1 2 390.365 3.724 50 0 GHAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccc(SC)cc1)[N@H+](C)CC3)OCO2 ZINC000020112443 860489570 /nfs/dbraw/zinc/48/95/70/860489570.db2.gz ZYKOXUBQWKOMLL-INIZCTEOSA-N 1 2 385.485 3.948 50 0 biogenic GHAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccc(SC)cc1)[N@@H+](C)CC3)OCO2 ZINC000020112443 860489577 /nfs/dbraw/zinc/48/95/77/860489577.db2.gz ZYKOXUBQWKOMLL-INIZCTEOSA-N 1 2 385.485 3.948 50 0 biogenic GHAALO c1ccc(-n2nc(C[N@@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)c3c2CCC3)cc1 ZINC000095980435 860731937 /nfs/dbraw/zinc/73/19/37/860731937.db2.gz PDUFJJCYCHKFHW-KRWDZBQOSA-N 1 2 388.519 3.736 50 0 GHAALO c1ccc(-n2nc(C[N@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)c3c2CCC3)cc1 ZINC000095980435 860731943 /nfs/dbraw/zinc/73/19/43/860731943.db2.gz PDUFJJCYCHKFHW-KRWDZBQOSA-N 1 2 388.519 3.736 50 0 GHAALO COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096232344 860816963 /nfs/dbraw/zinc/81/69/63/860816963.db2.gz GKWVCWTYSMVEOA-LLVKDONJSA-N 1 2 380.372 3.693 50 0 GHAALO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(Cl)cc3c2OCC3)c1C ZINC000184495239 864600246 /nfs/dbraw/zinc/60/02/46/864600246.db2.gz YQOWLWSPZXYKGM-UHFFFAOYSA-N 1 2 375.856 3.959 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000581805558 870026519 /nfs/dbraw/zinc/02/65/19/870026519.db2.gz CFCLFSZSXYUDKL-LJQANCHMSA-N 1 2 381.501 3.884 50 0 GHAALO Cc1cc(N2CCC[C@@H]3[C@@H](NC(=O)C(C)(F)F)C(C)(C)[C@H]32)nc(C(C)C)[nH+]1 ZINC000585137736 897817743 /nfs/dbraw/zinc/81/77/43/897817743.db2.gz RJVSSCDNWLERNJ-BMFZPTHFSA-N 1 2 380.483 3.673 50 0 GHAALO CC(=O)c1cccc(C[N@@H+]2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)c1 ZINC000019222234 919575219 /nfs/dbraw/zinc/57/52/19/919575219.db2.gz HHNPINBEZHJPEE-QFIPXVFZSA-N 1 2 378.472 3.565 50 0 GHAALO CC(=O)c1cccc(C[N@H+]2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)c1 ZINC000019222234 919575224 /nfs/dbraw/zinc/57/52/24/919575224.db2.gz HHNPINBEZHJPEE-QFIPXVFZSA-N 1 2 378.472 3.565 50 0 GHAALO O=C1CCCN1C[C@@H]([NH2+][C@@H]1CCCn2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000655690691 930487170 /nfs/dbraw/zinc/48/71/70/930487170.db2.gz IRBVMYPWNFSYFT-IAGOWNOFSA-N 1 2 392.425 3.690 50 0 GHAALO O=C(NCc1nc(-c2ccccc2)cs1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000426489353 231227452 /nfs/dbraw/zinc/22/74/52/231227452.db2.gz KFQYOLSUSAKJJO-INIZCTEOSA-N 1 2 381.505 3.628 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)C[C@H]4CCCO4)csc3C2)nc1 ZINC000426470904 529641879 /nfs/dbraw/zinc/64/18/79/529641879.db2.gz QAFLXBWGXITYNY-GOSISDBHSA-N 1 2 399.560 3.515 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)C[C@H]4CCCO4)csc3C2)nc1 ZINC000426470904 529641882 /nfs/dbraw/zinc/64/18/82/529641882.db2.gz QAFLXBWGXITYNY-GOSISDBHSA-N 1 2 399.560 3.515 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4C[C@@H](C)O[C@@H](C)C4)csc3C2)nc1 ZINC000426549931 529643392 /nfs/dbraw/zinc/64/33/92/529643392.db2.gz MFAFWEDCAJFCEP-IYBDPMFKSA-N 1 2 399.560 3.513 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4C[C@@H](C)O[C@@H](C)C4)csc3C2)nc1 ZINC000426549931 529643393 /nfs/dbraw/zinc/64/33/93/529643393.db2.gz MFAFWEDCAJFCEP-IYBDPMFKSA-N 1 2 399.560 3.513 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@@H](C)C(F)(F)F)csc3C2)nc1 ZINC000426404428 529644841 /nfs/dbraw/zinc/64/48/41/529644841.db2.gz ZFFIKMXYEKFNLD-LBPRGKRZSA-N 1 2 397.466 3.944 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@@H](C)C(F)(F)F)csc3C2)nc1 ZINC000426404428 529644843 /nfs/dbraw/zinc/64/48/43/529644843.db2.gz ZFFIKMXYEKFNLD-LBPRGKRZSA-N 1 2 397.466 3.944 50 0 GHAALO O=C(NCc1ccc(Cl)cc1)NC[C@@H](c1ccoc1)[NH+]1CCSCC1 ZINC000253396162 203814252 /nfs/dbraw/zinc/81/42/52/203814252.db2.gz DFLPIWJYADWVTG-KRWDZBQOSA-N 1 2 379.913 3.522 50 0 GHAALO Nn1c(SCc2cn3ccccc3[nH+]2)nnc1-c1ccc(Cl)cc1Cl ZINC000004289228 204036721 /nfs/dbraw/zinc/03/67/21/204036721.db2.gz DCWLGRGIBYMROT-UHFFFAOYSA-N 1 2 391.287 3.906 50 0 GHAALO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000003357547 204002205 /nfs/dbraw/zinc/00/22/05/204002205.db2.gz GUVFABNNDJKCNW-UHFFFAOYSA-N 1 2 381.245 3.667 50 0 GHAALO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000003357547 204002210 /nfs/dbraw/zinc/00/22/10/204002210.db2.gz GUVFABNNDJKCNW-UHFFFAOYSA-N 1 2 381.245 3.667 50 0 GHAALO C[C@H](NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000003537495 204012221 /nfs/dbraw/zinc/01/22/21/204012221.db2.gz VGAHNRVZEUKAQI-HNNXBMFYSA-N 1 2 389.484 3.785 50 0 GHAALO Cc1ccc(NC(=O)CN(c2cc[nH+]cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000006831729 204213766 /nfs/dbraw/zinc/21/37/66/204213766.db2.gz FTQQRNXENGHXCB-UHFFFAOYSA-N 1 2 395.484 3.532 50 0 GHAALO C[C@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050251 204231787 /nfs/dbraw/zinc/23/17/87/204231787.db2.gz 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Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1cc2c(c(Cl)c1)OCO2)c1ccccc1 ZINC000012506857 204414838 /nfs/dbraw/zinc/41/48/38/204414838.db2.gz LZYZYYHEGTXMQK-IHHMQQGQSA-N 1 2 395.846 3.721 50 0 GHAALO C[N@H+](Cc1cc(C(=O)N2CCC[C@H]2c2ccccn2)no1)Cc1ccccc1 ZINC000012307669 204394415 /nfs/dbraw/zinc/39/44/15/204394415.db2.gz ZMPBMGCDPTYJMC-NRFANRHFSA-N 1 2 376.460 3.679 50 0 GHAALO C[N@@H+](Cc1cc(C(=O)N2CCC[C@H]2c2ccccn2)no1)Cc1ccccc1 ZINC000012307669 204394421 /nfs/dbraw/zinc/39/44/21/204394421.db2.gz ZMPBMGCDPTYJMC-NRFANRHFSA-N 1 2 376.460 3.679 50 0 GHAALO CC[C@H](C)N1C(=O)[C@H](C(C)C)[NH2+]C12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000036019922 205002236 /nfs/dbraw/zinc/00/22/36/205002236.db2.gz KTWVFGHZVAPZLZ-YJBOKZPZSA-N 1 2 391.943 3.527 50 0 GHAALO Cc1cc2[nH+]c(Cc3ccccc3)n(CC(=O)NCCc3ccccn3)c2cc1C ZINC000037398482 205026500 /nfs/dbraw/zinc/02/65/00/205026500.db2.gz JLSFWLLOOWGJLB-UHFFFAOYSA-N 1 2 398.510 3.998 50 0 GHAALO Cc1cccc(NC(=O)C[NH+]2CCC(c3nnc(C(F)(F)F)o3)CC2)c1C ZINC000077198035 205034746 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O=c1c2nn(-c3ccccc3)cc2cnn1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000057089215 205153168 /nfs/dbraw/zinc/15/31/68/205153168.db2.gz MAHVBZOIEOFCJV-HXUWFJFHSA-N 1 2 377.492 3.584 50 0 GHAALO Cc1cccc(CNC(=O)CCC2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)c1 ZINC000065274135 205226137 /nfs/dbraw/zinc/22/61/37/205226137.db2.gz XHZGCFPRAKLBSH-UHFFFAOYSA-N 1 2 393.535 3.672 50 0 GHAALO Cc1cccc(CNC(=O)CCC2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)c1 ZINC000065274135 205226141 /nfs/dbraw/zinc/22/61/41/205226141.db2.gz XHZGCFPRAKLBSH-UHFFFAOYSA-N 1 2 393.535 3.672 50 0 GHAALO Cc1nn(-c2ccccc2)c(C)c1[C@@H]1CC(=O)NCc2[nH+]c3ccc(C)cn3c21 ZINC000065373694 205232131 /nfs/dbraw/zinc/23/21/31/205232131.db2.gz SWUHYCDEBNMNAV-SFHVURJKSA-N 1 2 385.471 3.597 50 0 GHAALO C[C@@H](c1ccco1)N(C)C(=O)c1cc2n(n1)CCC[N@H+](Cc1ccccc1)C2 ZINC000065417478 205234672 /nfs/dbraw/zinc/23/46/72/205234672.db2.gz HLXYIXIFBRNDSO-KRWDZBQOSA-N 1 2 378.476 3.715 50 0 GHAALO C[C@@H](c1ccco1)N(C)C(=O)c1cc2n(n1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000065417478 205234676 /nfs/dbraw/zinc/23/46/76/205234676.db2.gz HLXYIXIFBRNDSO-KRWDZBQOSA-N 1 2 378.476 3.715 50 0 GHAALO Cc1ccc(C)c(OCc2cc(C(=O)N(C)Cc3c[nH+]c4ccccn34)no2)c1 ZINC000067654706 205252338 /nfs/dbraw/zinc/25/23/38/205252338.db2.gz GHUTUHUKUOQLFQ-UHFFFAOYSA-N 1 2 390.443 3.790 50 0 GHAALO Cn1cc[nH+]c1-c1ccccc1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000067786462 205260093 /nfs/dbraw/zinc/26/00/93/205260093.db2.gz DOHTYJJBPRFTKS-UHFFFAOYSA-N 1 2 383.455 3.676 50 0 GHAALO Cc1ccccc1-c1cc(O)c2c(c1)CN(c1cc(N(C)C)[nH+]cn1)CCO2 ZINC000067834174 205262048 /nfs/dbraw/zinc/26/20/48/205262048.db2.gz PHPBISKMHREZNL-UHFFFAOYSA-N 1 2 376.460 3.623 50 0 GHAALO Cc1ccccc1-c1cc(O)c2c(c1)CN(c1cc(N(C)C)nc[nH+]1)CCO2 ZINC000067834174 205262053 /nfs/dbraw/zinc/26/20/53/205262053.db2.gz PHPBISKMHREZNL-UHFFFAOYSA-N 1 2 376.460 3.623 50 0 GHAALO COCC[C@H]1C[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)CCO1 ZINC000072433177 205351314 /nfs/dbraw/zinc/35/13/14/205351314.db2.gz HDEBWHZPYPVJQZ-INIZCTEOSA-N 1 2 384.398 3.906 50 0 GHAALO COCC[C@H]1C[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)CCO1 ZINC000072433177 205351318 /nfs/dbraw/zinc/35/13/18/205351318.db2.gz HDEBWHZPYPVJQZ-INIZCTEOSA-N 1 2 384.398 3.906 50 0 GHAALO COc1ccc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccsc3)CC2)cc1Cl ZINC000022933240 205967064 /nfs/dbraw/zinc/96/70/64/205967064.db2.gz QPBXCGUHWSSTLP-AWEZNQCLSA-N 1 2 393.940 3.555 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(CSc2ccccn2)cc1)C1CC1 ZINC000299784146 206190567 /nfs/dbraw/zinc/19/05/67/206190567.db2.gz IXTGQPUSBCEYFO-IBGZPJMESA-N 1 2 378.501 3.989 50 0 GHAALO O=C(Nc1nc(C[NH+]2CCCC2)cs1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000012903739 221243598 /nfs/dbraw/zinc/24/35/98/221243598.db2.gz MZWDGFKIQZRIPS-GOSISDBHSA-N 1 2 387.505 3.549 50 0 GHAALO C[C@H](C(=O)N[C@H]1CCCc2ccccc21)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000058163282 136154625 /nfs/dbraw/zinc/15/46/25/136154625.db2.gz WMLJSUHXGNJSKG-VGSWGCGISA-N 1 2 381.495 3.530 50 0 GHAALO c1ccc2c(c1)CC[N@@H+](Cc1nc(-c3ccc(N4CCCCC4)nc3)no1)C2 ZINC000065215938 136160190 /nfs/dbraw/zinc/16/01/90/136160190.db2.gz ONSQVYANFUONPX-UHFFFAOYSA-N 1 2 375.476 3.680 50 0 GHAALO c1ccc2c(c1)CC[N@H+](Cc1nc(-c3ccc(N4CCCCC4)nc3)no1)C2 ZINC000065215938 136160191 /nfs/dbraw/zinc/16/01/91/136160191.db2.gz ONSQVYANFUONPX-UHFFFAOYSA-N 1 2 375.476 3.680 50 0 GHAALO CC(=O)c1ccc(N2CC[NH+](Cc3cc(=O)oc4c(C)c(C)ccc34)CC2)cc1 ZINC000089665836 136175668 /nfs/dbraw/zinc/17/56/68/136175668.db2.gz PAEBOHZJTHYONQ-UHFFFAOYSA-N 1 2 390.483 3.935 50 0 GHAALO Cc1cccc2[nH+]c([C@H]3CCCN(c4cc(C(=O)NC5CC5)ccn4)C3)[nH]c21 ZINC000096138689 136184322 /nfs/dbraw/zinc/18/43/22/136184322.db2.gz WKVZGDLFIXOUMX-INIZCTEOSA-N 1 2 375.476 3.543 50 0 GHAALO Cc1cccc2[nH]c([C@H]3CCCN(c4cc(C(=O)NC5CC5)ccn4)C3)[nH+]c21 ZINC000096138689 136184323 /nfs/dbraw/zinc/18/43/23/136184323.db2.gz WKVZGDLFIXOUMX-INIZCTEOSA-N 1 2 375.476 3.543 50 0 GHAALO CC[C@@H](NC(=O)Nc1ccc(C(=O)NC(C)C)c(Cl)c1)c1[nH]cc(C)[nH+]1 ZINC000096164634 570217952 /nfs/dbraw/zinc/21/79/52/570217952.db2.gz MDNSDNXTRYKFIY-OAHLLOKOSA-N 1 2 377.876 3.783 50 0 GHAALO Cc1c[nH]c(C[N@@H+](C)Cc2ccc(-c3nc(C(F)(F)F)c(C)c(=O)[nH]3)cc2)n1 ZINC000048175438 570220098 /nfs/dbraw/zinc/22/00/98/570220098.db2.gz OKDMUYRZAKZJFT-UHFFFAOYSA-N 1 2 391.397 3.840 50 0 GHAALO Cc1c[nH]c(C[N@H+](C)Cc2ccc(-c3nc(C(F)(F)F)c(C)c(=O)[nH]3)cc2)n1 ZINC000048175438 570220103 /nfs/dbraw/zinc/22/01/03/570220103.db2.gz OKDMUYRZAKZJFT-UHFFFAOYSA-N 1 2 391.397 3.840 50 0 GHAALO C[C@H](O)c1cc(Cl)ccc1Sc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000000717541 570220143 /nfs/dbraw/zinc/22/01/43/570220143.db2.gz XHCDZVYXZIGXKH-AWEZNQCLSA-N 1 2 390.936 3.932 50 0 GHAALO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(Br)cc1 ZINC000000785913 570223311 /nfs/dbraw/zinc/22/33/11/570223311.db2.gz DDZJJMBVLDITIT-CQSZACIVSA-N 1 2 375.266 3.801 50 0 GHAALO COc1ccc(C[NH+]2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000019889445 570227894 /nfs/dbraw/zinc/22/78/94/570227894.db2.gz OXSJVWMBJSNRGC-UHFFFAOYSA-N 1 2 390.483 3.572 50 0 GHAALO O=C(c1cnc(C[NH+]2CCCC2)s1)N(Cc1ccco1)Cc1ccncc1 ZINC000097657358 570248905 /nfs/dbraw/zinc/24/89/05/570248905.db2.gz GMAHORMFUNATQL-UHFFFAOYSA-N 1 2 382.489 3.570 50 0 GHAALO CCCCCn1c2ccccc2n(C[C@@H](O)COc2ccc(OC)cc2)c1=[NH2+] ZINC000020266888 570250565 /nfs/dbraw/zinc/25/05/65/570250565.db2.gz WAGHQEIGIYWMMH-QGZVFWFLSA-N 1 2 383.492 3.561 50 0 GHAALO Cc1cccc2[nH+]c(CNC(=O)N(Cc3ccccc3)C[C@H]3CCCO3)cn21 ZINC000069480036 570255725 /nfs/dbraw/zinc/25/57/25/570255725.db2.gz MIPUXASVGISQSZ-HXUWFJFHSA-N 1 2 378.476 3.534 50 0 GHAALO COc1ccc(CN2CC[N@H+](Cc3cc4ccccc4[nH]3)C[C@H]2CCO)cc1C ZINC000104531073 570260143 /nfs/dbraw/zinc/26/01/43/570260143.db2.gz MYXCUYMCVKJICQ-JOCHJYFZSA-N 1 2 393.531 3.554 50 0 GHAALO COc1ccc(CN2CC[N@@H+](Cc3cc4ccccc4[nH]3)C[C@H]2CCO)cc1C ZINC000104531073 570260145 /nfs/dbraw/zinc/26/01/45/570260145.db2.gz MYXCUYMCVKJICQ-JOCHJYFZSA-N 1 2 393.531 3.554 50 0 GHAALO Cc1ccc(-c2nc3c(c(SCC[NH+]4CCOCC4)n2)COC(C)(C)C3)cc1 ZINC000020546913 570267063 /nfs/dbraw/zinc/26/70/63/570267063.db2.gz IXFMJQHBLSWBFK-UHFFFAOYSA-N 1 2 399.560 3.728 50 0 GHAALO COc1cccc(N2CC[NH+](Cc3cc(Br)ccc3OC)CC2)c1 ZINC000055142246 570278908 /nfs/dbraw/zinc/27/89/08/570278908.db2.gz BDSCRLBZWIPFGX-UHFFFAOYSA-N 1 2 391.309 3.789 50 0 GHAALO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000021419752 570290970 /nfs/dbraw/zinc/29/09/70/570290970.db2.gz RZQVQILFAJMKMC-UHFFFAOYSA-N 1 2 380.517 3.856 50 0 GHAALO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000021419752 570290972 /nfs/dbraw/zinc/29/09/72/570290972.db2.gz RZQVQILFAJMKMC-UHFFFAOYSA-N 1 2 380.517 3.856 50 0 GHAALO O=C(Nc1ccccc1)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000022010222 570301483 /nfs/dbraw/zinc/30/14/83/570301483.db2.gz DIYYCMXMRZACON-QHCPKHFHSA-N 1 2 387.483 3.894 50 0 GHAALO C[C@@H](c1nnc(SCC(=O)OC(C)(C)C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000022718685 570325518 /nfs/dbraw/zinc/32/55/18/570325518.db2.gz JKDBSOQNDUWISD-LBPRGKRZSA-N 1 2 396.944 3.977 50 0 GHAALO Cc1ccc2[nH+]c(CN3CCN(Cc4nc5ccccc5s4)CC3)cn2c1 ZINC000022799884 570328643 /nfs/dbraw/zinc/32/86/43/570328643.db2.gz OPUUSGUDPWDKQE-UHFFFAOYSA-N 1 2 377.517 3.570 50 0 GHAALO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000022930666 570336476 /nfs/dbraw/zinc/33/64/76/570336476.db2.gz GRBCSPXXIJYMDJ-ZDUSSCGKSA-N 1 2 382.291 3.731 50 0 GHAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000024118360 570379308 /nfs/dbraw/zinc/37/93/08/570379308.db2.gz ACZMSQKTRIHJDV-UHFFFAOYSA-N 1 2 378.394 3.672 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)CSCCc1ccccc1)c1cccc(F)c1 ZINC000024830598 570394739 /nfs/dbraw/zinc/39/47/39/570394739.db2.gz QZHMRSKNELOGRP-HXUWFJFHSA-N 1 2 383.492 3.741 50 0 GHAALO CCc1ccc(CNC(=O)C2CCN(c3ccc(-n4cccc4)c[nH+]3)CC2)cc1 ZINC000033106230 570402160 /nfs/dbraw/zinc/40/21/60/570402160.db2.gz MMDLSQZQWQENRH-UHFFFAOYSA-N 1 2 388.515 3.968 50 0 GHAALO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)[C@H]1C ZINC000239672686 570430454 /nfs/dbraw/zinc/43/04/54/570430454.db2.gz BUSAWCAGVPGSTE-QEEYODRMSA-N 1 2 392.490 3.800 50 0 GHAALO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2ccc3c(c2)OCCO3)no1 ZINC000027354742 570433589 /nfs/dbraw/zinc/43/35/89/570433589.db2.gz AUXYPAFSEYDJAT-OAQYLSRUSA-N 1 2 393.443 3.566 50 0 GHAALO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2ccc3c(c2)OCCO3)no1 ZINC000027354742 570433590 /nfs/dbraw/zinc/43/35/90/570433590.db2.gz AUXYPAFSEYDJAT-OAQYLSRUSA-N 1 2 393.443 3.566 50 0 GHAALO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cn2nc(C3CC3)n(C3CC3)c2=S)C1 ZINC000028816939 570464737 /nfs/dbraw/zinc/46/47/37/570464737.db2.gz VUWNXPVVUSKBTR-INIZCTEOSA-N 1 2 397.548 3.935 50 0 GHAALO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cn2nc(C3CC3)n(C3CC3)c2=S)C1 ZINC000028816939 570464743 /nfs/dbraw/zinc/46/47/43/570464743.db2.gz VUWNXPVVUSKBTR-INIZCTEOSA-N 1 2 397.548 3.935 50 0 GHAALO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)c(OC)c3)[C@@H](C)C(=O)[C@H]2C)cc1OC ZINC000101159607 570541900 /nfs/dbraw/zinc/54/19/00/570541900.db2.gz VOOAAKGQPAZLIF-ZYKUOIRYSA-N 1 2 399.487 3.948 50 0 GHAALO COc1ccc2[nH]cc(C(=O)[C@@H](C)[NH+]3CCN(c4ccccc4OC)CC3)c2c1 ZINC000034847940 570544987 /nfs/dbraw/zinc/54/49/87/570544987.db2.gz XQXLZFMPOPWCCP-MRXNPFEDSA-N 1 2 393.487 3.579 50 0 GHAALO Cc1c2ccccc2oc1C(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000022830797 570554627 /nfs/dbraw/zinc/55/46/27/570554627.db2.gz SVBJVESACDRYGM-UHFFFAOYSA-N 1 2 376.456 3.634 50 0 GHAALO O=S(=O)(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022907943 570564625 /nfs/dbraw/zinc/56/46/25/570564625.db2.gz GAYUMTPUTHFONF-FQEVSTJZSA-N 1 2 398.553 3.826 50 0 GHAALO O=S(=O)(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022907943 570564630 /nfs/dbraw/zinc/56/46/30/570564630.db2.gz GAYUMTPUTHFONF-FQEVSTJZSA-N 1 2 398.553 3.826 50 0 GHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000003585574 570611907 /nfs/dbraw/zinc/61/19/07/570611907.db2.gz MUSWFCDARGADGM-UHFFFAOYSA-N 1 2 382.382 3.793 50 0 GHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000003585574 570611909 /nfs/dbraw/zinc/61/19/09/570611909.db2.gz MUSWFCDARGADGM-UHFFFAOYSA-N 1 2 382.382 3.793 50 0 GHAALO Brc1nc(Br)n(C[N@H+](CC2CCCCC2)C2CC2)n1 ZINC000072312395 570648255 /nfs/dbraw/zinc/64/82/55/570648255.db2.gz RIZCJOYYHHOLCW-UHFFFAOYSA-N 1 2 392.139 3.805 50 0 GHAALO Brc1nc(Br)n(C[N@@H+](CC2CCCCC2)C2CC2)n1 ZINC000072312395 570648258 /nfs/dbraw/zinc/64/82/58/570648258.db2.gz RIZCJOYYHHOLCW-UHFFFAOYSA-N 1 2 392.139 3.805 50 0 GHAALO COc1ccc(-c2nc(C[N@H+](CCO)Cc3cccs3)c(C)o2)c(OC)c1 ZINC000012432692 570660753 /nfs/dbraw/zinc/66/07/53/570660753.db2.gz TXBINBJHKFUOTP-UHFFFAOYSA-N 1 2 388.489 3.723 50 0 GHAALO COc1ccc(-c2nc(C[N@@H+](CCO)Cc3cccs3)c(C)o2)c(OC)c1 ZINC000012432692 570660755 /nfs/dbraw/zinc/66/07/55/570660755.db2.gz TXBINBJHKFUOTP-UHFFFAOYSA-N 1 2 388.489 3.723 50 0 GHAALO Cc1ccsc1CN(C)C(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)n[nH]1 ZINC000012442374 570664817 /nfs/dbraw/zinc/66/48/17/570664817.db2.gz DRYIKMOSWDRCIO-UHFFFAOYSA-N 1 2 379.489 3.758 50 0 GHAALO COc1ccc(C[N@H+](C)Cc2nc(COc3ccccc3)no2)c2cccnc12 ZINC000012457737 570669696 /nfs/dbraw/zinc/66/96/96/570669696.db2.gz QOSZIEXALLIXSA-UHFFFAOYSA-N 1 2 390.443 3.837 50 0 GHAALO COc1ccc(C[N@@H+](C)Cc2nc(COc3ccccc3)no2)c2cccnc12 ZINC000012457737 570669698 /nfs/dbraw/zinc/66/96/98/570669698.db2.gz QOSZIEXALLIXSA-UHFFFAOYSA-N 1 2 390.443 3.837 50 0 GHAALO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)c4ccccc4)C3)n2)cc1 ZINC000012471652 570672900 /nfs/dbraw/zinc/67/29/00/570672900.db2.gz ZUEMGURYEBXDJG-GOSISDBHSA-N 1 2 377.444 3.840 50 0 GHAALO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)c4ccccc4)C3)n2)cc1 ZINC000012471652 570672901 /nfs/dbraw/zinc/67/29/01/570672901.db2.gz ZUEMGURYEBXDJG-GOSISDBHSA-N 1 2 377.444 3.840 50 0 GHAALO Cc1oc(-c2cccc(C)c2)nc1C[NH+]1CCN(c2nc(C)cnc2C)CC1 ZINC000055107906 570683578 /nfs/dbraw/zinc/68/35/78/570683578.db2.gz KHQNZXQGAINLGQ-UHFFFAOYSA-N 1 2 377.492 3.687 50 0 GHAALO CCCCCCn1c(O)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=S ZINC000017198157 570702162 /nfs/dbraw/zinc/70/21/62/570702162.db2.gz IIELFSNHXNFQIU-GOSISDBHSA-N 1 2 398.532 3.908 50 0 biogenic GHAALO CCCCCCn1c(=O)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(O)[nH]c1=S ZINC000017198157 570702165 /nfs/dbraw/zinc/70/21/65/570702165.db2.gz IIELFSNHXNFQIU-GOSISDBHSA-N 1 2 398.532 3.908 50 0 biogenic GHAALO COc1ccccc1NC(=S)N[C@H](C)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000013878789 570703423 /nfs/dbraw/zinc/70/34/23/570703423.db2.gz GNMFRKIFUKWMBP-RDTXWAMCSA-N 1 2 391.562 3.505 50 0 GHAALO O=C(Nc1ccccc1F)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000012920006 570728286 /nfs/dbraw/zinc/72/82/86/570728286.db2.gz MYKCJZUDGHKYBA-UHFFFAOYSA-N 1 2 377.847 3.708 50 0 GHAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000052537725 570753068 /nfs/dbraw/zinc/75/30/68/570753068.db2.gz PGDMJBOGAQBQTP-UHFFFAOYSA-N 1 2 381.373 3.605 50 0 GHAALO CC(C)(C)N=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)c1cccc(F)c1)C2 ZINC000065265952 570768828 /nfs/dbraw/zinc/76/88/28/570768828.db2.gz SUVDCPSJKBKVDW-QHCPKHFHSA-N 1 2 394.494 3.632 50 0 GHAALO Cc1ccccc1C(=O)N1CC[C@@]2(C1)[NH2+]Cc1ccccc1NC2=NC(C)(C)C ZINC000065266028 570769456 /nfs/dbraw/zinc/76/94/56/570769456.db2.gz AWVICPFGNLQBTK-DEOSSOPVSA-N 1 2 390.531 3.801 50 0 GHAALO O=C(NCCCc1ccccc1)C1CCN(c2ccc(-n3cccc3)c[nH+]2)CC1 ZINC000033106188 570811187 /nfs/dbraw/zinc/81/11/87/570811187.db2.gz NHRAMNKCDQDIFD-UHFFFAOYSA-N 1 2 388.515 3.838 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1F ZINC000012507767 570823539 /nfs/dbraw/zinc/82/35/39/570823539.db2.gz DKBRKAKKWNAOIN-GOSISDBHSA-N 1 2 375.806 3.800 50 0 GHAALO O=C(CCc1nc(-c2ccco2)no1)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000012535514 570835771 /nfs/dbraw/zinc/83/57/71/570835771.db2.gz FGTNFCFIXZQITI-UHFFFAOYSA-N 1 2 391.431 3.977 50 0 GHAALO CCOc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1OC(F)F ZINC000032905533 570903415 /nfs/dbraw/zinc/90/34/15/570903415.db2.gz BACDBXFJFKWWFZ-UHFFFAOYSA-N 1 2 391.418 3.612 50 0 GHAALO Cc1cc2oc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc(=O)c2cc1C ZINC000015859923 570906768 /nfs/dbraw/zinc/90/67/68/570906768.db2.gz XZSHDBPLEODIIT-SFHVURJKSA-N 1 2 394.471 3.960 50 0 GHAALO Cc1cc(N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000016103234 570913735 /nfs/dbraw/zinc/91/37/35/570913735.db2.gz CXLIDYDJABSFEG-UHFFFAOYSA-N 1 2 382.508 3.658 50 0 GHAALO NC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000023153826 570919733 /nfs/dbraw/zinc/91/97/33/570919733.db2.gz LAWJUPKEKZAZQY-UHFFFAOYSA-N 1 2 397.544 3.924 50 0 GHAALO NC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000023153826 570919735 /nfs/dbraw/zinc/91/97/35/570919735.db2.gz LAWJUPKEKZAZQY-UHFFFAOYSA-N 1 2 397.544 3.924 50 0 GHAALO C[C@@H]1CN(c2ccc(CNC(=O)CCCc3ccc(Cl)cc3)c[nH+]2)CCO1 ZINC000044552983 570975456 /nfs/dbraw/zinc/97/54/56/570975456.db2.gz HCNDZHTVSQDZSH-MRXNPFEDSA-N 1 2 387.911 3.599 50 0 GHAALO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000091505866 571011627 /nfs/dbraw/zinc/01/16/27/571011627.db2.gz HTAARILHAGTHFF-GOSISDBHSA-N 1 2 381.455 3.806 50 0 GHAALO CCCc1nn2c(nc(C[N@H+](Cc3ccco3)Cc3ccccc3)cc2=O)s1 ZINC000046032353 571014215 /nfs/dbraw/zinc/01/42/15/571014215.db2.gz DGWIFBRVUNFALK-UHFFFAOYSA-N 1 2 394.500 3.899 50 0 GHAALO CCCc1nn2c(nc(C[N@@H+](Cc3ccco3)Cc3ccccc3)cc2=O)s1 ZINC000046032353 571014220 /nfs/dbraw/zinc/01/42/20/571014220.db2.gz DGWIFBRVUNFALK-UHFFFAOYSA-N 1 2 394.500 3.899 50 0 GHAALO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1C(F)(F)F ZINC000012784866 571038037 /nfs/dbraw/zinc/03/80/37/571038037.db2.gz ZQWQJJJQOKOJOG-UHFFFAOYSA-N 1 2 380.366 3.547 50 0 GHAALO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1C(F)(F)F ZINC000012784866 571038041 /nfs/dbraw/zinc/03/80/41/571038041.db2.gz ZQWQJJJQOKOJOG-UHFFFAOYSA-N 1 2 380.366 3.547 50 0 GHAALO CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000095359435 571054293 /nfs/dbraw/zinc/05/42/93/571054293.db2.gz MCOGKQIGPOFZSH-UHFFFAOYSA-N 1 2 380.467 3.540 50 0 GHAALO COc1ccc(C[N@@H+]2CCc3nc(-c4ccccc4)[nH]c3C2)c(OC)c1OC ZINC000095508422 571080290 /nfs/dbraw/zinc/08/02/90/571080290.db2.gz RSOPNFKDAZLHFS-UHFFFAOYSA-N 1 2 379.460 3.661 50 0 GHAALO COc1ccc(C[N@H+]2CCc3nc(-c4ccccc4)[nH]c3C2)c(OC)c1OC ZINC000095508422 571080292 /nfs/dbraw/zinc/08/02/92/571080292.db2.gz RSOPNFKDAZLHFS-UHFFFAOYSA-N 1 2 379.460 3.661 50 0 GHAALO Cc1cc(CC(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)ccc1F ZINC000095520890 571086989 /nfs/dbraw/zinc/08/69/89/571086989.db2.gz ROVQTIXMVPXXQF-UHFFFAOYSA-N 1 2 392.478 3.723 50 0 GHAALO CCn1cc(CN2CC[N@H+](Cc3ccc(C)o3)[C@@H](CCO)C2)c2ccccc21 ZINC000022913561 846764675 /nfs/dbraw/zinc/76/46/75/846764675.db2.gz UAHVPWKJJQAKJM-FQEVSTJZSA-N 1 2 381.520 3.631 50 0 GHAALO CCn1cc(CN2CC[N@@H+](Cc3ccc(C)o3)[C@@H](CCO)C2)c2ccccc21 ZINC000022913561 846764681 /nfs/dbraw/zinc/76/46/81/846764681.db2.gz UAHVPWKJJQAKJM-FQEVSTJZSA-N 1 2 381.520 3.631 50 0 GHAALO CCS(=O)(=O)c1ncc(C[N@H+](C)CCC(C)C)n1CCCc1ccccc1 ZINC000011819966 857421944 /nfs/dbraw/zinc/42/19/44/857421944.db2.gz OERWOGPUHXSDJD-UHFFFAOYSA-N 1 2 391.581 3.787 50 0 GHAALO CCS(=O)(=O)c1ncc(C[N@@H+](C)CCC(C)C)n1CCCc1ccccc1 ZINC000011819966 857421954 /nfs/dbraw/zinc/42/19/54/857421954.db2.gz OERWOGPUHXSDJD-UHFFFAOYSA-N 1 2 391.581 3.787 50 0 GHAALO CCOC(CNc1[nH+]cnc2c1cnn2-c1cc(Cl)ccc1C)OCC ZINC000027816349 858439983 /nfs/dbraw/zinc/43/99/83/858439983.db2.gz AXHYGTIITOWRMK-UHFFFAOYSA-N 1 2 375.860 3.588 50 0 GHAALO C[C@H](NC(=O)N1CCO[C@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095350794 860555148 /nfs/dbraw/zinc/55/51/48/860555148.db2.gz BYNQRZLEZKRIPD-UWJYYQICSA-N 1 2 376.460 3.716 50 0 GHAALO O=C(Cc1csc(-c2ccsc2)n1)N1CC[NH+](Cc2cccs2)CC1 ZINC000021929781 860989471 /nfs/dbraw/zinc/98/94/71/860989471.db2.gz ZXKWFAGLHBGGCY-UHFFFAOYSA-N 1 2 389.571 3.820 50 0 GHAALO CCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1CC[N@H+](C)C2 ZINC000096592297 860995557 /nfs/dbraw/zinc/99/55/57/860995557.db2.gz YRMJOYYKQJOXSJ-UHFFFAOYSA-N 1 2 393.509 3.861 50 0 GHAALO CCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1CC[N@@H+](C)C2 ZINC000096592297 860995574 /nfs/dbraw/zinc/99/55/74/860995574.db2.gz YRMJOYYKQJOXSJ-UHFFFAOYSA-N 1 2 393.509 3.861 50 0 GHAALO Cc1ccc(-c2nc(CN3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)no2)cc1 ZINC000096889848 861050500 /nfs/dbraw/zinc/05/05/00/861050500.db2.gz CPFXSGJAOSYYLS-UHFFFAOYSA-N 1 2 392.507 3.589 50 0 GHAALO Fc1cc(C[NH2+]Cc2csc(-c3ccsc3)n2)cnc1N1CCOCC1 ZINC000185077149 865144791 /nfs/dbraw/zinc/14/47/91/865144791.db2.gz YYLGKYVGHMAQJI-UHFFFAOYSA-N 1 2 390.509 3.532 50 0 GHAALO Cc1c[nH+]c(C2CN(C(=O)[C@@H](C)Oc3ccccc3)C2)n1Cc1ccccc1 ZINC000575552477 866192230 /nfs/dbraw/zinc/19/22/30/866192230.db2.gz BDDKNRAHZDMTMF-GOSISDBHSA-N 1 2 375.472 3.633 50 0 GHAALO Cc1ccc2nc(CCCNC(=O)[C@@H](c3ccccc3C)[NH+](C)C)[nH]c2c1C ZINC000952985411 904671515 /nfs/dbraw/zinc/67/15/15/904671515.db2.gz AGRAMVVNYSCMLX-JOCHJYFZSA-N 1 2 378.520 3.840 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCCc4ccco4)csc3C2)nc1 ZINC000426733938 529644729 /nfs/dbraw/zinc/64/47/29/529644729.db2.gz AMLOUCLOQIEXJB-UHFFFAOYSA-N 1 2 395.528 3.829 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCCc4ccco4)csc3C2)nc1 ZINC000426733938 529644730 /nfs/dbraw/zinc/64/47/30/529644730.db2.gz AMLOUCLOQIEXJB-UHFFFAOYSA-N 1 2 395.528 3.829 50 0 GHAALO O=C(NC(=O)c1cccc(C(F)(F)F)c1)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000004602669 204056836 /nfs/dbraw/zinc/05/68/36/204056836.db2.gz NFOBTXLABJBEJK-HOCLYGCPSA-N 1 2 384.398 3.836 50 0 GHAALO O=C(NC(=O)c1cccc(C(F)(F)F)c1)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000004602669 204056839 /nfs/dbraw/zinc/05/68/39/204056839.db2.gz NFOBTXLABJBEJK-HOCLYGCPSA-N 1 2 384.398 3.836 50 0 GHAALO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000005427283 204132195 /nfs/dbraw/zinc/13/21/95/204132195.db2.gz RRMNNLZGIMTSRT-UHFFFAOYSA-N 1 2 376.504 3.700 50 0 GHAALO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000007266724 204237920 /nfs/dbraw/zinc/23/79/20/204237920.db2.gz WRRYRJZXLDPRJW-GFCCVEGCSA-N 1 2 386.323 3.701 50 0 GHAALO C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000007266724 204237923 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Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)NCCC(C)C)CC3)cn2)cc1C ZINC000035403597 570351441 /nfs/dbraw/zinc/35/14/41/570351441.db2.gz VJUJFOMALMSZRF-UHFFFAOYSA-N 1 2 380.536 3.741 50 0 GHAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)NCCC(C)C)CC3)cn2)cc1C ZINC000035403597 570351442 /nfs/dbraw/zinc/35/14/42/570351442.db2.gz VJUJFOMALMSZRF-UHFFFAOYSA-N 1 2 380.536 3.741 50 0 GHAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC(=O)c1cccn1C)CC2 ZINC000035335099 570356690 /nfs/dbraw/zinc/35/66/90/570356690.db2.gz SUQPKHLJDMGUOH-XMMPIXPASA-N 1 2 390.483 3.873 50 0 GHAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC(=O)c1cccn1C)CC2 ZINC000035335099 570356692 /nfs/dbraw/zinc/35/66/92/570356692.db2.gz SUQPKHLJDMGUOH-XMMPIXPASA-N 1 2 390.483 3.873 50 0 GHAALO O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023485539 570363704 /nfs/dbraw/zinc/36/37/04/570363704.db2.gz ODEBXMQLHLFFRR-INIZCTEOSA-N 1 2 399.343 3.787 50 0 GHAALO COc1ccc(C[NH+]2CCN(C(=O)Cc3coc4cc(C)ccc34)CC2)cc1F ZINC000024002173 570377048 /nfs/dbraw/zinc/37/70/48/570377048.db2.gz ANDVZWIILHLTAG-UHFFFAOYSA-N 1 2 396.462 3.776 50 0 GHAALO COc1ccc([C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)c2[nH+]ccn2C)cc1 ZINC000024025654 570377251 /nfs/dbraw/zinc/37/72/51/570377251.db2.gz QBJFZJOWZDXFQV-HSZRJFAPSA-N 1 2 389.499 3.756 50 0 GHAALO Cc1nc(-c2ccccc2)sc1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025254790 570409684 /nfs/dbraw/zinc/40/96/84/570409684.db2.gz SVPLKFWYXJRBOV-GASCZTMLSA-N 1 2 387.549 3.736 50 0 GHAALO Cc1nc(-c2ccccc2)sc1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025254790 570409688 /nfs/dbraw/zinc/40/96/88/570409688.db2.gz SVPLKFWYXJRBOV-GASCZTMLSA-N 1 2 387.549 3.736 50 0 GHAALO Cc1ccc(C)c(SCC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000025337116 570411445 /nfs/dbraw/zinc/41/14/45/570411445.db2.gz VDGZDNGPJSFVNO-XXBNENTESA-N 1 2 398.572 3.974 50 0 GHAALO Clc1ccc(C[NH+]2CCN(Cc3nc(Cc4ccccc4)no3)CC2)cc1 ZINC000027720750 570440663 /nfs/dbraw/zinc/44/06/63/570440663.db2.gz MJQWECHNOABJSL-UHFFFAOYSA-N 1 2 382.895 3.632 50 0 GHAALO COc1cccc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)[NH+]2CCOCC2)c1 ZINC000028291026 570456014 /nfs/dbraw/zinc/45/60/14/570456014.db2.gz MEUXABXZXMLIJU-JOCHJYFZSA-N 1 2 382.504 3.622 50 0 GHAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)C1 ZINC000028684477 570462714 /nfs/dbraw/zinc/46/27/14/570462714.db2.gz JEFMHINPSSXLDW-OAHLLOKOSA-N 1 2 398.532 3.754 50 0 GHAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)C1 ZINC000028684477 570462716 /nfs/dbraw/zinc/46/27/16/570462716.db2.gz JEFMHINPSSXLDW-OAHLLOKOSA-N 1 2 398.532 3.754 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(c2ccccc2)CC1)c1ccccc1F ZINC000029725060 570478724 /nfs/dbraw/zinc/47/87/24/570478724.db2.gz GOLDULPZNIABBX-IBGZPJMESA-N 1 2 378.451 3.680 50 0 GHAALO COc1ccc2[nH]cc(C(=O)[C@H](C)[NH+]3CCN(c4ccccc4OC)CC3)c2c1 ZINC000034847939 570544794 /nfs/dbraw/zinc/54/47/94/570544794.db2.gz XQXLZFMPOPWCCP-INIZCTEOSA-N 1 2 393.487 3.579 50 0 GHAALO CCCN(CCC)c1nc(Nc2ccc(Cl)cc2)nc(N2CCOCC2)[nH+]1 ZINC000000842756 570639941 /nfs/dbraw/zinc/63/99/41/570639941.db2.gz GOKYSBPIJCYYDE-UHFFFAOYSA-N 1 2 390.919 3.732 50 0 GHAALO C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018047636 570797608 /nfs/dbraw/zinc/79/76/08/570797608.db2.gz WXVHCTUONINNPE-KGLIPLIRSA-N 1 2 392.484 3.796 50 0 GHAALO COc1ccc(Cl)cc1NC(=O)N1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000033106502 570811198 /nfs/dbraw/zinc/81/11/98/570811198.db2.gz LZVZKKLCTXRMCK-UHFFFAOYSA-N 1 2 399.882 3.589 50 0 GHAALO Cc1noc2nc(C3CC3)cc(C(=O)N3CC[NH+](Cc4ccccc4F)CC3)c12 ZINC000014069227 570818164 /nfs/dbraw/zinc/81/81/64/570818164.db2.gz MZNKMNOEVBGCMX-UHFFFAOYSA-N 1 2 394.450 3.506 50 0 GHAALO C[N@@H+]1CCc2nc(NC(=O)COc3ccc(Cl)c4ccccc34)sc2C1 ZINC000014197287 570829227 /nfs/dbraw/zinc/82/92/27/570829227.db2.gz HUMNPPVRZURJQI-UHFFFAOYSA-N 1 2 387.892 3.955 50 0 GHAALO C[N@H+]1CCc2nc(NC(=O)COc3ccc(Cl)c4ccccc34)sc2C1 ZINC000014197287 570829228 /nfs/dbraw/zinc/82/92/28/570829228.db2.gz HUMNPPVRZURJQI-UHFFFAOYSA-N 1 2 387.892 3.955 50 0 GHAALO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000089662117 570908668 /nfs/dbraw/zinc/90/86/68/570908668.db2.gz LRGIYYNINPPMOC-HOTGVXAUSA-N 1 2 376.501 3.701 50 0 GHAALO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000089662117 570908671 /nfs/dbraw/zinc/90/86/71/570908671.db2.gz LRGIYYNINPPMOC-HOTGVXAUSA-N 1 2 376.501 3.701 50 0 GHAALO Cc1ccc(C(=O)CCC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1 ZINC000016103232 570913845 /nfs/dbraw/zinc/91/38/45/570913845.db2.gz ZJRJOXKUVWNBNP-UHFFFAOYSA-N 1 2 394.519 3.529 50 0 GHAALO O=C(c1cc(Br)ccc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000016602533 570914008 /nfs/dbraw/zinc/91/40/08/570914008.db2.gz ADEXNAOTVKIOJS-UHFFFAOYSA-N 1 2 383.673 3.654 50 0 GHAALO Cc1[nH+]c2ccccc2n1[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000090454708 570997196 /nfs/dbraw/zinc/99/71/96/570997196.db2.gz GTZWHTRCZMLDEQ-INIZCTEOSA-N 1 2 384.233 3.612 50 0 GHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000095502117 571076763 /nfs/dbraw/zinc/07/67/63/571076763.db2.gz KYUAUNHBWVUWDA-SFHVURJKSA-N 1 2 377.492 3.889 50 0 GHAALO O=C(c1cc(F)ccc1F)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095502480 571077198 /nfs/dbraw/zinc/07/71/98/571077198.db2.gz BDNZSEFGBWPMPT-OAHLLOKOSA-N 1 2 382.414 3.624 50 0 GHAALO O=C(CCc1cccs1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095504693 571077890 /nfs/dbraw/zinc/07/78/90/571077890.db2.gz MECDUWOJZVUANZ-SFHVURJKSA-N 1 2 380.517 3.727 50 0 GHAALO C[C@H](Sc1ccccn1)C(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000095504623 571077961 /nfs/dbraw/zinc/07/79/61/571077961.db2.gz CSYNCQZHYAEAST-INIZCTEOSA-N 1 2 384.549 3.965 50 0 GHAALO Cc1cc(C)c(CNC(=O)c2ccc(-c3cncc(C(C)(C)O)c3)cc2)c[nH+]1 ZINC000584895244 841187894 /nfs/dbraw/zinc/18/78/94/841187894.db2.gz RBJBKQDXXLRMAD-UHFFFAOYSA-N 1 2 375.472 3.918 50 0 GHAALO CCc1ccc2c(C[NH+]3CCN(c4ccc(C(C)=O)cc4)CC3)cc(=O)oc2c1 ZINC000057024567 861869652 /nfs/dbraw/zinc/86/96/52/861869652.db2.gz XOMIASKKDWFPFN-UHFFFAOYSA-N 1 2 390.483 3.880 50 0 GHAALO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3c(C)nn(C)c3Cl)C2)cc1F ZINC000012454471 862489609 /nfs/dbraw/zinc/48/96/09/862489609.db2.gz YTJUXVUKRLLBNO-CQSZACIVSA-N 1 2 379.863 3.625 50 0 GHAALO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3c(C)nn(C)c3Cl)C2)cc1F ZINC000012454471 862489618 /nfs/dbraw/zinc/48/96/18/862489618.db2.gz YTJUXVUKRLLBNO-CQSZACIVSA-N 1 2 379.863 3.625 50 0 GHAALO O=C(/C=C/c1ccccc1Cl)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000253402448 855031927 /nfs/dbraw/zinc/03/19/27/855031927.db2.gz OJBFMGLXGRRFJV-OZSKJFCKSA-N 1 2 376.909 3.853 50 0 GHAALO CCCC(=O)Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000822752076 862810367 /nfs/dbraw/zinc/81/03/67/862810367.db2.gz GYIJSCSZGRINQF-UHFFFAOYSA-N 1 2 378.432 3.872 50 0 GHAALO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[C@@H]2CCOc3ccccc32)CC1 ZINC000095406662 860568174 /nfs/dbraw/zinc/56/81/74/860568174.db2.gz OWEMCGSLUNAGMO-HKUYNNGSSA-N 1 2 382.479 3.987 50 0 GHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4O)C3)no2)cc1 ZINC000021724683 860925207 /nfs/dbraw/zinc/92/52/07/860925207.db2.gz IGHCICVRVDOZMP-QGZVFWFLSA-N 1 2 392.459 3.601 50 0 GHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4O)C3)no2)cc1 ZINC000021724683 860925218 /nfs/dbraw/zinc/92/52/18/860925218.db2.gz IGHCICVRVDOZMP-QGZVFWFLSA-N 1 2 392.459 3.601 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1C1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000575549236 866190148 /nfs/dbraw/zinc/19/01/48/866190148.db2.gz JKYGWGWGMUBBHZ-UHFFFAOYSA-N 1 2 394.450 3.635 50 0 GHAALO O=C(NC1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1)c1ccsc1 ZINC000155130670 881165419 /nfs/dbraw/zinc/16/54/19/881165419.db2.gz YOTWXYGGKMVAQE-UHFFFAOYSA-N 1 2 384.530 3.661 50 0 GHAALO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000098053649 916126876 /nfs/dbraw/zinc/12/68/76/916126876.db2.gz KFDSRYMGECQPKP-HANSRSFRSA-N 1 2 389.543 3.684 50 0 GHAALO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000097997202 1021160241 /nfs/dbraw/zinc/16/02/41/1021160241.db2.gz ZETRQNCQVQSOHP-QRGKHIHXSA-N 1 2 395.522 3.504 50 0 GHAALO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000097997202 1021160250 /nfs/dbraw/zinc/16/02/50/1021160250.db2.gz ZETRQNCQVQSOHP-QRGKHIHXSA-N 1 2 395.522 3.504 50 0 GHAALO CO[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(Cn4cc[nH+]c4)cc3)c2)C1 ZINC000426602461 231245377 /nfs/dbraw/zinc/24/53/77/231245377.db2.gz LAHFZXSXZXOBFY-JOCHJYFZSA-N 1 2 375.472 3.849 50 0 GHAALO CCc1[nH+]c2cc(NC(=O)N(C)[C@H](COC)c3ccccn3)ccc2n1CC ZINC000096140763 529748094 /nfs/dbraw/zinc/74/80/94/529748094.db2.gz VNBFEOJEJGDBRC-LJQANCHMSA-N 1 2 381.480 3.865 50 0 GHAALO CC[NH+]1CCN(C(=S)N[C@H](CC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000005161868 204116854 /nfs/dbraw/zinc/11/68/54/204116854.db2.gz WAJMOJWJQLIPDJ-HXUWFJFHSA-N 1 2 381.545 3.513 50 0 GHAALO COC(=O)C1CC[NH+](CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000006084274 204164062 /nfs/dbraw/zinc/16/40/62/204164062.db2.gz GUHLXRFTXBPCEZ-UHFFFAOYSA-N 1 2 384.501 3.661 50 0 GHAALO COCCN(Cc1[nH+]ccn1Cc1ccc(F)cc1)C(=O)c1ccc(C)cc1 ZINC000006689871 204192326 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Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000010037810 204329159 /nfs/dbraw/zinc/32/91/59/204329159.db2.gz HOGYEJOLLLQSDK-UHFFFAOYSA-N 1 2 387.487 3.636 50 0 GHAALO Cc1ccc2c(c1)C[N@@H+](CC(=O)N1CCCC[C@@H]1c1ccccn1)C[C@@H](C)O2 ZINC000011840802 204358033 /nfs/dbraw/zinc/35/80/33/204358033.db2.gz BVKZZJCLPLUMTC-WIYYLYMNSA-N 1 2 379.504 3.727 50 0 GHAALO Cc1ccc2c(c1)C[N@H+](CC(=O)N1CCCC[C@@H]1c1ccccn1)C[C@@H](C)O2 ZINC000011840802 204358038 /nfs/dbraw/zinc/35/80/38/204358038.db2.gz BVKZZJCLPLUMTC-WIYYLYMNSA-N 1 2 379.504 3.727 50 0 GHAALO CC(C)c1noc([C@H](C)[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)n1 ZINC000027822998 204862787 /nfs/dbraw/zinc/86/27/87/204862787.db2.gz GIRCSTFILSWDDM-AWEZNQCLSA-N 1 2 385.464 3.620 50 0 GHAALO CCC[C@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000040068861 205048813 /nfs/dbraw/zinc/04/88/13/205048813.db2.gz DGYBMUOJTWZMEI-QFIPXVFZSA-N 1 2 381.520 3.859 50 0 GHAALO Cc1cc(C)c(OCC(=O)NCc2ccc(F)c(Cn3cc[nH+]c3)c2)c(C)c1 ZINC000040122586 205055227 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COCc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)o1 ZINC000011817063 570295602 /nfs/dbraw/zinc/29/56/02/570295602.db2.gz CLDGPIPYOYDIHK-OAQYLSRUSA-N 1 2 394.475 3.605 50 0 GHAALO O=C(c1cccc(OC(F)(F)F)c1)N1CC([N@@H+]2CCc3sccc3C2)C1 ZINC000390827822 570359251 /nfs/dbraw/zinc/35/92/51/570359251.db2.gz KROWMJVQNUSZIE-UHFFFAOYSA-N 1 2 382.407 3.529 50 0 GHAALO O=C(c1cccc(OC(F)(F)F)c1)N1CC([N@H+]2CCc3sccc3C2)C1 ZINC000390827822 570359253 /nfs/dbraw/zinc/35/92/53/570359253.db2.gz KROWMJVQNUSZIE-UHFFFAOYSA-N 1 2 382.407 3.529 50 0 GHAALO O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023485536 570363797 /nfs/dbraw/zinc/36/37/97/570363797.db2.gz ODEBXMQLHLFFRR-MRXNPFEDSA-N 1 2 399.343 3.787 50 0 GHAALO COc1ccc2cc(C[N@H+](C)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)ccc2c1 ZINC000023760991 570371524 /nfs/dbraw/zinc/37/15/24/570371524.db2.gz HLCFZKOCNUDAGW-HJPURHCSSA-N 1 2 395.503 3.738 50 0 GHAALO COc1ccc2cc(C[N@@H+](C)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)ccc2c1 ZINC000023760991 570371526 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Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907172 570563595 /nfs/dbraw/zinc/56/35/95/570563595.db2.gz RMAZCXLYBWBLDQ-OAQYLSRUSA-N 1 2 396.512 3.666 50 0 GHAALO O=C(OCc1ccc(-n2cc[nH+]c2)nc1)c1cc2c(nc3sccn23)s1 ZINC000072314112 570653199 /nfs/dbraw/zinc/65/31/99/570653199.db2.gz LNUHPDQFORFLDA-UHFFFAOYSA-N 1 2 381.442 3.548 50 0 GHAALO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)c4ccccc4)C3)n2)cc1 ZINC000012471658 570672713 /nfs/dbraw/zinc/67/27/13/570672713.db2.gz ZUEMGURYEBXDJG-SFHVURJKSA-N 1 2 377.444 3.840 50 0 GHAALO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)c4ccccc4)C3)n2)cc1 ZINC000012471658 570672718 /nfs/dbraw/zinc/67/27/18/570672718.db2.gz ZUEMGURYEBXDJG-SFHVURJKSA-N 1 2 377.444 3.840 50 0 GHAALO CCOC(=O)[C@@H](CC)Sc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000004341672 570676640 /nfs/dbraw/zinc/67/66/40/570676640.db2.gz DWOTYDDODXZMGV-CQSZACIVSA-N 1 2 376.869 3.903 50 0 GHAALO COc1ccccc1N1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000055554754 570696553 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GHAALO COc1ccc(C)cc1CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000012550143 570851715 /nfs/dbraw/zinc/85/17/15/570851715.db2.gz YSAIWJCTQYMTKD-FQEVSTJZSA-N 1 2 383.879 3.839 50 0 GHAALO CN([C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)S(=O)(=O)c1cccs1 ZINC000012550632 570854517 /nfs/dbraw/zinc/85/45/17/570854517.db2.gz LJMDTUNDYSLQLM-OAHLLOKOSA-N 1 2 381.910 3.545 50 0 GHAALO C[N@@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)c2ccccc2C1 ZINC000170626482 570883834 /nfs/dbraw/zinc/88/38/34/570883834.db2.gz TYRPMFHEWIVUFO-UHFFFAOYSA-N 1 2 385.316 3.775 50 0 GHAALO C[N@H+]1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)c2ccccc2C1 ZINC000170626482 570883838 /nfs/dbraw/zinc/88/38/38/570883838.db2.gz TYRPMFHEWIVUFO-UHFFFAOYSA-N 1 2 385.316 3.775 50 0 GHAALO Cc1[nH+]c2ccccc2n1CC(=O)OCC(=O)Nc1cccc(Cl)c1Cl ZINC000012621924 570899484 /nfs/dbraw/zinc/89/94/84/570899484.db2.gz DTOGVTYYGFJBTJ-UHFFFAOYSA-N 1 2 392.242 3.833 50 0 GHAALO Cc1c(C(=O)N2CC[NH+](CCc3ccccn3)CC2)oc2cc(C)cc(C)c12 ZINC000015833194 570905898 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3.806 50 0 GHAALO Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000091445064 571008881 /nfs/dbraw/zinc/00/88/81/571008881.db2.gz NMYNPVJKZNRMPD-OAHLLOKOSA-N 1 2 384.443 3.728 50 0 GHAALO COc1cccc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 ZINC000007683545 571015624 /nfs/dbraw/zinc/01/56/24/571015624.db2.gz VWPINZQVSXRRCG-UHFFFAOYSA-N 1 2 388.467 3.997 50 0 GHAALO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 ZINC000007683545 571015629 /nfs/dbraw/zinc/01/56/29/571015629.db2.gz VWPINZQVSXRRCG-UHFFFAOYSA-N 1 2 388.467 3.997 50 0 GHAALO COc1ccccc1[C@H]1C[C@@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000109581841 571023371 /nfs/dbraw/zinc/02/33/71/571023371.db2.gz FGMUIGJKPMRWPK-UXHICEINSA-N 1 2 391.471 3.849 50 0 GHAALO CS(=O)(=O)NCCC[N@@H+](c1cccc(N2CCCC2)c1)C1CCCCCC1 ZINC000072289504 571047374 /nfs/dbraw/zinc/04/73/74/571047374.db2.gz PDUXSFMONSAION-UHFFFAOYSA-N 1 2 393.597 3.755 50 0 GHAALO CS(=O)(=O)NCCC[N@H+](c1cccc(N2CCCC2)c1)C1CCCCCC1 ZINC000072289504 571047375 /nfs/dbraw/zinc/04/73/75/571047375.db2.gz PDUXSFMONSAION-UHFFFAOYSA-N 1 2 393.597 3.755 50 0 GHAALO CCSc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCOC)C2)s1 ZINC000095525286 571090151 /nfs/dbraw/zinc/09/01/51/571090151.db2.gz QNSQALJMOAVLOO-CQSZACIVSA-N 1 2 379.551 3.723 50 0 GHAALO COc1ccccc1COC1CC[NH+](Cc2nc3oc(C)c(C)c3c(N)n2)CC1 ZINC000179760762 835970421 /nfs/dbraw/zinc/97/04/21/835970421.db2.gz APETUOPOPKPYNM-UHFFFAOYSA-N 1 2 396.491 3.612 50 0 GHAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3(CCOC)CCC3)c2C1 ZINC000177819037 837262255 /nfs/dbraw/zinc/26/22/55/837262255.db2.gz WYOYCCYJNPUJJM-UHFFFAOYSA-N 1 2 381.520 3.549 50 0 GHAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3(CCOC)CCC3)c2C1 ZINC000177819037 837262265 /nfs/dbraw/zinc/26/22/65/837262265.db2.gz WYOYCCYJNPUJJM-UHFFFAOYSA-N 1 2 381.520 3.549 50 0 GHAALO Cc1c(CNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)oc2ccccc12 ZINC000162430065 840940721 /nfs/dbraw/zinc/94/07/21/840940721.db2.gz QTUSGCQZRLJJLI-UHFFFAOYSA-N 1 2 380.448 3.603 50 0 GHAALO CC(C)c1cc(NC[C@H](c2ccc(Cl)cc2)n2cc[nH+]c2)n2ncnc2n1 ZINC000888094920 842474278 /nfs/dbraw/zinc/47/42/78/842474278.db2.gz HBOXEGLBEJYUOA-QGZVFWFLSA-N 1 2 381.871 3.799 50 0 GHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000056945250 861847205 /nfs/dbraw/zinc/84/72/05/861847205.db2.gz QFYVOGCTXLSWBA-NRFANRHFSA-N 1 2 393.462 3.712 50 0 GHAALO CCC(=O)Nc1c2ccccc2oc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020942400 860679801 /nfs/dbraw/zinc/67/98/01/860679801.db2.gz VOKYIBKPOBYQIB-UHFFFAOYSA-N 1 2 391.471 3.739 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1C1CN(C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000575548919 866189043 /nfs/dbraw/zinc/18/90/43/866189043.db2.gz IRMAKIMNYRRQAK-UHFFFAOYSA-N 1 2 390.443 3.719 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1CCC1CCN(C(=O)c2cnc(C)cn2)CC1 ZINC000581813656 870057316 /nfs/dbraw/zinc/05/73/16/870057316.db2.gz BOECVGMDNHEONJ-UHFFFAOYSA-N 1 2 389.503 3.899 50 0 GHAALO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)c1cc(C(C)C)oc1C)CC2 ZINC000512913506 904565315 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Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(C[N@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000005302825 204124528 /nfs/dbraw/zinc/12/45/28/204124528.db2.gz JESCEGBCQYUTEP-MHECFPHRSA-N 1 2 392.499 3.634 50 0 GHAALO Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(C[N@@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000005302825 204124532 /nfs/dbraw/zinc/12/45/32/204124532.db2.gz JESCEGBCQYUTEP-MHECFPHRSA-N 1 2 392.499 3.634 50 0 GHAALO Cc1nc(N2CCN(C(=O)CC(C)C)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000006776241 204203752 /nfs/dbraw/zinc/20/37/52/204203752.db2.gz KGGKDITWCMMNHN-UHFFFAOYSA-N 1 2 384.499 3.518 50 0 GHAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)C3CCC3)CC2)c1Cc1ccccc1F ZINC000006833019 204213966 /nfs/dbraw/zinc/21/39/66/204213966.db2.gz ZYEDZPAOSJTRRV-UHFFFAOYSA-N 1 2 396.510 3.526 50 0 GHAALO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)on1 ZINC000007684398 204245960 /nfs/dbraw/zinc/24/59/60/204245960.db2.gz XHYIQSGFBQQYLM-INIZCTEOSA-N 1 2 399.491 3.909 50 0 GHAALO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)on1 ZINC000007684398 204245963 /nfs/dbraw/zinc/24/59/63/204245963.db2.gz XHYIQSGFBQQYLM-INIZCTEOSA-N 1 2 399.491 3.909 50 0 GHAALO Cn1ncc2c1nc[nH+]c2SCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000008734456 204286775 /nfs/dbraw/zinc/28/67/75/204286775.db2.gz IAMKWGNONODNDG-UHFFFAOYSA-N 1 2 391.456 3.886 50 0 GHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000008163222 204263784 /nfs/dbraw/zinc/26/37/84/204263784.db2.gz BVBNTIHHQNZCKU-UHFFFAOYSA-N 1 2 385.471 3.838 50 0 GHAALO Cc1cc(C)cc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccccc3)CC2)c1 ZINC000009573692 204316754 /nfs/dbraw/zinc/31/67/54/204316754.db2.gz RPSVCQZAHQLVCL-UHFFFAOYSA-N 1 2 384.487 3.759 50 0 GHAALO O=C(CCCOc1cccc2ccccc21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000036392097 204322410 /nfs/dbraw/zinc/32/24/10/204322410.db2.gz QAUYMUZDFMTLKM-UHFFFAOYSA-N 1 2 389.499 3.738 50 0 GHAALO COC(=O)C1CC[NH+](Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000011714298 204350933 /nfs/dbraw/zinc/35/09/33/204350933.db2.gz WDRCROPVLKLOLL-UHFFFAOYSA-N 1 2 391.471 3.635 50 0 GHAALO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000028914989 204885153 /nfs/dbraw/zinc/88/51/53/204885153.db2.gz LCKIGDCZSGWXGK-KRWDZBQOSA-N 1 2 394.519 3.656 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)NCC1(c2ccccc2)CC1)c1ccccc1F ZINC000029725061 204893273 /nfs/dbraw/zinc/89/32/73/204893273.db2.gz GOLDULPZNIABBX-LJQANCHMSA-N 1 2 378.451 3.680 50 0 GHAALO C[N@@H+]1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)[C@H](c2ccccc2)C1 ZINC000030030419 204895109 /nfs/dbraw/zinc/89/51/09/204895109.db2.gz IQRRQUABLMHKBY-NRFANRHFSA-N 1 2 394.906 3.714 50 0 GHAALO C[N@H+]1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)[C@H](c2ccccc2)C1 ZINC000030030419 204895113 /nfs/dbraw/zinc/89/51/13/204895113.db2.gz IQRRQUABLMHKBY-NRFANRHFSA-N 1 2 394.906 3.714 50 0 GHAALO CC[C@H](C)N1C(=O)[C@@H](C(C)C)[NH2+]C12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000036019924 205002633 /nfs/dbraw/zinc/00/26/33/205002633.db2.gz KTWVFGHZVAPZLZ-MAUKXSAKSA-N 1 2 391.943 3.527 50 0 GHAALO Cc1ccc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000036311437 205011082 /nfs/dbraw/zinc/01/10/82/205011082.db2.gz CZSPFTAKSOVNJV-JOCHJYFZSA-N 1 2 397.563 3.827 50 0 GHAALO CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000042685475 205080721 /nfs/dbraw/zinc/08/07/21/205080721.db2.gz BUHYDVAXCFGDMN-LBPRGKRZSA-N 1 2 386.323 3.559 50 0 GHAALO CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000042685479 205080728 /nfs/dbraw/zinc/08/07/28/205080728.db2.gz BHCVYIWIZJNWQK-LBPRGKRZSA-N 1 2 386.323 3.559 50 0 GHAALO CCOC(=O)c1cn(CCNc2cc(C)cc[nH+]2)cc(Oc2ccccc2)c1=O ZINC000055252722 205145694 /nfs/dbraw/zinc/14/56/94/205145694.db2.gz HAPZUSQTTXHUCJ-UHFFFAOYSA-N 1 2 393.443 3.633 50 0 GHAALO Cc1cccn2cc(CNC(=O)CCC(=O)Nc3ccccc3C(C)(C)C)[nH+]c12 ZINC000055183421 205146186 /nfs/dbraw/zinc/14/61/86/205146186.db2.gz MCKLJHDWBARXNA-UHFFFAOYSA-N 1 2 392.503 3.975 50 0 GHAALO CCCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)NCc1nnc(-c2ccccc2)o1 ZINC000055393641 205148852 /nfs/dbraw/zinc/14/88/52/205148852.db2.gz ACTXXWNMSCMTRO-HNNXBMFYSA-N 1 2 389.459 3.916 50 0 GHAALO CCOC(=O)c1sc2[nH]c([C@H](C)[N@H+](C)Cc3ccc(C)cc3)nc(=O)c2c1C ZINC000057406510 205157395 /nfs/dbraw/zinc/15/73/95/205157395.db2.gz IHNUCJRHBUJGEU-AWEZNQCLSA-N 1 2 399.516 3.971 50 0 GHAALO CCOC(=O)c1sc2[nH]c([C@H](C)[N@@H+](C)Cc3ccc(C)cc3)nc(=O)c2c1C ZINC000057406510 205157400 /nfs/dbraw/zinc/15/74/00/205157400.db2.gz IHNUCJRHBUJGEU-AWEZNQCLSA-N 1 2 399.516 3.971 50 0 GHAALO O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000050489779 205131501 /nfs/dbraw/zinc/13/15/01/205131501.db2.gz PFPKRFHIUHYJPV-UHFFFAOYSA-N 1 2 375.384 3.811 50 0 GHAALO O=C(Nc1cccc(C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)c1)C1CC1 ZINC000057825439 205161779 /nfs/dbraw/zinc/16/17/79/205161779.db2.gz YLCDLMXBGCRZRM-JOCHJYFZSA-N 1 2 391.515 3.879 50 0 GHAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)N[C@@H]1CCCc2ccccc21 ZINC000058176584 205167783 /nfs/dbraw/zinc/16/77/83/205167783.db2.gz HOAZGSKDGWAKNZ-GHTZIAJQSA-N 1 2 384.545 3.923 50 0 GHAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)N[C@@H]1CCCc2ccccc21 ZINC000058176584 205167787 /nfs/dbraw/zinc/16/77/87/205167787.db2.gz HOAZGSKDGWAKNZ-GHTZIAJQSA-N 1 2 384.545 3.923 50 0 GHAALO Cc1ccc(C)c(OCCC(=O)Nc2ccn(Cc3cn4ccccc4[nH+]3)n2)c1 ZINC000058202026 205169358 /nfs/dbraw/zinc/16/93/58/205169358.db2.gz SMWPAEQMKKXPCS-UHFFFAOYSA-N 1 2 389.459 3.604 50 0 GHAALO Cc1cc(C)cc(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)c1 ZINC000065034911 205208649 /nfs/dbraw/zinc/20/86/49/205208649.db2.gz RIYIIAXJMOUGOI-UHFFFAOYSA-N 1 2 389.499 3.759 50 0 GHAALO Cc1cc(C)cc(NC(=O)C[N@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)c1 ZINC000065034911 205208652 /nfs/dbraw/zinc/20/86/52/205208652.db2.gz RIYIIAXJMOUGOI-UHFFFAOYSA-N 1 2 389.499 3.759 50 0 GHAALO c1cc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccncc3)no2)n(-c2nccs2)c1 ZINC000065375438 205232643 /nfs/dbraw/zinc/23/26/43/205232643.db2.gz MPDDNBGZOBSSDE-MRXNPFEDSA-N 1 2 378.461 3.716 50 0 GHAALO c1cc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccncc3)no2)n(-c2nccs2)c1 ZINC000065375438 205232648 /nfs/dbraw/zinc/23/26/48/205232648.db2.gz MPDDNBGZOBSSDE-MRXNPFEDSA-N 1 2 378.461 3.716 50 0 GHAALO CCc1cc2oc(=O)cc(CSc3[nH+]cnc4c3cnn4C)c2cc1Cl ZINC000065521082 205236550 /nfs/dbraw/zinc/23/65/50/205236550.db2.gz CMYGQYZFTISUCB-UHFFFAOYSA-N 1 2 386.864 3.978 50 0 GHAALO Cc1nnc(C[N@H+]2CC=C(c3cnn(-c4nccc5ccccc54)c3)CC2)s1 ZINC000067740862 205258676 /nfs/dbraw/zinc/25/86/76/205258676.db2.gz ZEYUXSOSZDSWMS-UHFFFAOYSA-N 1 2 388.500 3.870 50 0 GHAALO Cc1nnc(C[N@@H+]2CC=C(c3cnn(-c4nccc5ccccc54)c3)CC2)s1 ZINC000067740862 205258680 /nfs/dbraw/zinc/25/86/80/205258680.db2.gz ZEYUXSOSZDSWMS-UHFFFAOYSA-N 1 2 388.500 3.870 50 0 GHAALO COc1ccc2cc([C@H]3C[N@H+](Cc4ccc(N(C)C)nc4)CCO3)ccc2c1 ZINC000071749238 205288937 /nfs/dbraw/zinc/28/89/37/205288937.db2.gz XHWVCYWOXOISKF-JOCHJYFZSA-N 1 2 377.488 3.883 50 0 GHAALO COc1ccc2cc([C@H]3C[N@@H+](Cc4ccc(N(C)C)nc4)CCO3)ccc2c1 ZINC000071749238 205288942 /nfs/dbraw/zinc/28/89/42/205288942.db2.gz XHWVCYWOXOISKF-JOCHJYFZSA-N 1 2 377.488 3.883 50 0 GHAALO CCc1c[nH+]c(C)nc1N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000072146154 205310262 /nfs/dbraw/zinc/31/02/62/205310262.db2.gz SZGRZQTUBJSUNX-HNNXBMFYSA-N 1 2 378.398 3.579 50 0 GHAALO CSc1cccc(C[N@H+](C)Cc2cc3n(n2)CCN(Cc2ccco2)C3)c1 ZINC000072166212 205315362 /nfs/dbraw/zinc/31/53/62/205315362.db2.gz IFEUQOZCQAACQG-UHFFFAOYSA-N 1 2 382.533 3.846 50 0 GHAALO CSc1cccc(C[N@@H+](C)Cc2cc3n(n2)CCN(Cc2ccco2)C3)c1 ZINC000072166212 205315366 /nfs/dbraw/zinc/31/53/66/205315366.db2.gz IFEUQOZCQAACQG-UHFFFAOYSA-N 1 2 382.533 3.846 50 0 GHAALO COc1ccc2cc(C[N@@H+]3CCNC(=O)[C@@H]3C)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072417784 205347128 /nfs/dbraw/zinc/34/71/28/205347128.db2.gz KFUUQIMFNNAXEF-AWEZNQCLSA-N 1 2 395.890 3.884 50 0 GHAALO COc1ccc2cc(C[N@H+]3CCNC(=O)[C@@H]3C)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072417784 205347130 /nfs/dbraw/zinc/34/71/30/205347130.db2.gz KFUUQIMFNNAXEF-AWEZNQCLSA-N 1 2 395.890 3.884 50 0 GHAALO COc1ccc(OC)c2nc(-c3cccc(Cl)c3)c(C[NH+]3CC(O)C3)cc12 ZINC000072425567 205349414 /nfs/dbraw/zinc/34/94/14/205349414.db2.gz XMQRNKMPEOCEAY-UHFFFAOYSA-N 1 2 384.863 3.749 50 0 GHAALO O=S(=O)(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1C(F)(F)F ZINC000060066244 206102937 /nfs/dbraw/zinc/10/29/37/206102937.db2.gz YMEDIRVCMZVGGU-UHFFFAOYSA-N 1 2 399.369 3.509 50 0 GHAALO C[C@@H](C(=O)N[C@H]1CCCc2ccccc21)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000058163281 136154734 /nfs/dbraw/zinc/15/47/34/136154734.db2.gz WMLJSUHXGNJSKG-JTSKRJEESA-N 1 2 381.495 3.530 50 0 GHAALO C[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000058163279 136154746 /nfs/dbraw/zinc/15/47/46/136154746.db2.gz WMLJSUHXGNJSKG-HTAPYJJXSA-N 1 2 381.495 3.530 50 0 GHAALO COc1ccccc1N1CC[NH+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000058380247 136155388 /nfs/dbraw/zinc/15/53/88/136155388.db2.gz RBZVMDSNUOTCTO-GOSISDBHSA-N 1 2 380.410 3.570 50 0 GHAALO Cc1nc(-c2cccc(F)c2)sc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000061720380 136156038 /nfs/dbraw/zinc/15/60/38/136156038.db2.gz GYDYPAMAPIKZAY-UHFFFAOYSA-N 1 2 382.464 3.615 50 0 GHAALO CCc1[nH]c2ccc(NC(=O)N3CCN(c4ccc(Cl)cn4)CC3)cc2[nH+]1 ZINC000097259220 136188408 /nfs/dbraw/zinc/18/84/08/136188408.db2.gz DTIFNILCYKSCTG-UHFFFAOYSA-N 1 2 384.871 3.528 50 0 GHAALO O=C(c1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1)N1CCCC[C@H]1CO ZINC000426651372 534678171 /nfs/dbraw/zinc/67/81/71/534678171.db2.gz QUMXLSBGRWJSIK-QFIPXVFZSA-N 1 2 375.472 3.585 50 0 GHAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000025176521 527348672 /nfs/dbraw/zinc/34/86/72/527348672.db2.gz KIHHVILOHAILNH-UHFFFAOYSA-N 1 2 383.455 3.858 50 0 GHAALO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)n(C2CCCC2)n1 ZINC000096164170 570217915 /nfs/dbraw/zinc/21/79/15/570217915.db2.gz KNAWCLQPYJTBEV-UHFFFAOYSA-N 1 2 385.487 3.795 50 0 GHAALO CC(C)c1[nH+]c2ccccc2n1CC(=O)N1CCC([C@H](O)c2ccccn2)CC1 ZINC000019795096 570219786 /nfs/dbraw/zinc/21/97/86/570219786.db2.gz OGNAIYFDCNJNFP-QFIPXVFZSA-N 1 2 392.503 3.527 50 0 GHAALO S=C(Nc1cccc(Cl)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019800192 570220338 /nfs/dbraw/zinc/22/03/38/570220338.db2.gz JQHVSXBFSCWNED-UHFFFAOYSA-N 1 2 389.908 3.583 50 0 GHAALO COc1ccc(C[N@@H+]2CCN(Cc3cc4ccccc4o3)C[C@@H]2CCO)cc1C ZINC000019837566 570224176 /nfs/dbraw/zinc/22/41/76/570224176.db2.gz OXSAXGFIKJIDAD-NRFANRHFSA-N 1 2 394.515 3.819 50 0 GHAALO COc1ccc(C[N@H+]2CCN(Cc3cc4ccccc4o3)C[C@@H]2CCO)cc1C ZINC000019837566 570224180 /nfs/dbraw/zinc/22/41/80/570224180.db2.gz OXSAXGFIKJIDAD-NRFANRHFSA-N 1 2 394.515 3.819 50 0 GHAALO COc1cccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000019841829 570224599 /nfs/dbraw/zinc/22/45/99/570224599.db2.gz OWBAGEURYPKTLQ-UHFFFAOYSA-N 1 2 378.394 3.672 50 0 GHAALO Clc1cccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccccc3)CC2)c1 ZINC000000834885 570226196 /nfs/dbraw/zinc/22/61/96/570226196.db2.gz OLZULHMAKYNBAB-UHFFFAOYSA-N 1 2 390.878 3.796 50 0 GHAALO c1coc([C@H]2NC3=[NH+]CN(C4CCCCC4)CN3c3nc4ccccc4n32)c1 ZINC000020101815 570239348 /nfs/dbraw/zinc/23/93/48/570239348.db2.gz WVSMWZYYFASERA-IBGZPJMESA-N 1 2 376.464 3.505 50 0 GHAALO Fc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4cc(F)cc(F)c4)C3)CC2)cc1 ZINC000020294213 570251718 /nfs/dbraw/zinc/25/17/18/570251718.db2.gz WWGDPTQUQMECML-QFIPXVFZSA-N 1 2 389.465 3.891 50 0 GHAALO Fc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4cc(F)cc(F)c4)C3)CC2)cc1 ZINC000020294213 570251723 /nfs/dbraw/zinc/25/17/23/570251723.db2.gz WWGDPTQUQMECML-QFIPXVFZSA-N 1 2 389.465 3.891 50 0 GHAALO CCCCCn1c2ccccc2n(C[C@H](O)COc2ccccc2OC)c1=[NH2+] ZINC000020292973 570251846 /nfs/dbraw/zinc/25/18/46/570251846.db2.gz WOFILWXIKKUJDP-KRWDZBQOSA-N 1 2 383.492 3.561 50 0 GHAALO Cc1nn2c(nc(C(C)C)cc2NCC[NH+]2CCOCC2)c1-c1ccccc1 ZINC000020519359 570265513 /nfs/dbraw/zinc/26/55/13/570265513.db2.gz NWESJEREGXEVHB-UHFFFAOYSA-N 1 2 379.508 3.572 50 0 GHAALO Clc1cccc(-n2ncc3c2nc[nH+]c3NCc2ccc3c(c2)OCO3)c1 ZINC000020662084 570274365 /nfs/dbraw/zinc/27/43/65/570274365.db2.gz CRVCKASUKLSSAU-UHFFFAOYSA-N 1 2 379.807 3.810 50 0 GHAALO O=C(NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000015882560 570283927 /nfs/dbraw/zinc/28/39/27/570283927.db2.gz IBHAIIDBDWOKFZ-QFIPXVFZSA-N 1 2 375.447 3.750 50 0 GHAALO O=C(NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000015882560 570283929 /nfs/dbraw/zinc/28/39/29/570283929.db2.gz IBHAIIDBDWOKFZ-QFIPXVFZSA-N 1 2 375.447 3.750 50 0 GHAALO O=C(NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)c1c(F)cccc1F ZINC000015882554 570283985 /nfs/dbraw/zinc/28/39/85/570283985.db2.gz KNUJKQQRGQTFGJ-NRFANRHFSA-N 1 2 393.437 3.889 50 0 GHAALO O=C(NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)c1c(F)cccc1F ZINC000015882554 570283987 /nfs/dbraw/zinc/28/39/87/570283987.db2.gz KNUJKQQRGQTFGJ-NRFANRHFSA-N 1 2 393.437 3.889 50 0 GHAALO Clc1ccc(-c2ncc(CN3CC[NH+](Cc4cccnc4)CC3)cn2)cc1 ZINC000216258222 570298036 /nfs/dbraw/zinc/29/80/36/570298036.db2.gz FXIRTMKMNJOSBG-UHFFFAOYSA-N 1 2 379.895 3.510 50 0 GHAALO Clc1ccc(-c2ncc(C[NH+]3CCN(Cc4cccnc4)CC3)cn2)cc1 ZINC000216258222 570298038 /nfs/dbraw/zinc/29/80/38/570298038.db2.gz FXIRTMKMNJOSBG-UHFFFAOYSA-N 1 2 379.895 3.510 50 0 GHAALO COc1ccc(NC(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000035404244 570351153 /nfs/dbraw/zinc/35/11/53/570351153.db2.gz DOEIMRNDBHEDNR-UHFFFAOYSA-N 1 2 388.471 3.609 50 0 GHAALO COc1ccc(NC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000035404244 570351156 /nfs/dbraw/zinc/35/11/56/570351156.db2.gz DOEIMRNDBHEDNR-UHFFFAOYSA-N 1 2 388.471 3.609 50 0 GHAALO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc2c(cccc2F)s1 ZINC000023762045 570371938 /nfs/dbraw/zinc/37/19/38/570371938.db2.gz ORFHAGFCSAKBBU-UHFFFAOYSA-N 1 2 376.497 3.805 50 0 GHAALO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000023761891 570371945 /nfs/dbraw/zinc/37/19/45/570371945.db2.gz QGJXJXQCLPMZSU-BEFAXECRSA-N 1 2 392.421 3.897 50 0 GHAALO COc1ccc([C@H](NC(=O)Cc2ccc3c(c2)CCCC3)c2[nH+]ccn2C)cc1 ZINC000024025656 570377335 /nfs/dbraw/zinc/37/73/35/570377335.db2.gz QBJFZJOWZDXFQV-QHCPKHFHSA-N 1 2 389.499 3.756 50 0 GHAALO COC(=O)c1ccc(C[NH+]2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000024834252 570395286 /nfs/dbraw/zinc/39/52/86/570395286.db2.gz IPIJNECRJBEFEP-UHFFFAOYSA-N 1 2 388.467 3.584 50 0 GHAALO O=C(NCCc1cn2ccccc2[nH+]1)C1(c2ccc(Br)cc2)CCC1 ZINC000026747751 570428325 /nfs/dbraw/zinc/42/83/25/570428325.db2.gz VBTIVGWOXNYUKK-UHFFFAOYSA-N 1 2 398.304 3.877 50 0 GHAALO CCCCCC(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2)CC1 ZINC000035769091 570444181 /nfs/dbraw/zinc/44/41/81/570444181.db2.gz CXDBUZIKHYHYQS-UHFFFAOYSA-N 1 2 380.536 3.913 50 0 GHAALO Cc1ccc(Oc2ccc(NC(=O)C[N@H+](CCO)Cc3cccnc3)cc2)cc1 ZINC000129886178 570463367 /nfs/dbraw/zinc/46/33/67/570463367.db2.gz ABNIOVWUPGLEBG-UHFFFAOYSA-N 1 2 391.471 3.615 50 0 GHAALO Cc1ccc(Oc2ccc(NC(=O)C[N@@H+](CCO)Cc3cccnc3)cc2)cc1 ZINC000129886178 570463371 /nfs/dbraw/zinc/46/33/71/570463371.db2.gz ABNIOVWUPGLEBG-UHFFFAOYSA-N 1 2 391.471 3.615 50 0 GHAALO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@H](C(=O)c2cccc3ccccc32)C1 ZINC000012446291 570666733 /nfs/dbraw/zinc/66/67/33/570666733.db2.gz NUNMABSCYRGOJH-QGZVFWFLSA-N 1 2 391.471 3.835 50 0 GHAALO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@H](C(=O)c2cccc3ccccc32)C1 ZINC000012446291 570666737 /nfs/dbraw/zinc/66/67/37/570666737.db2.gz NUNMABSCYRGOJH-QGZVFWFLSA-N 1 2 391.471 3.835 50 0 GHAALO COc1cccc(N2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000055196886 570686804 /nfs/dbraw/zinc/68/68/04/570686804.db2.gz ZYUAMIZXBIFFEJ-UHFFFAOYSA-N 1 2 384.867 3.721 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000012629349 570692477 /nfs/dbraw/zinc/69/24/77/570692477.db2.gz GVCWRYMAZIHZPI-GOSISDBHSA-N 1 2 389.377 3.724 50 0 GHAALO c1ccc(-c2nnn(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)n2)cc1 ZINC000012799187 570717155 /nfs/dbraw/zinc/71/71/55/570717155.db2.gz PPWPHKWUGRBZTQ-MRXNPFEDSA-N 1 2 376.489 3.787 50 0 GHAALO c1ccc(-c2nnn(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)n2)cc1 ZINC000012799187 570717158 /nfs/dbraw/zinc/71/71/58/570717158.db2.gz PPWPHKWUGRBZTQ-MRXNPFEDSA-N 1 2 376.489 3.787 50 0 GHAALO Clc1ccc(-c2cc(C[NH+]3CCN(c4ncccn4)CC3)on2)c(Cl)c1 ZINC000012981128 570735971 /nfs/dbraw/zinc/73/59/71/570735971.db2.gz BGWFGYSADUDOTO-UHFFFAOYSA-N 1 2 390.274 3.761 50 0 GHAALO CC(C)(C)N=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)CC1CCCC1)C2 ZINC000065265980 570769339 /nfs/dbraw/zinc/76/93/39/570769339.db2.gz OFDWAJGNKYOMQB-QHCPKHFHSA-N 1 2 382.552 3.759 50 0 GHAALO CC(C)(CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)[NH+]1CCOCC1 ZINC000022202952 570801502 /nfs/dbraw/zinc/80/15/02/570801502.db2.gz DGUCTWNMBCCVAY-UHFFFAOYSA-N 1 2 396.409 3.806 50 0 GHAALO O=C(NCCc1ccccc1Cl)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000033071936 570803764 /nfs/dbraw/zinc/80/37/64/570803764.db2.gz ZIUBPMRLWYVFSM-MRXNPFEDSA-N 1 2 382.895 3.792 50 0 GHAALO COc1cc(C)c(C[NH+]2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1OC ZINC000012517187 570826151 /nfs/dbraw/zinc/82/61/51/570826151.db2.gz POFFXBCHAQWGIP-UHFFFAOYSA-N 1 2 386.467 3.676 50 0 GHAALO Cc1ccc(C)c(NC(=O)[C@H](C)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000015033094 570873075 /nfs/dbraw/zinc/87/30/75/570873075.db2.gz GEEJPAYWJZCDGT-IBGZPJMESA-N 1 2 395.551 3.674 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(Br)c1)c1cccc(F)c1 ZINC000012604329 570887763 /nfs/dbraw/zinc/88/77/63/570887763.db2.gz DEURJKMMPSSFNZ-MRXNPFEDSA-N 1 2 388.240 3.841 50 0 GHAALO Cc1cccc(CC(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCOCC2)c1 ZINC000023106470 570905360 /nfs/dbraw/zinc/90/53/60/570905360.db2.gz PVQKKCFPEGJROS-XMMPIXPASA-N 1 2 388.511 3.880 50 0 GHAALO Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000015859915 570906876 /nfs/dbraw/zinc/90/68/76/570906876.db2.gz QGNNQBBLBVJREI-SFHVURJKSA-N 1 2 394.471 3.960 50 0 GHAALO FC(F)(F)c1cnc(N2CC[NH+](Cn3cnc4ccccc43)CC2)c(Cl)c1 ZINC000016350450 570922854 /nfs/dbraw/zinc/92/28/54/570922854.db2.gz XGMFFZNSZGTJSZ-UHFFFAOYSA-N 1 2 395.816 3.883 50 0 GHAALO COc1c(C)c[nH+]c(CSc2nnc([C@@H]3COc4ccccc4O3)o2)c1C ZINC000170632875 570925458 /nfs/dbraw/zinc/92/54/58/570925458.db2.gz VTLYWEIEXKDAJJ-INIZCTEOSA-N 1 2 385.445 3.895 50 0 GHAALO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000046961442 570937498 /nfs/dbraw/zinc/93/74/98/570937498.db2.gz DDEXHYXVNGVUJC-IBGZPJMESA-N 1 2 382.508 3.524 50 0 GHAALO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012790681 570948018 /nfs/dbraw/zinc/94/80/18/570948018.db2.gz YJEOTNNCCNPLTQ-LSDHHAIUSA-N 1 2 387.430 3.643 50 0 GHAALO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012790681 570948019 /nfs/dbraw/zinc/94/80/19/570948019.db2.gz YJEOTNNCCNPLTQ-LSDHHAIUSA-N 1 2 387.430 3.643 50 0 GHAALO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1F)c1nc(-c2ccncc2)no1 ZINC000019112448 570956716 /nfs/dbraw/zinc/95/67/16/570956716.db2.gz CBNDLCBAEXFLJN-NSHDSACASA-N 1 2 382.374 3.651 50 0 GHAALO Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)o2)c1 ZINC000034684756 570986715 /nfs/dbraw/zinc/98/67/15/570986715.db2.gz AHOVDLVGODAKNI-UHFFFAOYSA-N 1 2 389.499 3.840 50 0 GHAALO O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1C[NH+]1CCCCC1 ZINC000019607809 571021683 /nfs/dbraw/zinc/02/16/83/571021683.db2.gz LMZWOFXLNSVSBG-GXDHUFHOSA-N 1 2 381.295 3.929 50 0 GHAALO CCn1c(C)cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)c1C ZINC000095506833 571079381 /nfs/dbraw/zinc/07/93/81/571079381.db2.gz JSDDBCQFLOJZRX-HXUWFJFHSA-N 1 2 391.519 3.784 50 0 GHAALO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CCC(c3[nH]cc[nH+]3)CC1)O2 ZINC000095512591 571083032 /nfs/dbraw/zinc/08/30/32/571083032.db2.gz ORWZBFBLOLKRNM-QFIPXVFZSA-N 1 2 383.492 3.530 50 0 GHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c(C)cc(C)n(CC)c2=O)C1 ZINC000095518145 571084987 /nfs/dbraw/zinc/08/49/87/571084987.db2.gz BZXKRIATKIAEJL-GOSISDBHSA-N 1 2 384.524 3.501 50 0 GHAALO Cc1cc(N2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)[nH+]c2ccccc12 ZINC000095518503 571085435 /nfs/dbraw/zinc/08/54/35/571085435.db2.gz LAWDQNGIJAWQPH-DOTOQJQBSA-N 1 2 378.501 3.627 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1CC1CCN(C(=O)NCc2ccccc2)CC1 ZINC000581807888 837683764 /nfs/dbraw/zinc/68/37/64/837683764.db2.gz GTIADZLDTUUIMO-UHFFFAOYSA-N 1 2 389.503 3.875 50 0 GHAALO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000119170705 837209226 /nfs/dbraw/zinc/20/92/26/837209226.db2.gz OHHLTQYWGYDBKW-LBPRGKRZSA-N 1 2 380.901 3.824 50 0 GHAALO Cn1c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc2cc(C(F)(F)F)ccc21 ZINC000177775342 839705080 /nfs/dbraw/zinc/70/50/80/839705080.db2.gz JLIWVEYBQPVTDZ-OAHLLOKOSA-N 1 2 376.382 3.698 50 0 GHAALO CC(C)(C)CC(=O)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000056945607 861846829 /nfs/dbraw/zinc/84/68/29/861846829.db2.gz DJMDMZINMOGOLQ-IBGZPJMESA-N 1 2 387.499 3.834 50 0 GHAALO O=C(NCc1ccc(Cl)cc1)NC[C@H](c1ccoc1)[NH+]1CCSCC1 ZINC000253396166 855012845 /nfs/dbraw/zinc/01/28/45/855012845.db2.gz DFLPIWJYADWVTG-QGZVFWFLSA-N 1 2 379.913 3.522 50 0 GHAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000040024076 856633366 /nfs/dbraw/zinc/63/33/66/856633366.db2.gz AQIHVWQIRDCWIY-UHFFFAOYSA-N 1 2 386.358 3.575 50 0 GHAALO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)C1 ZINC000040034529 856637394 /nfs/dbraw/zinc/63/73/94/856637394.db2.gz IXUKJZNNQGFFBF-ZIAGYGMSSA-N 1 2 397.500 3.980 50 0 GHAALO O=C(CCSc1ccccc1)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000244975249 856704392 /nfs/dbraw/zinc/70/43/92/856704392.db2.gz IIAIAXQRPTWVGX-QGZVFWFLSA-N 1 2 376.547 3.668 50 0 GHAALO COc1ccccc1NC(=O)N1CCC[N@H+](Cc2nc3cc(C)ccc3o2)CC1 ZINC000021155698 859968957 /nfs/dbraw/zinc/96/89/57/859968957.db2.gz PRHQWJMCJSFCAK-UHFFFAOYSA-N 1 2 394.475 3.885 50 0 GHAALO COc1ccccc1NC(=O)N1CCC[N@@H+](Cc2nc3cc(C)ccc3o2)CC1 ZINC000021155698 859968961 /nfs/dbraw/zinc/96/89/61/859968961.db2.gz PRHQWJMCJSFCAK-UHFFFAOYSA-N 1 2 394.475 3.885 50 0 GHAALO CCOC(=O)N1CC[NH+]([C@@H](c2c(C)[nH]c3ccccc32)c2ccncc2)CC1 ZINC000020192860 860513698 /nfs/dbraw/zinc/51/36/98/860513698.db2.gz BNGMVERCLCNOFB-OAQYLSRUSA-N 1 2 378.476 3.735 50 0 GHAALO O=C(/C=C\c1ccc(Br)s1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000096401487 860921767 /nfs/dbraw/zinc/92/17/67/860921767.db2.gz CFORJEGQKQZGKT-XQRVVYSFSA-N 1 2 392.322 3.835 50 0 GHAALO CCN1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)Nc2cccc(C)c2)CC1 ZINC000022460672 861128147 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O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)[C@H]1CCCN(c2ncccn2)C1 ZINC000050490903 570340943 /nfs/dbraw/zinc/34/09/43/570340943.db2.gz WYJWCVRHLXZWLY-INIZCTEOSA-N 1 2 375.432 3.519 50 0 GHAALO COc1cc(SC)c(OC)cc1C[N@@H+]1CCC[C@@H]1c1ccc(C(N)=O)s1 ZINC000023231476 570351155 /nfs/dbraw/zinc/35/11/55/570351155.db2.gz PQMVCWXVLRRQSZ-CYBMUJFWSA-N 1 2 392.546 3.923 50 0 GHAALO COc1cc(SC)c(OC)cc1C[N@H+]1CCC[C@@H]1c1ccc(C(N)=O)s1 ZINC000023231476 570351158 /nfs/dbraw/zinc/35/11/58/570351158.db2.gz PQMVCWXVLRRQSZ-CYBMUJFWSA-N 1 2 392.546 3.923 50 0 GHAALO CCOc1ccccc1CN1CC[N@H+](Cc2ccccc2Cl)C[C@@H]1CCO ZINC000023358594 570356417 /nfs/dbraw/zinc/35/64/17/570356417.db2.gz RGKUPESGRBGOFC-FQEVSTJZSA-N 1 2 388.939 3.808 50 0 GHAALO CCOc1ccccc1CN1CC[N@@H+](Cc2ccccc2Cl)C[C@@H]1CCO ZINC000023358594 570356418 /nfs/dbraw/zinc/35/64/18/570356418.db2.gz RGKUPESGRBGOFC-FQEVSTJZSA-N 1 2 388.939 3.808 50 0 GHAALO Cc1ccc(C(=O)CCC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cc1 ZINC000023779078 570372448 /nfs/dbraw/zinc/37/24/48/570372448.db2.gz QYWUMCXNQVMAAE-NRFANRHFSA-N 1 2 379.435 3.736 50 0 GHAALO COc1ccc2cc([C@@H](C)C(=O)N3CC[NH+](Cc4ccncc4)CC3)ccc2c1 ZINC000023846584 570373801 /nfs/dbraw/zinc/37/38/01/570373801.db2.gz LMIYKHCAVULSCR-GOSISDBHSA-N 1 2 389.499 3.691 50 0 GHAALO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000023882741 570374786 /nfs/dbraw/zinc/37/47/86/570374786.db2.gz KOYAWTBWSIAVJW-UHFFFAOYSA-N 1 2 395.440 3.605 50 0 GHAALO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000023882741 570374787 /nfs/dbraw/zinc/37/47/87/570374787.db2.gz KOYAWTBWSIAVJW-UHFFFAOYSA-N 1 2 395.440 3.605 50 0 GHAALO Cc1[nH]c2ccccc2c1CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000024635711 570388382 /nfs/dbraw/zinc/38/83/82/570388382.db2.gz NQJAIWDERCBOBG-UHFFFAOYSA-N 1 2 391.519 3.589 50 0 GHAALO CCc1nn2c(nc(C[N@H+](C)Cc3cccc(Cl)c3Cl)cc2=O)s1 ZINC000024816477 570394045 /nfs/dbraw/zinc/39/40/45/570394045.db2.gz IKPFLVRZNWHCQL-UHFFFAOYSA-N 1 2 383.304 3.652 50 0 GHAALO CCc1nn2c(nc(C[N@@H+](C)Cc3cccc(Cl)c3Cl)cc2=O)s1 ZINC000024816477 570394048 /nfs/dbraw/zinc/39/40/48/570394048.db2.gz IKPFLVRZNWHCQL-UHFFFAOYSA-N 1 2 383.304 3.652 50 0 GHAALO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000013010582 570416546 /nfs/dbraw/zinc/41/65/46/570416546.db2.gz JDDXWMJESCEDCY-QGZVFWFLSA-N 1 2 388.489 3.709 50 0 GHAALO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000013010582 570416551 /nfs/dbraw/zinc/41/65/51/570416551.db2.gz JDDXWMJESCEDCY-QGZVFWFLSA-N 1 2 388.489 3.709 50 0 GHAALO Cc1ccc(NC(=O)CSc2ccc(CC[NH+]3CCOCC3)o2)cc1Cl ZINC000027753215 570442048 /nfs/dbraw/zinc/44/20/48/570442048.db2.gz VGWWLLOSFUJRER-UHFFFAOYSA-N 1 2 394.924 3.847 50 0 GHAALO CCn1cc[nH+]c1-c1cccc(NC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)c1 ZINC000130483087 570463820 /nfs/dbraw/zinc/46/38/20/570463820.db2.gz CEYNLLQDMOJWBF-UHFFFAOYSA-N 1 2 397.500 3.843 50 0 GHAALO O=C(NCc1ccccc1)c1ccccc1OCc1ccc(-n2cc[nH+]c2)nc1 ZINC000079020937 570510597 /nfs/dbraw/zinc/51/05/97/570510597.db2.gz SVCJPGZRMVKDAW-UHFFFAOYSA-N 1 2 384.439 3.776 50 0 GHAALO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)c(OC)c3)[C@@H](C)C(=O)[C@@H]2C)cc1OC ZINC000015658875 570532781 /nfs/dbraw/zinc/53/27/81/570532781.db2.gz VOOAAKGQPAZLIF-SRLQQUAWSA-N 1 2 399.487 3.948 50 0 GHAALO COc1ccc(C)cc1C[NH+]1CCN([C@@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000022924375 570576611 /nfs/dbraw/zinc/57/66/11/570576611.db2.gz XXEWNNXMIWYSBC-FQEVSTJZSA-N 1 2 395.547 3.765 50 0 GHAALO CCCCCCn1c(O)c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=S ZINC000017198153 570701959 /nfs/dbraw/zinc/70/19/59/570701959.db2.gz IIELFSNHXNFQIU-SFHVURJKSA-N 1 2 398.532 3.908 50 0 biogenic GHAALO CCCCCCn1c(=O)c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(O)[nH]c1=S ZINC000017198153 570701962 /nfs/dbraw/zinc/70/19/62/570701962.db2.gz IIELFSNHXNFQIU-SFHVURJKSA-N 1 2 398.532 3.908 50 0 biogenic GHAALO CCCCCCOc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000032623999 570708606 /nfs/dbraw/zinc/70/86/06/570708606.db2.gz KAGBOAJHCJCNAM-UHFFFAOYSA-N 1 2 381.520 3.999 50 0 GHAALO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000012944570 570731617 /nfs/dbraw/zinc/73/16/17/570731617.db2.gz IXZFBBDFFJSYHW-UHFFFAOYSA-N 1 2 382.851 3.582 50 0 GHAALO C[N@H+](Cc1cnn(Cc2ccccc2)c1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000012944570 570731619 /nfs/dbraw/zinc/73/16/19/570731619.db2.gz IXZFBBDFFJSYHW-UHFFFAOYSA-N 1 2 382.851 3.582 50 0 GHAALO C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCN(c2ccccc2O)CC1 ZINC000013137520 570748345 /nfs/dbraw/zinc/74/83/45/570748345.db2.gz NXKYWMFULCEQNC-QGZVFWFLSA-N 1 2 375.472 3.695 50 0 GHAALO Cc1cc2nc(N(CCC[NH+]3CCOCC3)C(=O)c3ccco3)sc2cc1C ZINC000022997958 570775189 /nfs/dbraw/zinc/77/51/89/570775189.db2.gz KAVYURPNBXRSSM-UHFFFAOYSA-N 1 2 399.516 3.875 50 0 GHAALO Cc1cc2sc(N(CCC[NH+]3CCOCC3)C(=O)c3ccco3)nc2c(C)c1 ZINC000022997819 570775227 /nfs/dbraw/zinc/77/52/27/570775227.db2.gz NURZQGXMFKCZJC-UHFFFAOYSA-N 1 2 399.516 3.875 50 0 GHAALO O=C(NCCc1ccccc1)C1CCN(c2[nH]c3ccc(Cl)cc3[nH+]2)CC1 ZINC000033071138 570802217 /nfs/dbraw/zinc/80/22/17/570802217.db2.gz DQNBUHYZPNFFAB-UHFFFAOYSA-N 1 2 382.895 3.792 50 0 GHAALO Cc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCCc4ccccc4C)C3)[nH+]c2c1 ZINC000033072200 570803518 /nfs/dbraw/zinc/80/35/18/570803518.db2.gz KGMBGZVNKJDFJU-LJQANCHMSA-N 1 2 376.504 3.755 50 0 GHAALO Cc1ccc2[nH+]c(N3CCC[C@@H](C(=O)NCCc4ccccc4C)C3)[nH]c2c1 ZINC000033072200 570803522 /nfs/dbraw/zinc/80/35/22/570803522.db2.gz KGMBGZVNKJDFJU-LJQANCHMSA-N 1 2 376.504 3.755 50 0 GHAALO CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000012521811 570827909 /nfs/dbraw/zinc/82/79/09/570827909.db2.gz UMCGUEQTUSZABJ-OAQYLSRUSA-N 1 2 397.544 3.697 50 0 GHAALO C[C@H](O)CNc1[nH+]c2ccccc2n1-c1nc(C(F)(F)F)nc2ccccc21 ZINC000012534914 570835452 /nfs/dbraw/zinc/83/54/52/570835452.db2.gz XUTXWNAVPWVKBQ-NSHDSACASA-N 1 2 387.365 3.780 50 0 GHAALO Cc1ccc(S(=O)(=O)c2nc(NCCCn3cc[nH+]c3)sc2Cl)cc1 ZINC000003241339 570840761 /nfs/dbraw/zinc/84/07/61/570840761.db2.gz HVDQZUMEPIEKPV-UHFFFAOYSA-N 1 2 396.925 3.636 50 0 GHAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043976160 570848771 /nfs/dbraw/zinc/84/87/71/570848771.db2.gz RFEBOMVMKXZLNH-UHFFFAOYSA-N 1 2 387.911 3.925 50 0 GHAALO CN(CC(=O)Nc1c(Cl)cccc1Cl)c1cc(NCC2CC2)[nH+]cn1 ZINC000170590947 570848902 /nfs/dbraw/zinc/84/89/02/570848902.db2.gz DMYKNPCGKCACCY-UHFFFAOYSA-N 1 2 380.279 3.680 50 0 GHAALO CN(CC(=O)Nc1c(Cl)cccc1Cl)c1cc(NCC2CC2)nc[nH+]1 ZINC000170590947 570848904 /nfs/dbraw/zinc/84/89/04/570848904.db2.gz DMYKNPCGKCACCY-UHFFFAOYSA-N 1 2 380.279 3.680 50 0 GHAALO C[C@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547854 570849871 /nfs/dbraw/zinc/84/98/71/570849871.db2.gz DJIUODHUZQPYFO-WMZOPIPTSA-N 1 2 398.507 3.697 50 0 GHAALO Cc1cc(OCC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)ccc1Cl ZINC000012549834 570851700 /nfs/dbraw/zinc/85/17/00/570851700.db2.gz IJQIHRWOPRAUAH-LJQANCHMSA-N 1 2 387.842 3.806 50 0 GHAALO COc1cc(C(=S)NCCCn2cc[nH+]c2)ccc1OCc1ccccc1 ZINC000012550951 570854227 /nfs/dbraw/zinc/85/42/27/570854227.db2.gz IQKZOCVDUUAVRE-UHFFFAOYSA-N 1 2 381.501 3.826 50 0 GHAALO Cc1ccc(NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)cc1 ZINC000065245168 570863392 /nfs/dbraw/zinc/86/33/92/570863392.db2.gz VBPONKQHPDAXMU-KRWDZBQOSA-N 1 2 379.508 3.995 50 0 GHAALO Cc1ccc(NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)cc1 ZINC000065245168 570863393 /nfs/dbraw/zinc/86/33/93/570863393.db2.gz VBPONKQHPDAXMU-KRWDZBQOSA-N 1 2 379.508 3.995 50 0 GHAALO CCOC(=O)c1oc2ccc(Cl)cc2c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000015017626 570872210 /nfs/dbraw/zinc/87/22/10/570872210.db2.gz PIKSDUVLBVCTDX-UHFFFAOYSA-N 1 2 399.878 3.980 50 0 GHAALO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038232 570873031 /nfs/dbraw/zinc/87/30/31/570873031.db2.gz HIVNHBJLEGWJFM-UHFFFAOYSA-N 1 2 387.911 3.556 50 0 GHAALO Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000015038232 570873034 /nfs/dbraw/zinc/87/30/34/570873034.db2.gz HIVNHBJLEGWJFM-UHFFFAOYSA-N 1 2 387.911 3.556 50 0 GHAALO CCOc1ccccc1N1CC[NH+]([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 ZINC000012589906 570883144 /nfs/dbraw/zinc/88/31/44/570883144.db2.gz KXIAZTRPHHOHIJ-HSZRJFAPSA-N 1 2 393.531 3.571 50 0 GHAALO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N(C)CC(=O)Nc1c(C)cccc1C ZINC000015547447 570896462 /nfs/dbraw/zinc/89/64/62/570896462.db2.gz XTSOAPCEGJBMQR-GOSISDBHSA-N 1 2 399.560 3.771 50 0 GHAALO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N(C)CC(=O)Nc1c(C)cccc1C ZINC000015547447 570896464 /nfs/dbraw/zinc/89/64/64/570896464.db2.gz XTSOAPCEGJBMQR-GOSISDBHSA-N 1 2 399.560 3.771 50 0 GHAALO Cc1[nH]c2ccc(C(=O)N[C@H](C[NH+]3CCOCC3)c3ccccc3)cc2c1C ZINC000014228547 570904119 /nfs/dbraw/zinc/90/41/19/570904119.db2.gz KPARGWSXSATDAE-JOCHJYFZSA-N 1 2 377.488 3.588 50 0 GHAALO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000089662122 570908846 /nfs/dbraw/zinc/90/88/46/570908846.db2.gz LRGIYYNINPPMOC-HZPDHXFCSA-N 1 2 376.501 3.701 50 0 GHAALO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000089662122 570908849 /nfs/dbraw/zinc/90/88/49/570908849.db2.gz LRGIYYNINPPMOC-HZPDHXFCSA-N 1 2 376.501 3.701 50 0 GHAALO CCc1cc2oc(=O)cc(C[NH+]3CCN(c4ccccn4)CC3)c2cc1Cl ZINC000016044206 570912715 /nfs/dbraw/zinc/91/27/15/570912715.db2.gz FNYMDRRLXDVIHE-UHFFFAOYSA-N 1 2 383.879 3.726 50 0 GHAALO CC(C)n1cc[nH+]c1-c1ccc(C(=O)N2CCN(c3ccccc3)C(=O)C2)cc1 ZINC000534659052 570916350 /nfs/dbraw/zinc/91/63/50/570916350.db2.gz IDOUGAFZVYBKAK-UHFFFAOYSA-N 1 2 388.471 3.620 50 0 GHAALO Cc1ccc2[nH+]c(COC(=O)CCCNC(=O)c3ccc(Cl)cc3)cn2c1 ZINC000016209899 570917614 /nfs/dbraw/zinc/91/76/14/570917614.db2.gz QYEFMOUIMHVFPV-UHFFFAOYSA-N 1 2 385.851 3.550 50 0 GHAALO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000016604786 570928826 /nfs/dbraw/zinc/92/88/26/570928826.db2.gz JSHHVARRIYCOIF-UHFFFAOYSA-N 1 2 385.851 3.854 50 0 GHAALO C[C@H](NC(=O)Nc1ccc(Cl)cc1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182629 570941420 /nfs/dbraw/zinc/94/14/20/570941420.db2.gz RXORUYSBLFGGNO-GUYCJALGSA-N 1 2 379.913 3.985 50 0 GHAALO C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182605 570941522 /nfs/dbraw/zinc/94/15/22/570941522.db2.gz KXFMHIHVGCYSHZ-SUMWQHHRSA-N 1 2 379.913 3.985 50 0 GHAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cccc2ncccc21 ZINC000054582829 570976106 /nfs/dbraw/zinc/97/61/06/570976106.db2.gz LLVNHEMQJRZGEG-UHFFFAOYSA-N 1 2 380.879 3.649 50 0 GHAALO CCn1nc(CC(C)C)cc1C(=O)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095373291 571062721 /nfs/dbraw/zinc/06/27/21/571062721.db2.gz RKNRVDQXBSARQL-UHFFFAOYSA-N 1 2 383.540 3.728 50 0 GHAALO Cc1ccc2[nH]c(=O)cc(C(=O)N3CCC[C@@H](c4[nH+]ccn4C(C)C)C3)c2c1 ZINC000095501904 571076665 /nfs/dbraw/zinc/07/66/65/571076665.db2.gz YZXSSYLRRYMWJP-MRXNPFEDSA-N 1 2 378.476 3.634 50 0 GHAALO Cc1nnc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)[nH]1 ZINC000095510465 571081617 /nfs/dbraw/zinc/08/16/17/571081617.db2.gz BMMYMJYNMGMCMB-CQSZACIVSA-N 1 2 395.429 3.763 50 0 GHAALO Cc1nnc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)[nH]1 ZINC000095510465 571081620 /nfs/dbraw/zinc/08/16/20/571081620.db2.gz BMMYMJYNMGMCMB-CQSZACIVSA-N 1 2 395.429 3.763 50 0 GHAALO CN(C)c1ccc(CCC(=O)N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)cc1 ZINC000095520075 571086784 /nfs/dbraw/zinc/08/67/84/571086784.db2.gz TUKZBNRQWNDKQE-FQEVSTJZSA-N 1 2 380.536 3.698 50 0 GHAALO Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]Cc1nnc[nH]1 ZINC000888093196 842452531 /nfs/dbraw/zinc/45/25/31/842452531.db2.gz TUAOGAKIBOGLOL-VIFPVBQESA-N 1 2 378.299 3.850 50 0 GHAALO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000056945224 861846965 /nfs/dbraw/zinc/84/69/65/861846965.db2.gz GQOMAKAMRKKAPJ-OAQYLSRUSA-N 1 2 381.520 3.839 50 0 GHAALO COc1cccc(N2CC[NH+]([C@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)c1 ZINC000057024668 861870334 /nfs/dbraw/zinc/87/03/34/861870334.db2.gz VYIOCSIFEGZEKW-LJQANCHMSA-N 1 2 381.520 3.770 50 0 GHAALO CC(=O)c1ccc(N2CC[NH+](Cc3cc(=O)oc4cc(C)c(C)cc34)CC2)cc1 ZINC000057406473 862079215 /nfs/dbraw/zinc/07/92/15/862079215.db2.gz PGPVLWOQQWZONB-UHFFFAOYSA-N 1 2 390.483 3.935 50 0 GHAALO O=C(C[NH+]1CCC(OCc2ccccc2)CC1)Nc1ccnn1C1CCCC1 ZINC000008748777 856342877 /nfs/dbraw/zinc/34/28/77/856342877.db2.gz ZXBULFWBODDXCT-UHFFFAOYSA-N 1 2 382.508 3.618 50 0 GHAALO O=C(CCCn1cc[nH+]c1)N1CCCCC[C@H]1c1noc(-c2ccccc2)n1 ZINC000096001303 860743541 /nfs/dbraw/zinc/74/35/41/860743541.db2.gz SEUOICKPDCROEV-SFHVURJKSA-N 1 2 379.464 3.857 50 0 GHAALO CCOc1ccccc1NC(=O)N1CCC[C@H](Cn2c(C)c[nH+]c2COC)C1 ZINC000575548779 866188794 /nfs/dbraw/zinc/18/87/94/866188794.db2.gz JRGYEBOWQVIAPB-KRWDZBQOSA-N 1 2 386.496 3.681 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1C[C@@H]1CCN(C(=O)COc2ccc(F)cc2)C1 ZINC000581813681 870056986 /nfs/dbraw/zinc/05/69/86/870056986.db2.gz DHUIHWJCOYPYRD-GOSISDBHSA-N 1 2 393.462 3.925 50 0 GHAALO COCc1[nH+]cc(C)n1CCC1CCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000581813997 870058193 /nfs/dbraw/zinc/05/81/93/870058193.db2.gz NWQGPQFUUBKWPJ-UHFFFAOYSA-N 1 2 381.520 3.698 50 0 GHAALO Cc1ccc(-c2ncccc2NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000189471655 905089850 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GHAALO COC(=O)Cn1ncc2c1nc[nH+]c2N1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000095449531 536387293 /nfs/dbraw/zinc/38/72/93/536387293.db2.gz XPDNBHJPWILDSN-LJQANCHMSA-N 1 2 393.491 3.854 50 0 GHAALO CCOC(=O)/C=C/c1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000048066129 570218181 /nfs/dbraw/zinc/21/81/81/570218181.db2.gz SUILNDSYPCYGAC-JXMROGBWSA-N 1 2 394.475 3.580 50 0 GHAALO O=C(NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1)c1n[nH]c2c1CCCC2 ZINC000096166680 570218281 /nfs/dbraw/zinc/21/82/81/570218281.db2.gz KUMMGCMEHICMKM-UHFFFAOYSA-N 1 2 377.492 3.869 50 0 GHAALO c1nn(-c2ccccc2)c2nc[nH+]c(N3CCC[C@@H]3c3ccc4c(c3)OCCO4)c12 ZINC000012808031 570222133 /nfs/dbraw/zinc/22/21/33/570222133.db2.gz NPIDPEVBRBFDOZ-LJQANCHMSA-N 1 2 399.454 3.928 50 0 GHAALO CCCS(=O)(=O)N1CC[NH+](Cc2ccc3c(c2)c2ccccc2n3CC)CC1 ZINC000019842790 570225120 /nfs/dbraw/zinc/22/51/20/570225120.db2.gz XFSIZUDVICOUMM-UHFFFAOYSA-N 1 2 399.560 3.672 50 0 GHAALO Cc1ccc(C)c(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019956705 570233151 /nfs/dbraw/zinc/23/31/51/570233151.db2.gz ZLXREHXMBLEGFG-UHFFFAOYSA-N 1 2 383.517 3.547 50 0 GHAALO CN(c1ccc(C(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)cn1)C1CCCCC1 ZINC000020109892 570240745 /nfs/dbraw/zinc/24/07/45/570240745.db2.gz DFAYOXMRUVIKMR-SFHVURJKSA-N 1 2 381.524 3.599 50 0 GHAALO Cc1ccc(-c2nc3ccccc3c(C(=O)NCC[NH+]3CCOCC3)c2C)cc1 ZINC000020149362 570244090 /nfs/dbraw/zinc/24/40/90/570244090.db2.gz PSYXKGLFSFQSID-UHFFFAOYSA-N 1 2 389.499 3.581 50 0 GHAALO COc1ccc(NC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1OC ZINC000020259147 570250807 /nfs/dbraw/zinc/25/08/07/570250807.db2.gz GLLSFYHYNUEGJW-UHFFFAOYSA-N 1 2 389.883 3.707 50 0 GHAALO O=C(c1cc(Cl)ccc1Cl)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000049031298 570261005 /nfs/dbraw/zinc/26/10/05/570261005.db2.gz SCDKFTOVFHEQOO-HNNXBMFYSA-N 1 2 385.316 3.546 50 0 GHAALO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3cccnc3)cc2)n1 ZINC000020513508 570264879 /nfs/dbraw/zinc/26/48/79/570264879.db2.gz BXKDEXXEGJGMKT-JOCHJYFZSA-N 1 2 389.503 3.877 50 0 GHAALO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3cccnc3)cc2)n1 ZINC000020513508 570264881 /nfs/dbraw/zinc/26/48/81/570264881.db2.gz BXKDEXXEGJGMKT-JOCHJYFZSA-N 1 2 389.503 3.877 50 0 GHAALO Cc1cccc(OCc2nc3c4c5c(sc4ncn3n2)C[N@H+](C)CC5)c1C ZINC000020567068 570268350 /nfs/dbraw/zinc/26/83/50/570268350.db2.gz DASWBBVQBPPIFK-UHFFFAOYSA-N 1 2 379.489 3.523 50 0 GHAALO Cc1cccc(OCc2nc3c4c5c(sc4ncn3n2)C[N@@H+](C)CC5)c1C ZINC000020567068 570268351 /nfs/dbraw/zinc/26/83/51/570268351.db2.gz DASWBBVQBPPIFK-UHFFFAOYSA-N 1 2 379.489 3.523 50 0 GHAALO CC[C@H](C)c1n[nH]c2c1CN(C(=O)Cn1c3ccccc3[nH+]c1C(C)C)CC2 ZINC000020867442 570282734 /nfs/dbraw/zinc/28/27/34/570282734.db2.gz HMCWSYTXWMRSGK-HNNXBMFYSA-N 1 2 379.508 3.981 50 0 GHAALO COc1ccc(C[N@H+](C)[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)c(OC)c1 ZINC000012913639 570291757 /nfs/dbraw/zinc/29/17/57/570291757.db2.gz JIFVCUGVGYZGDC-NRFANRHFSA-N 1 2 395.459 3.812 50 0 GHAALO COc1ccc(C[N@@H+](C)[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)c(OC)c1 ZINC000012913639 570291759 /nfs/dbraw/zinc/29/17/59/570291759.db2.gz JIFVCUGVGYZGDC-NRFANRHFSA-N 1 2 395.459 3.812 50 0 GHAALO CCN(CCc1[nH]c2ccc(OC)cc2[nH+]1)C(=O)c1cnc2c(c1)CCCC2 ZINC000215953459 570293990 /nfs/dbraw/zinc/29/39/90/570293990.db2.gz AWAMRCUFQSBTAF-UHFFFAOYSA-N 1 2 378.476 3.550 50 0 GHAALO Cc1cccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000002694931 570295427 /nfs/dbraw/zinc/29/54/27/570295427.db2.gz LBDOIYNSODWDIO-UHFFFAOYSA-N 1 2 388.450 3.590 50 0 GHAALO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000035288645 570296892 /nfs/dbraw/zinc/29/68/92/570296892.db2.gz QCWISTPWVGSXET-PBHICJAKSA-N 1 2 384.501 3.932 50 0 GHAALO CC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000035288645 570296894 /nfs/dbraw/zinc/29/68/94/570296894.db2.gz QCWISTPWVGSXET-PBHICJAKSA-N 1 2 384.501 3.932 50 0 GHAALO O=C(C[NH+]1CCC(NC(=O)c2cccc3ccccc32)CC1)Nc1ccccc1 ZINC000022383722 570315231 /nfs/dbraw/zinc/31/52/31/570315231.db2.gz QRDJNJDGNILCPX-UHFFFAOYSA-N 1 2 387.483 3.673 50 0 GHAALO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000022783860 570327512 /nfs/dbraw/zinc/32/75/12/570327512.db2.gz ORRRFOLYVSORIV-INIZCTEOSA-N 1 2 391.437 3.850 50 0 GHAALO C[C@@H](C(=O)Nc1ccccc1)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000022783860 570327515 /nfs/dbraw/zinc/32/75/15/570327515.db2.gz ORRRFOLYVSORIV-INIZCTEOSA-N 1 2 391.437 3.850 50 0 GHAALO O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[NH+]1CCN(c2ncccn2)CC1 ZINC000034892379 570343019 /nfs/dbraw/zinc/34/30/19/570343019.db2.gz SLPDENLVPPBSJD-QFIPXVFZSA-N 1 2 397.482 3.704 50 0 GHAALO O=C([C@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCCC2)C1)N1CCOCC1 ZINC000034900822 570343620 /nfs/dbraw/zinc/34/36/20/570343620.db2.gz SCUVREIJYLXMJZ-SFHVURJKSA-N 1 2 396.535 3.617 50 0 GHAALO COc1ccc2cc(C[N@H+](C)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)ccc2c1 ZINC000035399865 570350275 /nfs/dbraw/zinc/35/02/75/570350275.db2.gz HLCFZKOCNUDAGW-MWTRTKDXSA-N 1 2 395.503 3.738 50 0 GHAALO COc1ccc2cc(C[N@@H+](C)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)ccc2c1 ZINC000035399865 570350278 /nfs/dbraw/zinc/35/02/78/570350278.db2.gz HLCFZKOCNUDAGW-MWTRTKDXSA-N 1 2 395.503 3.738 50 0 GHAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)NC1CCCCCC1 ZINC000035404045 570351444 /nfs/dbraw/zinc/35/14/44/570351444.db2.gz JZIMNSRYSLMMRL-UHFFFAOYSA-N 1 2 378.520 3.800 50 0 GHAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)NC1CCCCCC1 ZINC000035404045 570351445 /nfs/dbraw/zinc/35/14/45/570351445.db2.gz JZIMNSRYSLMMRL-UHFFFAOYSA-N 1 2 378.520 3.800 50 0 GHAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CC(=O)c1cccn1C)CC2 ZINC000035335098 570356273 /nfs/dbraw/zinc/35/62/73/570356273.db2.gz SUQPKHLJDMGUOH-DEOSSOPVSA-N 1 2 390.483 3.873 50 0 GHAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CC(=O)c1cccn1C)CC2 ZINC000035335098 570356277 /nfs/dbraw/zinc/35/62/77/570356277.db2.gz SUQPKHLJDMGUOH-DEOSSOPVSA-N 1 2 390.483 3.873 50 0 GHAALO COc1ccc2cc(C[N@H+](C)CN3C(=O)NC4(CCCCCC4)C3=O)ccc2c1 ZINC000023732874 570370923 /nfs/dbraw/zinc/37/09/23/570370923.db2.gz NHQFYFCVQUXJQQ-UHFFFAOYSA-N 1 2 395.503 3.883 50 0 GHAALO COc1ccc2cc(C[N@@H+](C)CN3C(=O)NC4(CCCCCC4)C3=O)ccc2c1 ZINC000023732874 570370925 /nfs/dbraw/zinc/37/09/25/570370925.db2.gz NHQFYFCVQUXJQQ-UHFFFAOYSA-N 1 2 395.503 3.883 50 0 GHAALO Cc1[nH]c2ccc(C(=O)NCc3ccccc3C[NH+]3CCOCC3)cc2c1C ZINC000023845390 570373314 /nfs/dbraw/zinc/37/33/14/570373314.db2.gz NDBNSBMENLDMMX-UHFFFAOYSA-N 1 2 377.488 3.547 50 0 GHAALO CCc1c(C(=O)N2CC[NH+](Cc3cccs3)CC2)cnn1-c1ccc(F)cc1 ZINC000024569393 570385820 /nfs/dbraw/zinc/38/58/20/570385820.db2.gz IKCBHSGEHLZFAQ-UHFFFAOYSA-N 1 2 398.507 3.593 50 0 GHAALO Cc1nc(-c2ccccc2)sc1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000025254786 570409720 /nfs/dbraw/zinc/40/97/20/570409720.db2.gz SVPLKFWYXJRBOV-HUUCEWRRSA-N 1 2 387.549 3.736 50 0 GHAALO CCOc1ccc(CN2CC[N@H+](Cc3cc4ccccc4[nH]3)C[C@H]2CCO)cc1 ZINC000244673957 570433118 /nfs/dbraw/zinc/43/31/18/570433118.db2.gz HYVUSMHYYSUJIS-JOCHJYFZSA-N 1 2 393.531 3.635 50 0 GHAALO CCOc1ccc(CN2CC[N@@H+](Cc3cc4ccccc4[nH]3)C[C@H]2CCO)cc1 ZINC000244673957 570433120 /nfs/dbraw/zinc/43/31/20/570433120.db2.gz HYVUSMHYYSUJIS-JOCHJYFZSA-N 1 2 393.531 3.635 50 0 GHAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000030011770 570484450 /nfs/dbraw/zinc/48/44/50/570484450.db2.gz XJJWRUJMGGPGDE-UHFFFAOYSA-N 1 2 381.867 3.655 50 0 GHAALO C[NH+]1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000030828899 570497495 /nfs/dbraw/zinc/49/74/95/570497495.db2.gz AMESBWIPGXVSNJ-UHFFFAOYSA-N 1 2 394.302 3.763 50 0 GHAALO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000033359566 570525867 /nfs/dbraw/zinc/52/58/67/570525867.db2.gz CMHOBZBLHMBTIE-UHFFFAOYSA-N 1 2 378.516 3.614 50 0 GHAALO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022298643 570538347 /nfs/dbraw/zinc/53/83/47/570538347.db2.gz GUXPBMIKIBLZED-SFHVURJKSA-N 1 2 395.330 3.551 50 0 GHAALO C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000036385403 570657147 /nfs/dbraw/zinc/65/71/47/570657147.db2.gz LSBOGSOCZLWGJL-QAPCUYQASA-N 1 2 382.533 3.991 50 0 GHAALO C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000036385403 570657150 /nfs/dbraw/zinc/65/71/50/570657150.db2.gz LSBOGSOCZLWGJL-QAPCUYQASA-N 1 2 382.533 3.991 50 0 GHAALO CC(C)CC[N@H+](C)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 ZINC000012447046 570666966 /nfs/dbraw/zinc/66/69/66/570666966.db2.gz PNUXBZJXSBHYJA-UHFFFAOYSA-N 1 2 391.581 3.839 50 0 GHAALO CC(C)CC[N@@H+](C)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 ZINC000012447046 570666967 /nfs/dbraw/zinc/66/69/67/570666967.db2.gz PNUXBZJXSBHYJA-UHFFFAOYSA-N 1 2 391.581 3.839 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1Br)c1ccccc1F ZINC000012629566 570692737 /nfs/dbraw/zinc/69/27/37/570692737.db2.gz SBVDTGWBEGKUSB-INIZCTEOSA-N 1 2 388.240 3.841 50 0 GHAALO O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000012804329 570718673 /nfs/dbraw/zinc/71/86/73/570718673.db2.gz FUAFDQAYBRTLSP-UHFFFAOYSA-N 1 2 394.393 3.555 50 0 GHAALO C[N@@H+]1CCc2nc(NC(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)sc2C1 ZINC000189006196 570738100 /nfs/dbraw/zinc/73/81/00/570738100.db2.gz FUMLMHUJVLERJJ-UHFFFAOYSA-N 1 2 381.423 3.820 50 0 GHAALO C[N@H+]1CCc2nc(NC(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)sc2C1 ZINC000189006196 570738104 /nfs/dbraw/zinc/73/81/04/570738104.db2.gz FUMLMHUJVLERJJ-UHFFFAOYSA-N 1 2 381.423 3.820 50 0 GHAALO O=C1NC2(CCCCC2)C(=O)N1C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000013041735 570743520 /nfs/dbraw/zinc/74/35/20/570743520.db2.gz QLSBDVLYLYICAR-OAHLLOKOSA-N 1 2 398.532 3.688 50 0 GHAALO O=C1NC2(CCCCC2)C(=O)N1C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000013041735 570743525 /nfs/dbraw/zinc/74/35/25/570743525.db2.gz QLSBDVLYLYICAR-OAHLLOKOSA-N 1 2 398.532 3.688 50 0 GHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC ZINC000013058148 570744311 /nfs/dbraw/zinc/74/43/11/570744311.db2.gz VPMMLIKTDLKETJ-UHFFFAOYSA-N 1 2 382.382 3.793 50 0 GHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC ZINC000013058148 570744314 /nfs/dbraw/zinc/74/43/14/570744314.db2.gz VPMMLIKTDLKETJ-UHFFFAOYSA-N 1 2 382.382 3.793 50 0 GHAALO O=C(CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2)NCCOc1ccccc1 ZINC000032752924 570792203 /nfs/dbraw/zinc/79/22/03/570792203.db2.gz IQXGSGHCFSQSOX-UHFFFAOYSA-N 1 2 396.447 3.538 50 0 GHAALO C[C@@H](Cc1ccco1)NC(=O)C1CCN(c2[nH]c3ccc(Cl)cc3[nH+]2)CC1 ZINC000033071184 570802875 /nfs/dbraw/zinc/80/28/75/570802875.db2.gz KKZNNZVXVWIWOE-ZDUSSCGKSA-N 1 2 386.883 3.773 50 0 GHAALO COc1ccc(CNC(=O)[C@@H]2CCCN(c3[nH]c4ccc(Cl)cc4[nH+]3)C2)cc1 ZINC000033071422 570803026 /nfs/dbraw/zinc/80/30/26/570803026.db2.gz XJNVKIURKWZTPS-OAHLLOKOSA-N 1 2 398.894 3.758 50 0 GHAALO CCc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccc(F)cc4)CC3)c2c1 ZINC000033088022 570807247 /nfs/dbraw/zinc/80/72/47/570807247.db2.gz GVCVHXPPOZESLF-UHFFFAOYSA-N 1 2 380.463 3.812 50 0 GHAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4ccc(F)cc4)CC3)c2c1 ZINC000033088022 570807248 /nfs/dbraw/zinc/80/72/48/570807248.db2.gz GVCVHXPPOZESLF-UHFFFAOYSA-N 1 2 380.463 3.812 50 0 GHAALO Cc1nc(N2CCC(NC(=O)OCc3ccccc3)CC2)c2c([nH+]1)CCCC2 ZINC000238870854 570808075 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CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000012525085 570830309 /nfs/dbraw/zinc/83/03/09/570830309.db2.gz GXZRRNUXBPSCCH-KRWDZBQOSA-N 1 2 383.517 3.923 50 0 GHAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1-c1nc(C(F)(F)F)nc2ccccc21 ZINC000012534913 570835278 /nfs/dbraw/zinc/83/52/78/570835278.db2.gz XUTXWNAVPWVKBQ-LLVKDONJSA-N 1 2 387.365 3.780 50 0 GHAALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000007436950 570843323 /nfs/dbraw/zinc/84/33/23/570843323.db2.gz MZUQIJMPDIQDMN-QGZVFWFLSA-N 1 2 382.460 3.693 50 0 GHAALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000007436950 570843325 /nfs/dbraw/zinc/84/33/25/570843325.db2.gz MZUQIJMPDIQDMN-QGZVFWFLSA-N 1 2 382.460 3.693 50 0 GHAALO CCCCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1ccc(OC)cc1 ZINC000170605477 570863006 /nfs/dbraw/zinc/86/30/06/570863006.db2.gz SKWLEGJOHWHEGS-INIZCTEOSA-N 1 2 390.553 3.567 50 0 GHAALO CCCCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1ccc(OC)cc1 ZINC000170605477 570863009 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3.758 50 0 GHAALO Cc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000056945380 861846294 /nfs/dbraw/zinc/84/62/94/861846294.db2.gz XJADCUWKMYRISZ-JOCHJYFZSA-N 1 2 389.499 3.881 50 0 GHAALO O=C(Nc1ccccc1)O[C@H](C[NH+]1CCN(c2ccccc2)CC1)C(F)(F)F ZINC000020219004 860518707 /nfs/dbraw/zinc/51/87/07/860518707.db2.gz XTTGJFQANXUSNS-GOSISDBHSA-N 1 2 393.409 3.988 50 0 GHAALO Cc1cn2cc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)ccc2[nH+]1 ZINC000095393794 860562441 /nfs/dbraw/zinc/56/24/41/860562441.db2.gz YLGBQIVXQSVBCC-UHFFFAOYSA-N 1 2 377.448 3.525 50 0 GHAALO c1ccc(-n2nc(C[N@@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)c3c2CCC3)cc1 ZINC000095980436 860731842 /nfs/dbraw/zinc/73/18/42/860731842.db2.gz PDUFJJCYCHKFHW-QGZVFWFLSA-N 1 2 388.519 3.736 50 0 GHAALO c1ccc(-n2nc(C[N@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)c3c2CCC3)cc1 ZINC000095980436 860731844 /nfs/dbraw/zinc/73/18/44/860731844.db2.gz PDUFJJCYCHKFHW-QGZVFWFLSA-N 1 2 388.519 3.736 50 0 GHAALO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cncn3-c3ccccc3)CC2)cc1 ZINC000021789505 860942058 /nfs/dbraw/zinc/94/20/58/860942058.db2.gz RIFMUUZPBBHLAX-UHFFFAOYSA-N 1 2 388.515 3.954 50 0 GHAALO COc1ccc(C(=O)N2CCC(n3c(C)c[nH+]c3-c3cccnc3)CC2)cc1 ZINC000581808635 870040374 /nfs/dbraw/zinc/04/03/74/870040374.db2.gz DJBZPRKRPJXNQT-UHFFFAOYSA-N 1 2 376.460 3.739 50 0 GHAALO C[C@H](CNC(=O)[C@H](C)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000022772768 872305205 /nfs/dbraw/zinc/30/52/05/872305205.db2.gz UPGIELPGEYXOKG-HEBQGLKUSA-N 1 2 391.559 3.626 50 0 GHAALO C[C@@H](NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000022877167 872790067 /nfs/dbraw/zinc/79/00/67/872790067.db2.gz XSJIWDABDFHBHM-MTCRFPMVSA-N 1 2 397.950 3.848 50 0 GHAALO O=C(NC(=O)c1ccc(C(F)(F)F)cc1)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000008378776 892291522 /nfs/dbraw/zinc/29/15/22/892291522.db2.gz NQVBWFWHAOFIKR-GDBMZVCRSA-N 1 2 384.398 3.836 50 0 GHAALO O=C(NC(=O)c1ccc(C(F)(F)F)cc1)OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000008378776 892291540 /nfs/dbraw/zinc/29/15/40/892291540.db2.gz 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GHAALO CCc1ccc(NC(=O)C[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000057243009 205154552 /nfs/dbraw/zinc/15/45/52/205154552.db2.gz RATAEYRTERQIBZ-UHFFFAOYSA-N 1 2 380.517 3.619 50 0 GHAALO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000057286280 205155447 /nfs/dbraw/zinc/15/54/47/205155447.db2.gz CWFNGFSATGJQST-HNNXBMFYSA-N 1 2 380.473 3.920 50 0 GHAALO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000057286280 205155451 /nfs/dbraw/zinc/15/54/51/205155451.db2.gz CWFNGFSATGJQST-HNNXBMFYSA-N 1 2 380.473 3.920 50 0 GHAALO CSc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000058063042 205162856 /nfs/dbraw/zinc/16/28/56/205162856.db2.gz AUAZGDKORWEWSD-MRXNPFEDSA-N 1 2 393.553 3.726 50 0 GHAALO CSc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000058063042 205162860 /nfs/dbraw/zinc/16/28/60/205162860.db2.gz AUAZGDKORWEWSD-MRXNPFEDSA-N 1 2 393.553 3.726 50 0 GHAALO O=C(Cn1c2ccccc2[nH+]c1C1CC1)NCCc1ccc(OC(F)F)cc1 ZINC000058313719 205172348 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Cc1c(Cl)cccc1NC(=O)Cn1ncc2c1nc[nH+]c2N1CCCCCC1 ZINC000065295240 205227636 /nfs/dbraw/zinc/22/76/36/205227636.db2.gz AJIDWDSNGUEUTK-UHFFFAOYSA-N 1 2 398.898 3.807 50 0 GHAALO Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)C3(Cn4cc[nH+]c4)CC3)C2)cc1 ZINC000067472977 205249473 /nfs/dbraw/zinc/24/94/73/205249473.db2.gz HFIAYRALQNJPHA-IBGZPJMESA-N 1 2 389.503 3.768 50 0 GHAALO Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)C3(Cn4cc[nH+]c4)CC3)C2)cc1 ZINC000067472977 205249477 /nfs/dbraw/zinc/24/94/77/205249477.db2.gz HFIAYRALQNJPHA-IBGZPJMESA-N 1 2 389.503 3.768 50 0 GHAALO COc1cccc([C@H]2c3[nH]cnc3CC[N@H+]2Cc2ccc(NC(C)=O)cc2)c1 ZINC000067589101 205250234 /nfs/dbraw/zinc/25/02/34/205250234.db2.gz VANRNEBJULQJNM-QFIPXVFZSA-N 1 2 376.460 3.524 50 0 GHAALO COc1cccc([C@H]2c3[nH]cnc3CC[N@@H+]2Cc2ccc(NC(C)=O)cc2)c1 ZINC000067589101 205250235 /nfs/dbraw/zinc/25/02/35/205250235.db2.gz VANRNEBJULQJNM-QFIPXVFZSA-N 1 2 376.460 3.524 50 0 GHAALO Cc1cc(OCc2cc(C(=O)N(C)Cc3[nH+]ccn3C)no2)cc(C)c1Cl ZINC000067973959 205271178 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3.742 50 0 GHAALO c1nc2nc(-c3ccccc3)cc(NCc3ccc(N4CCCCC4)[nH+]c3)n2n1 ZINC000084560054 136174950 /nfs/dbraw/zinc/17/49/50/136174950.db2.gz PJVPMSLKSFOBLR-UHFFFAOYSA-N 1 2 385.475 3.789 50 0 GHAALO CCCc1nc(C)cc(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)n1 ZINC000095511047 136180674 /nfs/dbraw/zinc/18/06/74/136180674.db2.gz HPRIRTBREBXDET-INIZCTEOSA-N 1 2 382.537 3.823 50 0 GHAALO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)c1ccc2ccccc2c1 ZINC000207982652 136200959 /nfs/dbraw/zinc/20/09/59/136200959.db2.gz FLPSUDMZAXMCET-UHFFFAOYSA-N 1 2 375.476 3.938 50 0 GHAALO O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCO[C@@H](CCCc2ccccc2)C1 ZINC000071415852 526746549 /nfs/dbraw/zinc/74/65/49/526746549.db2.gz KYDQDHIMKAKUEC-NRFANRHFSA-N 1 2 375.472 3.941 50 0 GHAALO CCNc1cc(N2CCC[C@H](CCC(=O)NCc3ccc(C)cc3)C2)nc[nH+]1 ZINC000065244990 535520949 /nfs/dbraw/zinc/52/09/49/535520949.db2.gz HKIMUTWBDHMMRO-LJQANCHMSA-N 1 2 381.524 3.530 50 0 GHAALO CCNc1cc(N2CCC[C@H](CCC(=O)NCc3ccc(C)cc3)C2)[nH+]cn1 ZINC000065244990 535520953 /nfs/dbraw/zinc/52/09/53/535520953.db2.gz HKIMUTWBDHMMRO-LJQANCHMSA-N 1 2 381.524 3.530 50 0 GHAALO CCc1[nH+]c([C@H](C)CC)nc(N2CCN(C(C)=O)CC2)c1Cc1ccc(F)cc1 ZINC000096316937 536149919 /nfs/dbraw/zinc/14/99/19/536149919.db2.gz ICJDAVJEUCLWFM-MRXNPFEDSA-N 1 2 398.526 3.951 50 0 GHAALO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000019789906 570219039 /nfs/dbraw/zinc/21/90/39/570219039.db2.gz QPHIIPDPTZQTQU-UHFFFAOYSA-N 1 2 380.513 3.655 50 0 GHAALO Cc1csc(-c2ccc(C(=O)NCCn3cc[nH+]c3)c(N3CCCCC3)n2)c1 ZINC000019795176 570219950 /nfs/dbraw/zinc/21/99/50/570219950.db2.gz RXKQVJGXQPTVHJ-UHFFFAOYSA-N 1 2 395.532 3.735 50 0 GHAALO Cc1ccc(Cn2c3ccccc3n(C[C@H](O)COc3ccccc3)c2=[NH2+])cc1 ZINC000019854771 570225758 /nfs/dbraw/zinc/22/57/58/570225758.db2.gz QFXRDIRBBPLBCV-FQEVSTJZSA-N 1 2 387.483 3.719 50 0 GHAALO C[C@H](Oc1cccc(Cl)c1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020311685 570252303 /nfs/dbraw/zinc/25/23/03/570252303.db2.gz HZLQQCBXJIDXQG-YOCVDRLZSA-N 1 2 384.907 3.965 50 0 GHAALO S=C(Nc1ccccc1)N(CC[NH+]1CCOCC1)Cc1cccc(Cl)c1 ZINC000020419543 570255423 /nfs/dbraw/zinc/25/54/23/570255423.db2.gz WXMZTWJFKLIXMB-UHFFFAOYSA-N 1 2 389.952 3.871 50 0 GHAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1c[nH]c2ccc(F)cc12 ZINC000020443723 570256018 /nfs/dbraw/zinc/25/60/18/570256018.db2.gz FTJKJYHOGPXZJK-QPJJXVBHSA-N 1 2 377.463 3.821 50 0 GHAALO Cc1ccc2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1cccc(Cl)c1C)CC3 ZINC000048987866 570256787 /nfs/dbraw/zinc/25/67/87/570256787.db2.gz KAJSCZQDXRSXPV-UHFFFAOYSA-N 1 2 395.890 3.795 50 0 GHAALO Cc1ccc2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1cccc(Cl)c1C)CC3 ZINC000048987866 570256790 /nfs/dbraw/zinc/25/67/90/570256790.db2.gz KAJSCZQDXRSXPV-UHFFFAOYSA-N 1 2 395.890 3.795 50 0 GHAALO Cc1ccc(C[N@@H+]2CCN(Cc3nc(-c4ccccc4)cs3)C[C@H]2CCO)o1 ZINC000104543967 570259988 /nfs/dbraw/zinc/25/99/88/570259988.db2.gz TVQOCMBKQFWOMD-LJQANCHMSA-N 1 2 397.544 3.780 50 0 GHAALO Cc1ccc(C[N@H+]2CCN(Cc3nc(-c4ccccc4)cs3)C[C@H]2CCO)o1 ZINC000104543967 570259990 /nfs/dbraw/zinc/25/99/90/570259990.db2.gz TVQOCMBKQFWOMD-LJQANCHMSA-N 1 2 397.544 3.780 50 0 GHAALO O=C1C[C@@H]([N@@H+]2CC=C(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000001441182 570263066 /nfs/dbraw/zinc/26/30/66/570263066.db2.gz FVAFGMLAISESTJ-LJQANCHMSA-N 1 2 384.838 3.900 50 0 GHAALO O=C1C[C@@H]([N@H+]2CC=C(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000001441182 570263069 /nfs/dbraw/zinc/26/30/69/570263069.db2.gz FVAFGMLAISESTJ-LJQANCHMSA-N 1 2 384.838 3.900 50 0 GHAALO Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000020896987 570283745 /nfs/dbraw/zinc/28/37/45/570283745.db2.gz QNFOZAVHVAESHD-UHFFFAOYSA-N 1 2 383.879 3.790 50 0 GHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000010737377 570289022 /nfs/dbraw/zinc/28/90/22/570289022.db2.gz XZAKXLKKYGGJGY-UHFFFAOYSA-N 1 2 395.463 3.762 50 0 GHAALO CC(C)(CNC(=O)c1ccccc1SCc1ccsc1)[NH+]1CCOCC1 ZINC000021911112 570298864 /nfs/dbraw/zinc/29/88/64/570298864.db2.gz FXTMDEPRGLRMRM-UHFFFAOYSA-N 1 2 390.574 3.881 50 0 GHAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1ccccc1-c1ccccc1 ZINC000043328948 570321547 /nfs/dbraw/zinc/32/15/47/570321547.db2.gz OCSYRZVSJRYMHB-UHFFFAOYSA-N 1 2 388.471 3.907 50 0 GHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc2c(s1)CCCCC2 ZINC000023804891 570332845 /nfs/dbraw/zinc/33/28/45/570332845.db2.gz PAHHTXGUPGJHRO-UHFFFAOYSA-N 1 2 384.545 3.779 50 0 GHAALO CC(=O)N1CC[NH+](Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1 ZINC000023129497 570345725 /nfs/dbraw/zinc/34/57/25/570345725.db2.gz OVPUWSZBOQDLJS-UHFFFAOYSA-N 1 2 392.478 3.651 50 0 GHAALO COc1ccccc1NC(=O)C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1 ZINC000035403941 570351141 /nfs/dbraw/zinc/35/11/41/570351141.db2.gz LCZCOKQQPGUJNR-UHFFFAOYSA-N 1 2 388.471 3.609 50 0 GHAALO COc1ccccc1NC(=O)C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1 ZINC000035403941 570351145 /nfs/dbraw/zinc/35/11/45/570351145.db2.gz LCZCOKQQPGUJNR-UHFFFAOYSA-N 1 2 388.471 3.609 50 0 GHAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1 ZINC000575615602 570354053 /nfs/dbraw/zinc/35/40/53/570354053.db2.gz FFOHDDVVYIRNOL-HXUWFJFHSA-N 1 2 389.499 3.867 50 0 GHAALO CCc1oc2ccccc2c1C[N@H+](C)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000023731546 570370337 /nfs/dbraw/zinc/37/03/37/570370337.db2.gz PJSLJRXPJYIHSH-UHFFFAOYSA-N 1 2 383.492 3.885 50 0 GHAALO CCc1oc2ccccc2c1C[N@@H+](C)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000023731546 570370339 /nfs/dbraw/zinc/37/03/39/570370339.db2.gz PJSLJRXPJYIHSH-UHFFFAOYSA-N 1 2 383.492 3.885 50 0 GHAALO Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(-n3cc[nH+]c3)nc2)cs1 ZINC000024781038 570393359 /nfs/dbraw/zinc/39/33/59/570393359.db2.gz FZUKIGGQSDHVHL-UHFFFAOYSA-N 1 2 387.468 3.902 50 0 GHAALO CSc1ncc(C(=O)N2CC[NH+](Cc3cccs3)CC2)n1-c1ccccc1 ZINC000025685651 570417973 /nfs/dbraw/zinc/41/79/73/570417973.db2.gz DCQDQBUQBWKNID-UHFFFAOYSA-N 1 2 398.557 3.614 50 0 GHAALO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000016558953 570447195 /nfs/dbraw/zinc/44/71/95/570447195.db2.gz GWVNATZIDXTBOU-UHFFFAOYSA-N 1 2 387.867 3.616 50 0 GHAALO CC[N@H+](Cc1ccc(Cl)cc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000016558953 570447197 /nfs/dbraw/zinc/44/71/97/570447197.db2.gz GWVNATZIDXTBOU-UHFFFAOYSA-N 1 2 387.867 3.616 50 0 GHAALO Cc1nc2cc(F)ccc2cc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000028954705 570466810 /nfs/dbraw/zinc/46/68/10/570466810.db2.gz IZYAEPYCOUOILB-UHFFFAOYSA-N 1 2 393.462 3.519 50 0 GHAALO Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@]31c2cc(Br)ccc2N(C)C1=O ZINC000020064219 570469268 /nfs/dbraw/zinc/46/92/68/570469268.db2.gz XALNDTZHSRQZEY-HXUWFJFHSA-N 1 2 396.288 3.605 50 0 biogenic GHAALO CN(C(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000006566332 570479237 /nfs/dbraw/zinc/47/92/37/570479237.db2.gz ABLACBIWNFFMLI-UHFFFAOYSA-N 1 2 375.457 3.571 50 0 GHAALO Cc1[nH+]c2ccccc2n1Cc1nnc2n1N=C(c1ccc(Cl)cc1)CS2 ZINC000007465619 570505268 /nfs/dbraw/zinc/50/52/68/570505268.db2.gz MWLHHFDCCYQTTI-UHFFFAOYSA-N 1 2 394.891 3.996 50 0 GHAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(OC)cc1)[NH+]1CCC(C)CC1)S2 ZINC000022853362 570557178 /nfs/dbraw/zinc/55/71/78/570557178.db2.gz DIKYKMXVNGGISZ-KRWDZBQOSA-N 1 2 386.521 3.889 50 0 GHAALO O[C@]1(C(F)(F)F)C=C[NH2+]N1c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000006829227 570626387 /nfs/dbraw/zinc/62/63/87/570626387.db2.gz QSVAKWNQEWSJPV-NSHDSACASA-N 1 2 382.289 3.671 50 0 GHAALO Cn1cc[nH+]c1CN1CCC[C@@H]1C(=O)Nc1cccc(-c2ccc(F)cc2)c1 ZINC000012446614 570666574 /nfs/dbraw/zinc/66/65/74/570666574.db2.gz FATOOLYODXCWSD-HXUWFJFHSA-N 1 2 378.451 3.829 50 0 GHAALO COc1ccccc1CNC(=O)CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2 ZINC000032752886 570791887 /nfs/dbraw/zinc/79/18/87/570791887.db2.gz VAAOSAYYSXHMMK-UHFFFAOYSA-N 1 2 396.447 3.667 50 0 GHAALO O=C(NCc1cccnc1-n1cc[nH+]c1)C1c2ccccc2Oc2ccccc21 ZINC000032778107 570800761 /nfs/dbraw/zinc/80/07/61/570800761.db2.gz DEFYUEVKNSCGLL-UHFFFAOYSA-N 1 2 382.423 3.821 50 0 GHAALO O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2[nH]c3ccc(Cl)cc3[nH+]2)C1 ZINC000033071481 570802820 /nfs/dbraw/zinc/80/28/20/570802820.db2.gz DULSJFYPTIVIDR-AWEZNQCLSA-N 1 2 386.858 3.888 50 0 GHAALO CSc1ccc(CNC(=O)[C@@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000033071884 570803208 /nfs/dbraw/zinc/80/32/08/570803208.db2.gz NLKNHJBJQLJKCY-MRXNPFEDSA-N 1 2 380.517 3.818 50 0 GHAALO CC[C@H](C(=O)N1CCN(c2[nH+]c3ccccc3n2CC)CC1)c1ccccc1 ZINC000033106632 570811636 /nfs/dbraw/zinc/81/16/36/570811636.db2.gz APLXXJVGADCSNX-IBGZPJMESA-N 1 2 376.504 3.899 50 0 GHAALO O=C(Nc1ccccc1C(=O)NCCc1cn2ccccc2[nH+]1)c1cccs1 ZINC000012520110 570826650 /nfs/dbraw/zinc/82/66/50/570826650.db2.gz MASWURYILRZBFD-UHFFFAOYSA-N 1 2 390.468 3.621 50 0 GHAALO C[N@@H+]1CCc2nc(NC(=O)c3ccc(OCc4ccccc4)cc3)sc2C1 ZINC000014184491 570827200 /nfs/dbraw/zinc/82/72/00/570827200.db2.gz WUHCXBLLOYSQBL-UHFFFAOYSA-N 1 2 379.485 3.962 50 0 GHAALO C[N@H+]1CCc2nc(NC(=O)c3ccc(OCc4ccccc4)cc3)sc2C1 ZINC000014184491 570827203 /nfs/dbraw/zinc/82/72/03/570827203.db2.gz WUHCXBLLOYSQBL-UHFFFAOYSA-N 1 2 379.485 3.962 50 0 GHAALO COc1ccc2nc(N(CCCn3cc[nH+]c3)C(=O)c3ccco3)sc2c1 ZINC000007424699 570841651 /nfs/dbraw/zinc/84/16/51/570841651.db2.gz IOXYLAXSJPKZSR-UHFFFAOYSA-N 1 2 382.445 3.832 50 0 GHAALO C[C@@H]1C[NH+](Cc2ccc(Cn3c(=O)c4ccccc4[nH]c3=S)cc2)C[C@@H](C)O1 ZINC000032831165 570845154 /nfs/dbraw/zinc/84/51/54/570845154.db2.gz CZELOAXRGWFFPW-HZPDHXFCSA-N 1 2 395.528 3.717 50 0 GHAALO C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000012550082 570851859 /nfs/dbraw/zinc/85/18/59/570851859.db2.gz YPTTWNXNCWLZMD-SCLBCKFNSA-N 1 2 387.842 3.886 50 0 GHAALO COc1cc(C[N@@H+]2CCc3[nH]nc(-c4ccccc4F)c3C2)cc2c1OCO2 ZINC000015063586 570875313 /nfs/dbraw/zinc/87/53/13/570875313.db2.gz IRVDBZACYVAZGM-UHFFFAOYSA-N 1 2 381.407 3.511 50 0 GHAALO COc1cc(C[N@H+]2CCc3[nH]nc(-c4ccccc4F)c3C2)cc2c1OCO2 ZINC000015063586 570875317 /nfs/dbraw/zinc/87/53/17/570875317.db2.gz IRVDBZACYVAZGM-UHFFFAOYSA-N 1 2 381.407 3.511 50 0 GHAALO Cc1ccc(C(=O)c2ccccc2C(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000012577229 570875741 /nfs/dbraw/zinc/87/57/41/570875741.db2.gz HSPKMJBXHQHATG-UHFFFAOYSA-N 1 2 383.451 3.846 50 0 GHAALO Cc1noc(CSc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccccc2)n1 ZINC000012606457 570889165 /nfs/dbraw/zinc/88/91/65/570889165.db2.gz DBXUFNHRTVOHAR-CQSZACIVSA-N 1 2 384.509 3.798 50 0 GHAALO Cc1ccc(C)c(S(=O)(=O)CC[N@@H+](C)Cc2ccccc2N2CCCC2)c1 ZINC000015573789 570897597 /nfs/dbraw/zinc/89/75/97/570897597.db2.gz SHKZDQCXXCBFKO-UHFFFAOYSA-N 1 2 386.561 3.809 50 0 GHAALO Cc1ccc(C)c(S(=O)(=O)CC[N@H+](C)Cc2ccccc2N2CCCC2)c1 ZINC000015573789 570897600 /nfs/dbraw/zinc/89/76/00/570897600.db2.gz SHKZDQCXXCBFKO-UHFFFAOYSA-N 1 2 386.561 3.809 50 0 GHAALO CC[N@H+](CCCNS(=O)(=O)c1ccccc1Br)c1ccccc1 ZINC000015364903 570905045 /nfs/dbraw/zinc/90/50/45/570905045.db2.gz FKEAKQKEOIJAIH-UHFFFAOYSA-N 1 2 397.338 3.644 50 0 GHAALO CC[N@@H+](CCCNS(=O)(=O)c1ccccc1Br)c1ccccc1 ZINC000015364903 570905048 /nfs/dbraw/zinc/90/50/48/570905048.db2.gz FKEAKQKEOIJAIH-UHFFFAOYSA-N 1 2 397.338 3.644 50 0 GHAALO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN(C)c1ccc([NH+](C)C)cc1 ZINC000089642659 570908161 /nfs/dbraw/zinc/90/81/61/570908161.db2.gz UPSPBTBFHYEFCI-UHFFFAOYSA-N 1 2 391.519 3.938 50 0 GHAALO Cc1cc2ccccc2n1CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000016103591 570913642 /nfs/dbraw/zinc/91/36/42/570913642.db2.gz TXJAHODJLZSLPB-UHFFFAOYSA-N 1 2 391.519 3.520 50 0 GHAALO Cc1onc(-c2ccccc2)c1C(=O)N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000016605844 570928732 /nfs/dbraw/zinc/92/87/32/570928732.db2.gz KYTVTDQYZGTEQN-UHFFFAOYSA-N 1 2 375.472 3.916 50 0 GHAALO CC(C)Oc1ccc(C[NH2+][C@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 ZINC000263619519 570955811 /nfs/dbraw/zinc/95/58/11/570955811.db2.gz ZBAFUJMXCKLZMA-OAQYLSRUSA-N 1 2 394.450 3.508 50 0 GHAALO C[C@H]1CN(c2ccc(CNC(=O)CCCc3ccc(Cl)cc3)c[nH+]2)CCO1 ZINC000044552984 570975407 /nfs/dbraw/zinc/97/54/07/570975407.db2.gz HCNDZHTVSQDZSH-INIZCTEOSA-N 1 2 387.911 3.599 50 0 GHAALO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000252536144 570990680 /nfs/dbraw/zinc/99/06/80/570990680.db2.gz HQZFVDFNQPNTMR-ZDUSSCGKSA-N 1 2 382.464 3.947 50 0 GHAALO C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000252536144 570990682 /nfs/dbraw/zinc/99/06/82/570990682.db2.gz HQZFVDFNQPNTMR-ZDUSSCGKSA-N 1 2 382.464 3.947 50 0 GHAALO CC(C)c1ccc(-n2cc(C[N@@H+]3CC[C@H]([NH+](C)C)[C@H](CCC(=O)[O-])C3)cn2)cc1 ZINC000091643361 571020832 /nfs/dbraw/zinc/02/08/32/571020832.db2.gz DLLOGBLMBNDCND-IRLDBZIGSA-N 1 2 398.551 3.613 50 0 GHAALO CC(C)c1ccc(-n2cc(C[N@H+]3CC[C@H]([NH+](C)C)[C@H](CCC(=O)[O-])C3)cn2)cc1 ZINC000091643361 571020833 /nfs/dbraw/zinc/02/08/33/571020833.db2.gz DLLOGBLMBNDCND-IRLDBZIGSA-N 1 2 398.551 3.613 50 0 GHAALO COc1ccccc1[C@H]1C[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000109581846 571023383 /nfs/dbraw/zinc/02/33/83/571023383.db2.gz FGMUIGJKPMRWPK-WOJBJXKFSA-N 1 2 391.471 3.849 50 0 GHAALO O=C(CCc1ccsc1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095501057 571076356 /nfs/dbraw/zinc/07/63/56/571076356.db2.gz DNDRNGFWJJFIPZ-GOSISDBHSA-N 1 2 380.517 3.727 50 0 GHAALO CC(C)(C)n1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)c1 ZINC000095508948 571080255 /nfs/dbraw/zinc/08/02/55/571080255.db2.gz MJMIQXPLZJXQLR-GOSISDBHSA-N 1 2 391.519 3.903 50 0 GHAALO O=C(c1c[nH]c(=O)c2ccccc12)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095509053 571080376 /nfs/dbraw/zinc/08/03/76/571080376.db2.gz JREVJEGNZIWMSI-KRWDZBQOSA-N 1 2 390.487 3.545 50 0 GHAALO O=C(c1cc(F)ccc1F)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095516518 571084024 /nfs/dbraw/zinc/08/40/24/571084024.db2.gz DDQXKADJWXSCFD-MRXNPFEDSA-N 1 2 382.414 3.624 50 0 GHAALO O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095517827 571084601 /nfs/dbraw/zinc/08/46/01/571084601.db2.gz HUENGFLFQDWPSO-FCHUYYIVSA-N 1 2 386.499 3.836 50 0 GHAALO CCn1c(C)cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c1C ZINC000095520163 571086479 /nfs/dbraw/zinc/08/64/79/571086479.db2.gz VBJHFNSAXZINCJ-QGZVFWFLSA-N 1 2 397.548 3.846 50 0 GHAALO O=C(CCc1ccccc1)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095526732 571091020 /nfs/dbraw/zinc/09/10/20/571091020.db2.gz CUODIQUVSBTUNK-GOSISDBHSA-N 1 2 380.517 3.727 50 0 GHAALO Cc1c[nH+]c(C2CN(C(=O)Nc3cc(C)ccc3C)C2)n1Cc1ccncc1 ZINC000257174793 838681780 /nfs/dbraw/zinc/68/17/80/838681780.db2.gz KUXDUOFWNZOMSY-UHFFFAOYSA-N 1 2 375.476 3.883 50 0 GHAALO CCOc1ccc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)nc1 ZINC000079051163 845567210 /nfs/dbraw/zinc/56/72/10/845567210.db2.gz XNTXGPNRLBSIAR-UHFFFAOYSA-N 1 2 395.532 3.949 50 0 GHAALO C[C@H]1CCC[C@@H](c2ccccc2)[N@@H+]1Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000079059006 846018963 /nfs/dbraw/zinc/01/89/63/846018963.db2.gz ZKODRGLTEMAKPS-HOCLYGCPSA-N 1 2 393.516 3.758 50 0 GHAALO C[C@H]1CCC[C@@H](c2ccccc2)[N@H+]1Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000079059006 846018966 /nfs/dbraw/zinc/01/89/66/846018966.db2.gz ZKODRGLTEMAKPS-HOCLYGCPSA-N 1 2 393.516 3.758 50 0 GHAALO COCCn1c(-c2ccncc2)nn(C[N@H+](Cc2ccccc2)C(C)C)c1=S ZINC000003253019 862284009 /nfs/dbraw/zinc/28/40/09/862284009.db2.gz FUNNFLQKFVKZCU-UHFFFAOYSA-N 1 2 397.548 3.991 50 0 GHAALO COCCn1c(-c2ccncc2)nn(C[N@@H+](Cc2ccccc2)C(C)C)c1=S ZINC000003253019 862284026 /nfs/dbraw/zinc/28/40/26/862284026.db2.gz FUNNFLQKFVKZCU-UHFFFAOYSA-N 1 2 397.548 3.991 50 0 GHAALO Cc1n[nH]c(C2CC[NH+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC2)n1 ZINC000328590540 860176610 /nfs/dbraw/zinc/17/66/10/860176610.db2.gz UCPNVVSPNYNOLV-FQEVSTJZSA-N 1 2 393.466 3.812 50 0 GHAALO Cc1nc(C2CC[NH+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC2)n[nH]1 ZINC000328590540 860176618 /nfs/dbraw/zinc/17/66/18/860176618.db2.gz UCPNVVSPNYNOLV-FQEVSTJZSA-N 1 2 393.466 3.812 50 0 GHAALO Cc1c(C2N3CC4(C(C)C)C[NH+]2CC(C(C)C)(C3)C4=O)c2ccccc2n1C ZINC000019320189 860187567 /nfs/dbraw/zinc/18/75/67/860187567.db2.gz FKFWIXWBKGTGMI-UHFFFAOYSA-N 1 2 379.548 3.984 50 0 biogenic GHAALO CCCc1nc(-n2cccc2)sc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095472665 860597906 /nfs/dbraw/zinc/59/79/06/860597906.db2.gz PQRCDTZINSKXOL-UHFFFAOYSA-N 1 2 394.544 3.844 50 0 GHAALO CC[C@H](C)NC(=O)C1CCN(c2cc(C)c3cc(NC(C)=O)ccc3[nH+]2)CC1 ZINC000021703974 860911897 /nfs/dbraw/zinc/91/18/97/860911897.db2.gz TVIHLFVQWLAKEI-HNNXBMFYSA-N 1 2 382.508 3.633 50 0 GHAALO C[C@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000022460011 861126676 /nfs/dbraw/zinc/12/66/76/861126676.db2.gz CBSHKRGBEYFKGH-KBXCAEBGSA-N 1 2 377.941 3.509 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 ZINC000581805504 870025393 /nfs/dbraw/zinc/02/53/93/870025393.db2.gz AYRFFZBWYVHXNQ-LJQANCHMSA-N 1 2 394.450 3.635 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@H]1CCCN(C(=O)COCc2ccccc2)C1 ZINC000581806277 870029385 /nfs/dbraw/zinc/02/93/85/870029385.db2.gz OEQLWLZOJNAQOX-NRFANRHFSA-N 1 2 390.487 3.634 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1C[C@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000581807718 870038426 /nfs/dbraw/zinc/03/84/26/870038426.db2.gz MPXWAHZQOOHAFJ-FQEVSTJZSA-N 1 2 389.503 3.875 50 0 GHAALO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022774307 872308426 /nfs/dbraw/zinc/30/84/26/872308426.db2.gz KFDSRYMGECQPKP-AZHXHMFBSA-N 1 2 389.543 3.684 50 0 GHAALO Cc1ccc(-c2cc(C[N@@H+]3CCc4ccc(S(C)(=O)=O)cc4CC3)on2)cc1 ZINC000585080567 897029385 /nfs/dbraw/zinc/02/93/85/897029385.db2.gz KLRKOVIAHVJVRY-UHFFFAOYSA-N 1 2 396.512 3.654 50 0 GHAALO Cc1ccc(-c2cc(C[N@H+]3CCc4ccc(S(C)(=O)=O)cc4CC3)on2)cc1 ZINC000585080567 897029400 /nfs/dbraw/zinc/02/94/00/897029400.db2.gz KLRKOVIAHVJVRY-UHFFFAOYSA-N 1 2 396.512 3.654 50 0 GHAALO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ncccc2C)CC1 ZINC000585084805 897193280 /nfs/dbraw/zinc/19/32/80/897193280.db2.gz LMODRYLONORAJZ-QGZVFWFLSA-N 1 2 383.492 3.577 50 0 GHAALO O=C(NCc1cc(-c2ccco2)on1)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000952965841 904644407 /nfs/dbraw/zinc/64/44/07/904644407.db2.gz UMZAFPMRCGRWIB-HXUWFJFHSA-N 1 2 383.423 3.917 50 0 GHAALO COc1ccccc1Oc1ccc(NC(=O)CC[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000952990999 904677017 /nfs/dbraw/zinc/67/70/17/904677017.db2.gz YWHBLLLTZZUMSR-GOSISDBHSA-N 1 2 397.519 3.842 50 0 GHAALO Cc1c(C(=O)N(C)Cc2[nH+]ccn2C)c(-c2ccccc2)nn1-c1ccccc1 ZINC000426503410 231231100 /nfs/dbraw/zinc/23/11/00/231231100.db2.gz DNERRFRDCUFETR-UHFFFAOYSA-N 1 2 385.471 3.853 50 0 GHAALO O=C(NCc1cc(C(F)(F)F)ccc1F)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000426534331 231236910 /nfs/dbraw/zinc/23/69/10/231236910.db2.gz BJNWCQGVNOKRPV-UHFFFAOYSA-N 1 2 384.377 3.663 50 0 GHAALO CCc1cc(N(C)C)nc(SCc2ccc(C(=O)NCc3ccco3)cc2)[nH+]1 ZINC000006802300 204208206 /nfs/dbraw/zinc/20/82/06/204208206.db2.gz KSRRMHAAXYZTAM-UHFFFAOYSA-N 1 2 396.516 3.920 50 0 GHAALO Cc1cccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)CC(C)C)CC2)c1 ZINC000006776243 204203278 /nfs/dbraw/zinc/20/32/78/204203278.db2.gz AIDMASHTHPZMGW-UHFFFAOYSA-N 1 2 380.536 3.687 50 0 GHAALO Cc1cc(N)nc(SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)[nH+]1 ZINC000007049357 204231425 /nfs/dbraw/zinc/23/14/25/204231425.db2.gz CVTUCZURFVVFMT-GOSISDBHSA-N 1 2 378.501 3.560 50 0 GHAALO C[C@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)N1CCCCCC1 ZINC000008315910 204271828 /nfs/dbraw/zinc/27/18/28/204271828.db2.gz JBEYHTLSAMFVFH-HNNXBMFYSA-N 1 2 381.505 3.699 50 0 GHAALO COc1ccccc1C(=O)c1c2c(sc1NC(=O)Cn1cc[nH+]c1)CCCC2 ZINC000010809678 204339667 /nfs/dbraw/zinc/33/96/67/204339667.db2.gz RAJOCZHRPHNOAP-UHFFFAOYSA-N 1 2 395.484 3.702 50 0 GHAALO CC(C)c1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000036708263 204324093 /nfs/dbraw/zinc/32/40/93/204324093.db2.gz KZTNJJJONSHYTE-UHFFFAOYSA-N 1 2 394.523 3.554 50 0 GHAALO CC(C)c1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000036708263 204324097 /nfs/dbraw/zinc/32/40/97/204324097.db2.gz KZTNJJJONSHYTE-UHFFFAOYSA-N 1 2 394.523 3.554 50 0 GHAALO C[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009836802 204324485 /nfs/dbraw/zinc/32/44/85/204324485.db2.gz ILPOBLXCWJMCHJ-AWEZNQCLSA-N 1 2 393.472 3.794 50 0 GHAALO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000009115946 204300300 /nfs/dbraw/zinc/30/03/00/204300300.db2.gz CPONVLITZGNCSG-HXUWFJFHSA-N 1 2 395.459 3.780 50 0 GHAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000011817949 204353554 /nfs/dbraw/zinc/35/35/54/204353554.db2.gz HAQRRLRYJLZVHJ-GOSISDBHSA-N 1 2 396.441 3.931 50 0 GHAALO CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000012544358 204420471 /nfs/dbraw/zinc/42/04/71/204420471.db2.gz KQBGFKZIOIIKEJ-UHFFFAOYSA-N 1 2 397.500 3.809 50 0 GHAALO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024302059 204819668 /nfs/dbraw/zinc/81/96/68/204819668.db2.gz KCPXRRLSJQDXPP-UHFFFAOYSA-N 1 2 391.298 3.886 50 0 GHAALO CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)o2)cc1 ZINC000032962529 204935650 /nfs/dbraw/zinc/93/56/50/204935650.db2.gz KUHSBZJVOQGXTQ-UHFFFAOYSA-N 1 2 375.428 3.507 50 0 GHAALO COc1cccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COc2ccccc2)c1OC ZINC000036103592 205005491 /nfs/dbraw/zinc/00/54/91/205005491.db2.gz GBBNSBSWGVVLHN-LJQANCHMSA-N 1 2 397.471 3.739 50 0 GHAALO COc1cccc(C[N@H+](Cc2ccco2)C[C@@H](O)COc2ccccc2)c1OC ZINC000036103592 205005494 /nfs/dbraw/zinc/00/54/94/205005494.db2.gz GBBNSBSWGVVLHN-LJQANCHMSA-N 1 2 397.471 3.739 50 0 GHAALO COc1ccc(-c2nc(CSc3[nH+]cnc4c3cnn4C)cs2)c(OC)c1 ZINC000036397052 205015792 /nfs/dbraw/zinc/01/57/92/205015792.db2.gz FKHZQJNYAIXODJ-UHFFFAOYSA-N 1 2 399.501 3.796 50 0 GHAALO CC(C)c1ccccc1NC(=O)C1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000070638062 205023722 /nfs/dbraw/zinc/02/37/22/205023722.db2.gz FXIFUXDYLXSGEW-UHFFFAOYSA-N 1 2 390.491 3.641 50 0 GHAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)NCc1ccccc1Cl ZINC000057369446 205156530 /nfs/dbraw/zinc/15/65/30/205156530.db2.gz IQOYQUSNIFZETD-INIZCTEOSA-N 1 2 378.925 3.699 50 0 GHAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)NCc1ccccc1Cl ZINC000057369446 205156532 /nfs/dbraw/zinc/15/65/32/205156532.db2.gz IQOYQUSNIFZETD-INIZCTEOSA-N 1 2 378.925 3.699 50 0 GHAALO COc1ccc(F)cc1C[NH+]1CCN(c2ncnc3sc(C)c(C)c32)CC1 ZINC000057562957 205160005 /nfs/dbraw/zinc/16/00/05/205160005.db2.gz ZNKCBZNFAYXWPX-UHFFFAOYSA-N 1 2 386.496 3.778 50 0 GHAALO Cc1nonc1[C@H]1CCC[N@H+]1Cc1ccc(C(=O)Nc2c(C)noc2C)cc1 ZINC000065384593 205233250 /nfs/dbraw/zinc/23/32/50/205233250.db2.gz QRZQDAQKIZPJRA-QGZVFWFLSA-N 1 2 381.436 3.572 50 0 GHAALO Cc1nonc1[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)Nc2c(C)noc2C)cc1 ZINC000065384593 205233256 /nfs/dbraw/zinc/23/32/56/205233256.db2.gz QRZQDAQKIZPJRA-QGZVFWFLSA-N 1 2 381.436 3.572 50 0 GHAALO O=C(Nc1ccc[nH]c1=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000065489094 205236559 /nfs/dbraw/zinc/23/65/59/205236559.db2.gz HGVPPPHUJOMCCQ-UHFFFAOYSA-N 1 2 376.441 3.567 50 0 GHAALO CN(Cc1[nH]cc[nH+]1)Cc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 ZINC000065531834 205237901 /nfs/dbraw/zinc/23/79/01/205237901.db2.gz PYHGMGXNSGOTFY-UHFFFAOYSA-N 1 2 377.473 3.904 50 0 GHAALO C[N@H+](Cc1ncc[nH]1)Cc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 ZINC000065531834 205237903 /nfs/dbraw/zinc/23/79/03/205237903.db2.gz PYHGMGXNSGOTFY-UHFFFAOYSA-N 1 2 377.473 3.904 50 0 GHAALO C[N@@H+](Cc1ncc[nH]1)Cc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1 ZINC000065531834 205237906 /nfs/dbraw/zinc/23/79/06/205237906.db2.gz PYHGMGXNSGOTFY-UHFFFAOYSA-N 1 2 377.473 3.904 50 0 GHAALO Cc1ccc(-n2cc(CN3CCc4[nH+]c[nH]c4[C@H]3c3ccncc3)cn2)cc1C ZINC000067885114 205266489 /nfs/dbraw/zinc/26/64/89/205266489.db2.gz WAQYJYLAKHKBQT-HSZRJFAPSA-N 1 2 384.487 3.755 50 0 GHAALO CCN(C)C(=O)C[N@@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067946780 205267935 /nfs/dbraw/zinc/26/79/35/205267935.db2.gz AZCYYQAVQGGNFE-UHFFFAOYSA-N 1 2 389.499 3.691 50 0 GHAALO CCN(C)C(=O)C[N@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067946780 205267940 /nfs/dbraw/zinc/26/79/40/205267940.db2.gz AZCYYQAVQGGNFE-UHFFFAOYSA-N 1 2 389.499 3.691 50 0 GHAALO O=C(c1cccc(Cn2cccn2)c1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000077427312 205361866 /nfs/dbraw/zinc/36/18/66/205361866.db2.gz MTGDQQRDFJNRFI-UHFFFAOYSA-N 1 2 394.906 3.543 50 0 GHAALO Cn1cc[nH+]c1-c1ccccc1C(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000077424694 205362645 /nfs/dbraw/zinc/36/26/45/205362645.db2.gz DGGASYVVSAPHHJ-QFIPXVFZSA-N 1 2 389.499 3.543 50 0 GHAALO O=C(Cc1cccc(O)c1)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000082127230 205388395 /nfs/dbraw/zinc/38/83/95/205388395.db2.gz XFACQZGMNCPGGY-UHFFFAOYSA-N 1 2 375.472 3.586 50 0 GHAALO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027307347 206009876 /nfs/dbraw/zinc/00/98/76/206009876.db2.gz RFAOLUAHZHUXBQ-LBPRGKRZSA-N 1 2 398.429 3.852 50 0 GHAALO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027307347 206009881 /nfs/dbraw/zinc/00/98/81/206009881.db2.gz RFAOLUAHZHUXBQ-LBPRGKRZSA-N 1 2 398.429 3.852 50 0 GHAALO CC1CCN(c2ccc(CNC(=O)C3(C(=O)c4ccccc4)CC3)c[nH+]2)CC1 ZINC000225581467 206059481 /nfs/dbraw/zinc/05/94/81/206059481.db2.gz GGKWJIWJTFUDIC-UHFFFAOYSA-N 1 2 377.488 3.597 50 0 GHAALO Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000096097134 206114549 /nfs/dbraw/zinc/11/45/49/206114549.db2.gz LZVKIZLWCVSVPM-UHFFFAOYSA-N 1 2 389.434 3.679 50 0 GHAALO O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000252480466 206138462 /nfs/dbraw/zinc/13/84/62/206138462.db2.gz CARJWYQUUWWKPG-NRFANRHFSA-N 1 2 382.895 3.866 50 0 GHAALO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000058167733 136154738 /nfs/dbraw/zinc/15/47/38/136154738.db2.gz PXMAUVYQLMHODD-CYBMUJFWSA-N 1 2 394.302 3.848 50 0 GHAALO Cc1oc(-c2ccco2)nc1C[NH+]1CCN(c2ncnc3ccccc32)CC1 ZINC000065424741 136163820 /nfs/dbraw/zinc/16/38/20/136163820.db2.gz ZDPDDGCEHXYQBX-UHFFFAOYSA-N 1 2 375.432 3.508 50 0 GHAALO COc1ccccc1N1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000089473928 136175584 /nfs/dbraw/zinc/17/55/84/136175584.db2.gz QVSUXZWXBSYQSF-SFHVURJKSA-N 1 2 385.895 3.664 50 0 GHAALO CCC(=O)N1CCN(c2nc(C)[nH+]c(C(C)C)c2Cc2ccc(F)cc2)CC1 ZINC000096317699 136186450 /nfs/dbraw/zinc/18/64/50/136186450.db2.gz IMKIKAUGCVYEPG-UHFFFAOYSA-N 1 2 384.499 3.697 50 0 GHAALO Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)nc(C(C)C)[nH+]1 ZINC000016103550 136202004 /nfs/dbraw/zinc/20/20/04/136202004.db2.gz NZICXGLLGMTLNS-UHFFFAOYSA-N 1 2 376.863 3.663 50 0 GHAALO CC(C)c1nc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc[nH+]1 ZINC000110220853 534907397 /nfs/dbraw/zinc/90/73/97/534907397.db2.gz DLMLQBQLBOWXSN-UHFFFAOYSA-N 1 2 378.398 3.581 50 0 GHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)NCc3cccc(F)c3)C2)nc[nH+]1 ZINC000065242449 535192952 /nfs/dbraw/zinc/19/29/52/535192952.db2.gz MYCFVWLBWGZLEY-KRWDZBQOSA-N 1 2 399.514 3.751 50 0 GHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)NCc3cccc(F)c3)C2)[nH+]cn1 ZINC000065242449 535192959 /nfs/dbraw/zinc/19/29/59/535192959.db2.gz MYCFVWLBWGZLEY-KRWDZBQOSA-N 1 2 399.514 3.751 50 0 GHAALO COc1cc(C[N@@H+]2CCCCC[C@@H]2c2c(Cl)cnn2C)cc(OC)c1O ZINC000012120276 570228678 /nfs/dbraw/zinc/22/86/78/570228678.db2.gz SUFZMCNPHVAWSF-OAHLLOKOSA-N 1 2 379.888 3.914 50 0 GHAALO COc1cc(C[N@H+]2CCCCC[C@@H]2c2c(Cl)cnn2C)cc(OC)c1O ZINC000012120276 570228679 /nfs/dbraw/zinc/22/86/79/570228679.db2.gz SUFZMCNPHVAWSF-OAHLLOKOSA-N 1 2 379.888 3.914 50 0 GHAALO O=C(c1csc2ccccc12)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020038394 570236491 /nfs/dbraw/zinc/23/64/91/570236491.db2.gz KLJQKAYZTOJXRW-UHFFFAOYSA-N 1 2 380.469 3.588 50 0 GHAALO CCCCCn1c2ccccc2n(C[C@@H](O)COc2ccccc2OC)c1=[NH2+] ZINC000020292970 570251896 /nfs/dbraw/zinc/25/18/96/570251896.db2.gz WOFILWXIKKUJDP-QGZVFWFLSA-N 1 2 383.492 3.561 50 0 GHAALO COc1ccccc1-c1cccc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)c1 ZINC000097766307 570254008 /nfs/dbraw/zinc/25/40/08/570254008.db2.gz RYJOFQWESIHEOL-UHFFFAOYSA-N 1 2 383.492 3.595 50 0 GHAALO Cc1cccc2c(C)cc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)[nH+]c12 ZINC000001402689 570262086 /nfs/dbraw/zinc/26/20/86/570262086.db2.gz QGNBRAIIMDTAAB-UHFFFAOYSA-N 1 2 399.491 3.502 50 0 GHAALO O=C(C[NH+]1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)Nc1ccc(F)cc1 ZINC000049403414 570264397 /nfs/dbraw/zinc/26/43/97/570264397.db2.gz KQLOSAFNIALKJY-UHFFFAOYSA-N 1 2 398.413 3.833 50 0 GHAALO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000012852396 570266542 /nfs/dbraw/zinc/26/65/42/570266542.db2.gz YCMXYKORSXZLJU-SNVBAGLBSA-N 1 2 393.274 3.622 50 0 GHAALO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000012852396 570266544 /nfs/dbraw/zinc/26/65/44/570266544.db2.gz YCMXYKORSXZLJU-SNVBAGLBSA-N 1 2 393.274 3.622 50 0 GHAALO FC(F)(F)Oc1ccccc1C[NH+]1CC(c2nc(-c3cccnc3)no2)C1 ZINC000049483603 570267945 /nfs/dbraw/zinc/26/79/45/570267945.db2.gz BJDUVBRWMCVHBY-UHFFFAOYSA-N 1 2 376.338 3.630 50 0 GHAALO O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@@H](c1cccc(Cl)c1)[N@H+]1CSC[C@H]21 ZINC000100910777 570278885 /nfs/dbraw/zinc/27/88/85/570278885.db2.gz KRCZASBHGOCUQV-XMTFNYHQSA-N 1 2 384.888 3.575 50 0 GHAALO O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@@H](c1cccc(Cl)c1)[N@@H+]1CSC[C@H]21 ZINC000100910777 570278887 /nfs/dbraw/zinc/27/88/87/570278887.db2.gz KRCZASBHGOCUQV-XMTFNYHQSA-N 1 2 384.888 3.575 50 0 GHAALO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(F)cc1Cl ZINC000012889798 570285952 /nfs/dbraw/zinc/28/59/52/570285952.db2.gz PJDJOXOOALZHEW-UHFFFAOYSA-N 1 2 395.906 3.532 50 0 GHAALO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000020997446 570286755 /nfs/dbraw/zinc/28/67/55/570286755.db2.gz YPHYRSQXHLSFHI-QGZVFWFLSA-N 1 2 391.427 3.560 50 0 GHAALO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000020997446 570286756 /nfs/dbraw/zinc/28/67/56/570286756.db2.gz YPHYRSQXHLSFHI-QGZVFWFLSA-N 1 2 391.427 3.560 50 0 GHAALO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000021149665 570288542 /nfs/dbraw/zinc/28/85/42/570288542.db2.gz WJWBFARTAIGJPD-IBGZPJMESA-N 1 2 395.547 3.533 50 0 GHAALO Cc1sc2ncnc(NC[C@@H](c3ccc(F)cc3)[NH+]3CCOCC3)c2c1C ZINC000023381275 570359595 /nfs/dbraw/zinc/35/95/95/570359595.db2.gz HMJPLHFOCBVOPJ-KRWDZBQOSA-N 1 2 386.496 3.933 50 0 GHAALO CC(C)[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)[NH+]1CCOCC1 ZINC000012978387 570385657 /nfs/dbraw/zinc/38/56/57/570385657.db2.gz GHVBVQBSOQCJKG-QGZVFWFLSA-N 1 2 376.884 3.687 50 0 GHAALO O=C1[C@H]2[C@H](c3cccc(Cl)c3)[N@H+]3CSC[C@@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000221543321 570396172 /nfs/dbraw/zinc/39/61/72/570396172.db2.gz KRCZASBHGOCUQV-TVFCKZIOSA-N 1 2 384.888 3.575 50 0 GHAALO O=C1[C@H]2[C@H](c3cccc(Cl)c3)[N@@H+]3CSC[C@@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000221543321 570396174 /nfs/dbraw/zinc/39/61/74/570396174.db2.gz KRCZASBHGOCUQV-TVFCKZIOSA-N 1 2 384.888 3.575 50 0 GHAALO Cc1c(C)n(C[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c2ccc(F)cc12 ZINC000028297186 570457633 /nfs/dbraw/zinc/45/76/33/570457633.db2.gz XQCJBSBZLWMDLH-JOCHJYFZSA-N 1 2 395.522 3.576 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCCSc1ccccc1)c1ccccc1F ZINC000029325758 570472191 /nfs/dbraw/zinc/47/21/91/570472191.db2.gz XBRPPRAQWIPVIW-SFHVURJKSA-N 1 2 384.480 3.740 50 0 GHAALO Cc1ccc(OCCNC(=O)[C@H](c2cc(Br)cs2)[NH+](C)C)cc1 ZINC000072306998 570524757 /nfs/dbraw/zinc/52/47/57/570524757.db2.gz QRDRRCALPIEOEH-INIZCTEOSA-N 1 2 397.338 3.617 50 0 GHAALO COc1cccc(C[NH+]2CCN(C(=O)c3cc(F)c(F)cc3Cl)CC2)c1 ZINC000016602326 570774646 /nfs/dbraw/zinc/77/46/46/570774646.db2.gz KVHLWKBLGMMOBM-UHFFFAOYSA-N 1 2 380.822 3.585 50 0 GHAALO Cc1cc2nc(N(CCC[NH+]3CCOCC3)C(=O)c3ccco3)sc2c(C)c1 ZINC000022997801 570775315 /nfs/dbraw/zinc/77/53/15/570775315.db2.gz IUFDJBYASQHPHX-UHFFFAOYSA-N 1 2 399.516 3.875 50 0 GHAALO O=C(NCCc1ccccc1)[C@@H]1CCCN(c2[nH]c3ccc(Cl)cc3[nH+]2)C1 ZINC000033071456 570802890 /nfs/dbraw/zinc/80/28/90/570802890.db2.gz DEAYEVNLNRCZRB-MRXNPFEDSA-N 1 2 382.895 3.792 50 0 GHAALO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3sc(N(C)C)nc3Cl)C2)c1 ZINC000014967332 570867575 /nfs/dbraw/zinc/86/75/75/570867575.db2.gz LNBSBQYXCCSHHD-AWEZNQCLSA-N 1 2 393.940 3.966 50 0 GHAALO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3sc(N(C)C)nc3Cl)C2)c1 ZINC000014967332 570867579 /nfs/dbraw/zinc/86/75/79/570867579.db2.gz LNBSBQYXCCSHHD-AWEZNQCLSA-N 1 2 393.940 3.966 50 0 GHAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=S)Nc2ccccc2)CC1 ZINC000022457004 570896257 /nfs/dbraw/zinc/89/62/57/570896257.db2.gz KRADHUQCGOYLCW-VQIMIIECSA-N 1 2 388.606 3.802 50 0 GHAALO CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000015547575 570896393 /nfs/dbraw/zinc/89/63/93/570896393.db2.gz MXLIIUFPMRHKER-QGZVFWFLSA-N 1 2 387.505 3.663 50 0 GHAALO CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000015547575 570896396 /nfs/dbraw/zinc/89/63/96/570896396.db2.gz MXLIIUFPMRHKER-QGZVFWFLSA-N 1 2 387.505 3.663 50 0 GHAALO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000089633277 570907846 /nfs/dbraw/zinc/90/78/46/570907846.db2.gz SGUHRYLHYYQPOF-UHFFFAOYSA-N 1 2 385.899 3.560 50 0 GHAALO Cc1nc(-c2cccc(C(=O)NC[C@H](C)n3cc[nH+]c3)c2)nc2c1CCCC2 ZINC000534632053 570910405 /nfs/dbraw/zinc/91/04/05/570910405.db2.gz GGDZAEPNHRZGPZ-HNNXBMFYSA-N 1 2 375.476 3.518 50 0 GHAALO COc1ccccc1C(=O)Nc1ccc(Nc2nc(N(C)C)cc(C)[nH+]2)cc1 ZINC000017013578 570924268 /nfs/dbraw/zinc/92/42/68/570924268.db2.gz CKVGOCKCUGXYRR-UHFFFAOYSA-N 1 2 377.448 3.856 50 0 GHAALO C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182601 570941529 /nfs/dbraw/zinc/94/15/29/570941529.db2.gz KXFMHIHVGCYSHZ-CXAGYDPISA-N 1 2 379.913 3.985 50 0 GHAALO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H](C)C(=O)Nc4cc(C)on4)CC3)c2c1 ZINC000047257376 570950757 /nfs/dbraw/zinc/95/07/57/570950757.db2.gz BJBXSLDTMRGIEH-CQSZACIVSA-N 1 2 380.448 3.589 50 0 GHAALO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H](C)C(=O)Nc4cc(C)on4)CC3)c2c1 ZINC000047257376 570950760 /nfs/dbraw/zinc/95/07/60/570950760.db2.gz BJBXSLDTMRGIEH-CQSZACIVSA-N 1 2 380.448 3.589 50 0 GHAALO O=C(NCc1ccccc1F)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000034684757 570986663 /nfs/dbraw/zinc/98/66/63/570986663.db2.gz SOHFBCVIJOKPIB-UHFFFAOYSA-N 1 2 393.462 3.671 50 0 GHAALO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+](C)Cc1ccccc1Cl ZINC000012771205 571025195 /nfs/dbraw/zinc/02/51/95/571025195.db2.gz RFTJBRQOOHCQLN-UHFFFAOYSA-N 1 2 394.302 3.522 50 0 GHAALO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+](C)Cc1ccccc1Cl ZINC000012771205 571025197 /nfs/dbraw/zinc/02/51/97/571025197.db2.gz RFTJBRQOOHCQLN-UHFFFAOYSA-N 1 2 394.302 3.522 50 0 GHAALO COc1cc2c(cc1C(=O)N1CCC(c3[nH+]ccn3CC3CC3)CC1)CCC2 ZINC000095498854 571075355 /nfs/dbraw/zinc/07/53/55/571075355.db2.gz YAQGYXZJRUOGOQ-UHFFFAOYSA-N 1 2 379.504 3.810 50 0 GHAALO O=C(c1cncc(Cl)c1)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095501157 571076365 /nfs/dbraw/zinc/07/63/65/571076365.db2.gz QMDCVOACQIWLPQ-UHFFFAOYSA-N 1 2 380.879 4.000 50 0 GHAALO O=C(c1nc2ccccc2[nH]1)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095504433 571077926 /nfs/dbraw/zinc/07/79/26/571077926.db2.gz YKTYFGFLHJGILT-UHFFFAOYSA-N 1 2 385.471 3.828 50 0 GHAALO Cc1cc(C(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)cc2sc(N)nc21 ZINC000095520904 571087205 /nfs/dbraw/zinc/08/72/05/571087205.db2.gz HOKACDMVRJZOCQ-UHFFFAOYSA-N 1 2 383.521 3.984 50 0 GHAALO Cc1c[nH+]c(CO[C@@H]2CCCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C2)n1C ZINC000257178112 838739679 /nfs/dbraw/zinc/73/96/79/838739679.db2.gz YVCYVDZUULMBMO-MRXNPFEDSA-N 1 2 386.883 3.685 50 0 GHAALO Cn1cc(Nc2cccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3cccnc3)c2)cn1 ZINC000078968638 839935985 /nfs/dbraw/zinc/93/59/85/839935985.db2.gz APWKNWUHHBWLRT-OAQYLSRUSA-N 1 2 390.491 3.552 50 0 GHAALO Cn1cc(Nc2cccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3cccnc3)c2)cn1 ZINC000078968638 839935991 /nfs/dbraw/zinc/93/59/91/839935991.db2.gz APWKNWUHHBWLRT-OAQYLSRUSA-N 1 2 390.491 3.552 50 0 GHAALO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[NH+]1CCCC1 ZINC000003237853 862273338 /nfs/dbraw/zinc/27/33/38/862273338.db2.gz IVUTVPMJUYXZHW-UHFFFAOYSA-N 1 2 376.453 3.765 50 0 GHAALO CC[N@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccc(Cl)s1 ZINC000009516729 857219721 /nfs/dbraw/zinc/21/97/21/857219721.db2.gz SFXNKPSRCGQTQQ-UHFFFAOYSA-N 1 2 397.953 3.511 50 0 GHAALO CC[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccc(Cl)s1 ZINC000009516729 857219731 /nfs/dbraw/zinc/21/97/31/857219731.db2.gz SFXNKPSRCGQTQQ-UHFFFAOYSA-N 1 2 397.953 3.511 50 0 GHAALO O=C(CCCn1cc[nH+]c1)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000096001304 860743488 /nfs/dbraw/zinc/74/34/88/860743488.db2.gz SEUOICKPDCROEV-GOSISDBHSA-N 1 2 379.464 3.857 50 0 GHAALO O=C(COc1cc(Cl)cc(Cl)c1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022517214 861140310 /nfs/dbraw/zinc/14/03/10/861140310.db2.gz VKFWEVMLJCEOSL-UHFFFAOYSA-N 1 2 395.286 3.843 50 0 GHAALO 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CCc1ccc(C[N@H+]2CCc3c(C(=O)NC[C@@H]4CCCCO4)csc3C2)nc1 ZINC000426594749 529644341 /nfs/dbraw/zinc/64/43/41/529644341.db2.gz AAZHDPDYXXRUAK-SFHVURJKSA-N 1 2 399.560 3.563 50 0 GHAALO CN(C)c1ccc(-c2ccc(C(=O)N3CCCC4(CCOCC4)C3)cc2)c[nH+]1 ZINC000426526001 529774160 /nfs/dbraw/zinc/77/41/60/529774160.db2.gz GRKYZBGJFNOFBL-UHFFFAOYSA-N 1 2 379.504 3.847 50 0 GHAALO CCn1cc[nH+]c1CN1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000011934066 206226383 /nfs/dbraw/zinc/22/63/83/206226383.db2.gz NEJXXIWJZOADOA-IBGZPJMESA-N 1 2 391.475 3.693 50 0 GHAALO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3-c3ccco3)C[C@H]2CCO)o1 ZINC000036385612 206264571 /nfs/dbraw/zinc/26/45/71/206264571.db2.gz YGCIICQNESNBAB-HXUWFJFHSA-N 1 2 380.488 3.917 50 0 GHAALO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3-c3ccco3)C[C@H]2CCO)o1 ZINC000036385612 206264574 /nfs/dbraw/zinc/26/45/74/206264574.db2.gz YGCIICQNESNBAB-HXUWFJFHSA-N 1 2 380.488 3.917 50 0 GHAALO CCOC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(C)CC1)C[C@@H](C)CC2 ZINC000000710241 206318354 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COc1ccc(N2C(=O)C[N@@H+](Cc3ccc(OC)c(O)c3)CC23CCCC3)cc1 ZINC000014994723 207038570 /nfs/dbraw/zinc/03/85/70/207038570.db2.gz GROBLEPHRCDRMC-UHFFFAOYSA-N 1 2 396.487 3.571 50 0 GHAALO O[C@@H](c1cccnc1)c1ccc2c(c1)C[N@@H+](Cc1cc(F)ccc1F)CCO2 ZINC000014998418 207039775 /nfs/dbraw/zinc/03/97/75/207039775.db2.gz MROHCLYOPVVYBT-JOCHJYFZSA-N 1 2 382.410 3.836 50 0 GHAALO O[C@@H](c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1cc(F)ccc1F)CCO2 ZINC000014998418 207039777 /nfs/dbraw/zinc/03/97/77/207039777.db2.gz MROHCLYOPVVYBT-JOCHJYFZSA-N 1 2 382.410 3.836 50 0 GHAALO Cc1ccc(S(=O)(=O)C[C@@H](CN2CCC(C)CC2)[NH+]2CCC(C)CC2)cc1 ZINC000019363726 207117936 /nfs/dbraw/zinc/11/79/36/207117936.db2.gz XNAOGRWKUALYNB-OAQYLSRUSA-N 1 2 392.609 3.601 50 0 GHAALO S=C(Nc1ccccc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019853111 207166203 /nfs/dbraw/zinc/16/62/03/207166203.db2.gz RBCOIYYQQCUIIQ-UHFFFAOYSA-N 1 2 389.908 3.583 50 0 GHAALO S=C(Nc1ccccc1Cl)N(CCC[NH+]1CCOCC1)Cc1ccco1 ZINC000020107921 207176984 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Cc1ccc(Cl)c(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000020357278 207189630 /nfs/dbraw/zinc/18/96/30/207189630.db2.gz NZSYIBUCASOREU-VMPITWQZSA-N 1 2 384.907 3.885 50 0 GHAALO Clc1cccc(C[NH+]2CCN(Cc3nc(CCc4ccccc4)no3)CC2)c1 ZINC000020451547 207193776 /nfs/dbraw/zinc/19/37/76/207193776.db2.gz VXTRYZOSFMWRMD-UHFFFAOYSA-N 1 2 396.922 3.826 50 0 GHAALO O=C(Nc1ccc(Br)cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000020534370 207200791 /nfs/dbraw/zinc/20/07/91/207200791.db2.gz PKKXLXRQARQDDE-UHFFFAOYSA-N 1 2 395.688 3.852 50 0 GHAALO COc1cc(-c2nc(C[NH+]3CCN(c4ccccn4)CC3)c(C)o2)ccc1F ZINC000020541259 207202485 /nfs/dbraw/zinc/20/24/85/207202485.db2.gz DDEYHWIUUUGNSW-UHFFFAOYSA-N 1 2 382.439 3.515 50 0 GHAALO CCOc1ccc(CN2CC[N@H+](Cc3cc4ccccc4[nH]3)C[C@@H]2CCO)cc1 ZINC000020540211 207202692 /nfs/dbraw/zinc/20/26/92/207202692.db2.gz HYVUSMHYYSUJIS-QFIPXVFZSA-N 1 2 393.531 3.635 50 0 GHAALO CCOc1ccc(CN2CC[N@@H+](Cc3cc4ccccc4[nH]3)C[C@@H]2CCO)cc1 ZINC000020540211 207202698 /nfs/dbraw/zinc/20/26/98/207202698.db2.gz HYVUSMHYYSUJIS-QFIPXVFZSA-N 1 2 393.531 3.635 50 0 GHAALO CC(C)(C)C1CCC(NC(=O)CN2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000022751936 207259060 /nfs/dbraw/zinc/25/90/60/207259060.db2.gz ZAWQWUCTHQZZCV-UHFFFAOYSA-N 1 2 389.559 3.664 50 0 GHAALO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4cccc(C)c4)CC3)no2)cc1 ZINC000023237090 207272439 /nfs/dbraw/zinc/27/24/39/207272439.db2.gz VNXLWNLTGFUXKH-UHFFFAOYSA-N 1 2 375.472 3.916 50 0 GHAALO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000023761894 207282727 /nfs/dbraw/zinc/28/27/27/207282727.db2.gz QGJXJXQCLPMZSU-KXBFYZLASA-N 1 2 392.421 3.897 50 0 GHAALO CN(Cc1ccc(Br)s1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050201 207287015 /nfs/dbraw/zinc/28/70/15/207287015.db2.gz GBIVBXOCKYGMSF-UHFFFAOYSA-N 1 2 376.279 3.969 50 0 GHAALO O=C(c1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024136122 207288859 /nfs/dbraw/zinc/28/88/59/207288859.db2.gz DOPSCLQFGMUDNH-UHFFFAOYSA-N 1 2 391.298 3.886 50 0 GHAALO O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000024335976 207290398 /nfs/dbraw/zinc/29/03/98/207290398.db2.gz MEPRMYQKQGSJHG-KRWDZBQOSA-N 1 2 393.314 3.553 50 0 GHAALO O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000024335976 207290403 /nfs/dbraw/zinc/29/04/03/207290403.db2.gz MEPRMYQKQGSJHG-KRWDZBQOSA-N 1 2 393.314 3.553 50 0 GHAALO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)Nc1ccccc1C(F)(F)F ZINC000038622867 207312252 /nfs/dbraw/zinc/31/22/52/207312252.db2.gz KRAJIXHRTSEUHT-OAHLLOKOSA-N 1 2 399.438 3.962 50 0 GHAALO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000027570446 207326837 /nfs/dbraw/zinc/32/68/37/207326837.db2.gz GTIWPGKJSCBHSM-CQSZACIVSA-N 1 2 396.878 3.840 50 0 GHAALO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000027570446 207326842 /nfs/dbraw/zinc/32/68/42/207326842.db2.gz GTIWPGKJSCBHSM-CQSZACIVSA-N 1 2 396.878 3.840 50 0 GHAALO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)C1 ZINC000040034528 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GHAALO Clc1ccc(-c2noc(C[N@H+]3CCC[C@H](OCc4cccnc4)C3)n2)cc1 ZINC000011667102 570578985 /nfs/dbraw/zinc/57/89/85/570578985.db2.gz HEHXEVBARKLWHF-SFHVURJKSA-N 1 2 384.867 3.966 50 0 GHAALO CCCC[N@H+](C)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C ZINC000011819839 570586117 /nfs/dbraw/zinc/58/61/17/570586117.db2.gz AJZWRYSACFZFDK-UHFFFAOYSA-N 1 2 377.554 3.745 50 0 GHAALO CCCC[N@@H+](C)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C ZINC000011819839 570586120 /nfs/dbraw/zinc/58/61/20/570586120.db2.gz AJZWRYSACFZFDK-UHFFFAOYSA-N 1 2 377.554 3.745 50 0 GHAALO Cn1cc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cn1 ZINC000225540807 570586145 /nfs/dbraw/zinc/58/61/45/570586145.db2.gz YYEKNJOQZWDYNI-OAHLLOKOSA-N 1 2 377.370 3.826 50 0 GHAALO Cn1cc([C@H]2CCC[N@H+]2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cn1 ZINC000225540807 570586148 /nfs/dbraw/zinc/58/61/48/570586148.db2.gz YYEKNJOQZWDYNI-OAHLLOKOSA-N 1 2 377.370 3.826 50 0 GHAALO CC(C)(C)OC(=O)NC1CC[NH+](Cc2nc(-c3cscn3)cs2)CC1 ZINC000225551663 570587099 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Clc1ccccc1OCc1ccc(-c2[nH]n3cnc4nncc-4c3[nH+]2)cc1 ZINC000006829341 570626331 /nfs/dbraw/zinc/62/63/31/570626331.db2.gz QGIJFLBIVPXLKV-UHFFFAOYSA-N 1 2 376.807 3.900 50 0 GHAALO CCn1cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cscn3)cc2)cn1 ZINC000012573783 570681845 /nfs/dbraw/zinc/68/18/45/570681845.db2.gz YINMZBDGCWDGOK-LJQANCHMSA-N 1 2 381.505 3.630 50 0 GHAALO CCn1cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cscn3)cc2)cn1 ZINC000012573783 570681847 /nfs/dbraw/zinc/68/18/47/570681847.db2.gz YINMZBDGCWDGOK-LJQANCHMSA-N 1 2 381.505 3.630 50 0 GHAALO C[C@H]1c2cccn2CC[N@H+]1C[C@H](O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000036398792 570683749 /nfs/dbraw/zinc/68/37/49/570683749.db2.gz QXCAXSSGNYCGMS-RXVVDRJESA-N 1 2 390.483 3.536 50 0 GHAALO C[C@H]1c2cccn2CC[N@@H+]1C[C@H](O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000036398792 570683753 /nfs/dbraw/zinc/68/37/53/570683753.db2.gz QXCAXSSGNYCGMS-RXVVDRJESA-N 1 2 390.483 3.536 50 0 GHAALO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000057993190 570705925 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COc1ccc(OCC[N@@H+](C)[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 ZINC000012986864 570737518 /nfs/dbraw/zinc/73/75/18/570737518.db2.gz IGVIPZARQRKNDP-CYBMUJFWSA-N 1 2 387.505 3.682 50 0 GHAALO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000013072924 570745228 /nfs/dbraw/zinc/74/52/28/570745228.db2.gz LTBNVPZDEXFWRY-CQSZACIVSA-N 1 2 393.409 3.560 50 0 GHAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000052537422 570752606 /nfs/dbraw/zinc/75/26/06/570752606.db2.gz JCQFBOQGTXORNB-UHFFFAOYSA-N 1 2 381.373 3.605 50 0 GHAALO C[C@H](c1ccco1)N(C)C(=O)c1cc2n(n1)CCC[N@H+](Cc1ccccc1)C2 ZINC000065417480 570767416 /nfs/dbraw/zinc/76/74/16/570767416.db2.gz HLXYIXIFBRNDSO-QGZVFWFLSA-N 1 2 378.476 3.715 50 0 GHAALO C[C@H](c1ccco1)N(C)C(=O)c1cc2n(n1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000065417480 570767417 /nfs/dbraw/zinc/76/74/17/570767417.db2.gz HLXYIXIFBRNDSO-QGZVFWFLSA-N 1 2 378.476 3.715 50 0 GHAALO CCCC(=O)N(CCC[NH+]1CCOCC1)c1nc2cc(C)c(C)cc2s1 ZINC000022997962 570775111 /nfs/dbraw/zinc/77/51/11/570775111.db2.gz UFNSHIKCKWEXHV-UHFFFAOYSA-N 1 2 375.538 3.769 50 0 GHAALO Cc1ccc([C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)c2cccs2)cc1 ZINC000032794838 570814739 /nfs/dbraw/zinc/81/47/39/570814739.db2.gz NOUYXGFFXWVXSY-LJQANCHMSA-N 1 2 387.549 3.556 50 0 GHAALO O=C(N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1)c1ccc2c(c1)NC(=O)CCS2 ZINC000012507517 570823243 /nfs/dbraw/zinc/82/32/43/570823243.db2.gz XZVGASJTRQMVEG-INIZCTEOSA-N 1 2 392.484 3.558 50 0 GHAALO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000012521984 570828438 /nfs/dbraw/zinc/82/84/38/570828438.db2.gz QFVJDJVXIJZLSG-IBGZPJMESA-N 1 2 395.484 3.638 50 0 GHAALO C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000012550077 570851783 /nfs/dbraw/zinc/85/17/83/570851783.db2.gz YPTTWNXNCWLZMD-ACJLOTCBSA-N 1 2 387.842 3.886 50 0 GHAALO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)on1 ZINC000012569062 570872999 /nfs/dbraw/zinc/87/29/99/570872999.db2.gz MWZRCEIMOSZKIE-HNNXBMFYSA-N 1 2 385.464 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LUAAAEAVTVIZBI-UHFFFAOYSA-N 1 2 376.416 3.520 50 0 GHAALO COc1ccc(C2=NN(C(=O)C[NH2+][C@@H](C)c3ccco3)[C@@H](c3ccco3)C2)cc1 ZINC000012772947 571026563 /nfs/dbraw/zinc/02/65/63/571026563.db2.gz HOHPVAPRNMPMIN-HNAYVOBHSA-N 1 2 393.443 3.910 50 0 GHAALO C[C@H](NC(=O)c1cc(Br)ccc1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007735788 571027845 /nfs/dbraw/zinc/02/78/45/571027845.db2.gz GRQPKCDBIDJTDL-LBPRGKRZSA-N 1 2 386.249 3.831 50 0 GHAALO COc1cccc(C2([NH2+]Cc3cn(-c4ccccc4C)nn3)CCOCC2)c1F ZINC000808410250 844864771 /nfs/dbraw/zinc/86/47/71/844864771.db2.gz GVPQORDAKBIZAF-UHFFFAOYSA-N 1 2 396.466 3.519 50 0 GHAALO COc1cccc(C(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)c1 ZINC000003649697 862540992 /nfs/dbraw/zinc/54/09/92/862540992.db2.gz BAZRAAMGZKIEJC-UHFFFAOYSA-N 1 2 377.444 3.641 50 0 GHAALO COc1ccccc1C(=O)Nc1ccc2[nH+]c(N3CCOCC3)cc(C)c2c1 ZINC000003649634 862541165 /nfs/dbraw/zinc/54/11/65/862541165.db2.gz JKUHMGLIQZBWBC-UHFFFAOYSA-N 1 2 377.444 3.641 50 0 GHAALO Cc1c(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cnn1-c1ccccc1F ZINC000157334347 856010209 /nfs/dbraw/zinc/01/02/09/856010209.db2.gz DYDIHYDVJCAZEZ-UHFFFAOYSA-N 1 2 394.454 3.637 50 0 GHAALO COc1ccccc1NC(=O)Cc1noc(C[NH2+][C@H](c2ccccc2)C(C)C)n1 ZINC000039992558 856620025 /nfs/dbraw/zinc/62/00/25/856620025.db2.gz RNTJZHWPEFQTNA-QFIPXVFZSA-N 1 2 394.475 3.746 50 0 GHAALO Cc1c(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cccc1NC(=O)c1ccccc1 ZINC000069483843 856848632 /nfs/dbraw/zinc/84/86/32/856848632.db2.gz MPGIFYQWIRAHDO-HNNXBMFYSA-N 1 2 377.448 3.654 50 0 GHAALO CCCCc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)c3c[nH]c4ccccc34)C2)[nH]1 ZINC000822884310 862878989 /nfs/dbraw/zinc/87/89/89/862878989.db2.gz LLMABZVOYQAKMD-QGZVFWFLSA-N 1 2 393.535 3.876 50 0 GHAALO CCCCc1ncc(C[N@H+]2CCC[C@H](CNC(=O)c3c[nH]c4ccccc34)C2)[nH]1 ZINC000822884310 862879009 /nfs/dbraw/zinc/87/90/09/862879009.db2.gz LLMABZVOYQAKMD-QGZVFWFLSA-N 1 2 393.535 3.876 50 0 GHAALO CC(C)c1nc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3F)C2)co1 ZINC000826573292 864694195 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GHAALO COc1cccc(CC(=O)N2CC[C@@H](c3[nH+]cc(C)n3Cc3ccccc3)C2)c1 ZINC000575317428 873808876 /nfs/dbraw/zinc/80/88/76/873808876.db2.gz JQRVBADSAMUKBL-OAQYLSRUSA-N 1 2 389.499 3.807 50 0 GHAALO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000007855245 878493142 /nfs/dbraw/zinc/49/31/42/878493142.db2.gz VBMGKLKBNADVTF-OAQYLSRUSA-N 1 2 391.519 3.912 50 0 GHAALO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000007855245 878493144 /nfs/dbraw/zinc/49/31/44/878493144.db2.gz VBMGKLKBNADVTF-OAQYLSRUSA-N 1 2 391.519 3.912 50 0 GHAALO C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000007855688 878497839 /nfs/dbraw/zinc/49/78/39/878497839.db2.gz LSBOGSOCZLWGJL-CRAIPNDOSA-N 1 2 382.533 3.991 50 0 GHAALO C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000007855688 878497849 /nfs/dbraw/zinc/49/78/49/878497849.db2.gz LSBOGSOCZLWGJL-CRAIPNDOSA-N 1 2 382.533 3.991 50 0 GHAALO Cc1cccc(OC2C[NH+](Cc3ccc(OCC(=O)N4CCCCC4)cc3)C2)c1 ZINC000952974860 904653389 /nfs/dbraw/zinc/65/33/89/904653389.db2.gz KZIXBZRCPPKYJK-UHFFFAOYSA-N 1 2 394.515 3.650 50 0 GHAALO CCCc1cc(C[NH2+]Cc2cc3ccc(C)cc3nc2N2CCOCC2)on1 ZINC000952979206 904657958 /nfs/dbraw/zinc/65/79/58/904657958.db2.gz VDSZDQATRQBZCN-UHFFFAOYSA-N 1 2 380.492 3.610 50 0 GHAALO CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H](c2cccnc2)[NH+]2CCCC2)cc1 ZINC000952990005 904675697 /nfs/dbraw/zinc/67/56/97/904675697.db2.gz VBJWXLWMRMXLIX-OAQYLSRUSA-N 1 2 380.492 3.842 50 0 GHAALO C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)NCc2ccccc2C[NH+]2CCOCC2)o1 ZINC000254310534 916512071 /nfs/dbraw/zinc/51/20/71/916512071.db2.gz CHXLHXDXBPJACA-SSGCMFDKSA-N 1 2 380.488 3.565 50 0 GHAALO O=C(CSc1cn(Cc2ccccc2)c2ccccc12)NCCc1c[nH+]c[nH]1 ZINC000426652995 231248933 /nfs/dbraw/zinc/24/89/33/231248933.db2.gz QTBNQFXJHONOIO-UHFFFAOYSA-N 1 2 390.512 3.864 50 0 GHAALO O=C(CSc1cn(Cc2ccccc2)c2ccccc12)NCCc1c[nH]c[nH+]1 ZINC000426652995 231248937 /nfs/dbraw/zinc/24/89/37/231248937.db2.gz QTBNQFXJHONOIO-UHFFFAOYSA-N 1 2 390.512 3.864 50 0 GHAALO Cn1cc[nH+]c1-c1cccc(C(=O)NC2CCN(c3ccccc3F)CC2)c1 ZINC000426689093 231253259 /nfs/dbraw/zinc/25/32/59/231253259.db2.gz CWZOBYFALILIPV-UHFFFAOYSA-N 1 2 378.451 3.625 50 0 GHAALO CSCC[C@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)n1cccc1 ZINC000263588297 206288897 /nfs/dbraw/zinc/28/88/97/206288897.db2.gz RLFDVYSNFSUHJF-TYOLEZHBSA-N 1 2 383.561 3.640 50 0 GHAALO COc1ccccc1-n1c[nH+]c2cc(NS(=O)(=O)c3ccccc3)ccc21 ZINC000000789718 206321369 /nfs/dbraw/zinc/32/13/69/206321369.db2.gz MAXKXFCAXVTFOH-UHFFFAOYSA-N 1 2 379.441 3.835 50 0 aggregator GHAALO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3cnn(C)c3)cc2)c1 ZINC000014979509 207036358 /nfs/dbraw/zinc/03/63/58/207036358.db2.gz INAZTLIRAMPBDC-QFIPXVFZSA-N 1 2 390.487 3.699 50 0 GHAALO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3cnn(C)c3)cc2)c1 ZINC000014979509 207036362 /nfs/dbraw/zinc/03/63/62/207036362.db2.gz INAZTLIRAMPBDC-QFIPXVFZSA-N 1 2 390.487 3.699 50 0 GHAALO Cc1ccc(C)c(-n2ncc3c2nc[nH+]c3N2CCN(c3ccccc3)CC2)c1 ZINC000015880899 207066069 /nfs/dbraw/zinc/06/60/69/207066069.db2.gz NDBCZVLNSLXDHK-UHFFFAOYSA-N 1 2 384.487 3.759 50 0 GHAALO O=C(NCCCn1cc[nH+]c1)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000017080039 207084238 /nfs/dbraw/zinc/08/42/38/207084238.db2.gz HZTLYTSCPOZBGU-UHFFFAOYSA-N 1 2 391.862 3.967 50 0 GHAALO FC(F)(F)c1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019367886 207118135 /nfs/dbraw/zinc/11/81/35/207118135.db2.gz SXUGLUNPDLVMBV-UHFFFAOYSA-N 1 2 378.394 3.752 50 0 GHAALO O=C(Nc1cccc2ccccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019840591 207165829 /nfs/dbraw/zinc/16/58/29/207165829.db2.gz OETDQTFZHCTUIL-UHFFFAOYSA-N 1 2 389.455 3.918 50 0 GHAALO O=C(c1ccccc1)c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019790530 207160285 /nfs/dbraw/zinc/16/02/85/207160285.db2.gz QGYUFZNFEDIRAS-UHFFFAOYSA-N 1 2 384.479 3.876 50 0 GHAALO CC(C)(C)[C@@H]1CCc2onc(C(=O)N3CC[NH+](Cc4ccc(F)cc4)CC3)c2C1 ZINC000020044902 207176195 /nfs/dbraw/zinc/17/61/95/207176195.db2.gz MZRJOAVVZHMEBV-QGZVFWFLSA-N 1 2 399.510 3.923 50 0 GHAALO CC(C)[N@@H+]1CCc2nc3sc(C(=O)NCCc4ccccc4)c(N)c3cc2C1 ZINC000020348163 207188738 /nfs/dbraw/zinc/18/87/38/207188738.db2.gz DIQHOIJOISESOY-UHFFFAOYSA-N 1 2 394.544 3.618 50 0 GHAALO CC(C)[N@H+]1CCc2nc3sc(C(=O)NCCc4ccccc4)c(N)c3cc2C1 ZINC000020348163 207188743 /nfs/dbraw/zinc/18/87/43/207188743.db2.gz DIQHOIJOISESOY-UHFFFAOYSA-N 1 2 394.544 3.618 50 0 GHAALO Cc1cccc(-n2c3c(c(=O)[nH]c2=S)C[N@@H+](CCc2ccccc2)CN3)c1C ZINC000020567643 207202115 /nfs/dbraw/zinc/20/21/15/207202115.db2.gz LWOYLDNGRDGMGT-UHFFFAOYSA-N 1 2 392.528 3.940 50 0 GHAALO Cc1cccc(-n2c3c(c(=O)[nH]c2=S)C[N@H+](CCc2ccccc2)CN3)c1C ZINC000020567643 207202120 /nfs/dbraw/zinc/20/21/20/207202120.db2.gz LWOYLDNGRDGMGT-UHFFFAOYSA-N 1 2 392.528 3.940 50 0 GHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccccc3F)CC2)cc1 ZINC000020662170 207209049 /nfs/dbraw/zinc/20/90/49/207209049.db2.gz YPYYJPQKUCVFJJ-UHFFFAOYSA-N 1 2 388.450 3.590 50 0 GHAALO O=C(c1cccs1)N1CC[NH+](Cc2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000020599034 207205151 /nfs/dbraw/zinc/20/51/51/207205151.db2.gz ATUAIZUDKQXOGP-UHFFFAOYSA-N 1 2 392.484 3.842 50 0 GHAALO CCNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2cccc(C)c2)CC1 ZINC000021159980 207227240 /nfs/dbraw/zinc/22/72/40/207227240.db2.gz OEHNOXSOXHVHDX-UHFFFAOYSA-N 1 2 376.504 3.746 50 0 GHAALO COc1ccc([C@H](CNc2ncnc3sc(C)c(C)c32)[NH+]2CCOCC2)cc1 ZINC000022344298 207251969 /nfs/dbraw/zinc/25/19/69/207251969.db2.gz VXYZWOIZFQZJMB-SFHVURJKSA-N 1 2 398.532 3.802 50 0 GHAALO FC(F)(F)c1cnc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 ZINC000023174812 207271143 /nfs/dbraw/zinc/27/11/43/207271143.db2.gz FFYOXTNNQWJPFI-UHFFFAOYSA-N 1 2 399.800 3.805 50 0 GHAALO C[C@H](C(=O)Nc1ccc(Cl)cc1F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022933188 207264993 /nfs/dbraw/zinc/26/49/93/207264993.db2.gz PYTQOLLGYZOXSY-CYBMUJFWSA-N 1 2 381.904 3.685 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1ccc(Br)o1)c1ccccc1 ZINC000023773787 207283347 /nfs/dbraw/zinc/28/33/47/207283347.db2.gz UBRXKOOLOIKLEF-VMSUTVGLSA-N 1 2 386.249 3.695 50 0 GHAALO CCNc1cc(C)[nH+]c(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)n1 ZINC000023994032 207284471 /nfs/dbraw/zinc/28/44/71/207284471.db2.gz RYPMZIIQCCGQCW-UHFFFAOYSA-N 1 2 383.477 3.761 50 0 GHAALO COc1ccnc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000023881548 207284618 /nfs/dbraw/zinc/28/46/18/207284618.db2.gz HZRKJHJWVKTRMR-UHFFFAOYSA-N 1 2 396.441 3.675 50 0 GHAALO O=C(c1cccc(Cl)c1Cl)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024210284 207289542 /nfs/dbraw/zinc/28/95/42/207289542.db2.gz AWCZIFRKYXQDSL-UHFFFAOYSA-N 1 2 391.298 3.886 50 0 GHAALO O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)NC1CCC(C(F)(F)F)CC1 ZINC000025057547 207301216 /nfs/dbraw/zinc/30/12/16/207301216.db2.gz QNMOWTQFYWFMKO-UHFFFAOYSA-N 1 2 396.453 3.819 50 0 GHAALO C[C@@H](NC(=O)NCCc1cn2ccccc2[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000026288283 207311665 /nfs/dbraw/zinc/31/16/65/207311665.db2.gz ABGZVGUMCBXCTK-CYBMUJFWSA-N 1 2 376.382 3.956 50 0 GHAALO COc1ccc(C[N@H+](Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027648933 207328828 /nfs/dbraw/zinc/32/88/28/207328828.db2.gz ZRFKCHTVFPNRQQ-GOSISDBHSA-N 1 2 379.909 3.538 50 0 GHAALO COc1ccc(C[N@@H+](Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027648933 207328831 /nfs/dbraw/zinc/32/88/31/207328831.db2.gz ZRFKCHTVFPNRQQ-GOSISDBHSA-N 1 2 379.909 3.538 50 0 GHAALO COc1ccc([C@H](NC(=O)c2csc(-c3ccco3)n2)c2[nH+]ccn2C)cc1 ZINC000029647992 207365576 /nfs/dbraw/zinc/36/55/76/207365576.db2.gz OBYOMRWFUCFQEU-KRWDZBQOSA-N 1 2 394.456 3.665 50 0 GHAALO COc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1OC(F)F ZINC000040104546 207576562 /nfs/dbraw/zinc/57/65/62/207576562.db2.gz RTOHSKZJNNDALT-UHFFFAOYSA-N 1 2 397.447 3.708 50 0 GHAALO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000079075002 208070642 /nfs/dbraw/zinc/07/06/42/208070642.db2.gz RIVBOIXQPZTVGC-QFIPXVFZSA-N 1 2 390.483 3.812 50 0 GHAALO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000079075002 208070643 /nfs/dbraw/zinc/07/06/43/208070643.db2.gz RIVBOIXQPZTVGC-QFIPXVFZSA-N 1 2 390.483 3.812 50 0 GHAALO COC(=O)c1ccc(C)c(NC(=O)NCc2[nH+]ccn2CCc2ccccc2)c1 ZINC000079048436 208070947 /nfs/dbraw/zinc/07/09/47/208070947.db2.gz PKAIUZVSKJDCIZ-UHFFFAOYSA-N 1 2 392.459 3.543 50 0 GHAALO C[C@@H](C(=O)NCc1cc(-c2cccc(F)c2)no1)[N@@H+]1CCc2ccccc2C1 ZINC000095356293 208159125 /nfs/dbraw/zinc/15/91/25/208159125.db2.gz KTPAQAHOZQYALQ-HNNXBMFYSA-N 1 2 379.435 3.544 50 0 GHAALO C[C@@H](C(=O)NCc1cc(-c2cccc(F)c2)no1)[N@H+]1CCc2ccccc2C1 ZINC000095356293 208159130 /nfs/dbraw/zinc/15/91/30/208159130.db2.gz KTPAQAHOZQYALQ-HNNXBMFYSA-N 1 2 379.435 3.544 50 0 GHAALO CCc1ccc2[nH+]c(N3CC[C@@]4(C3)CCCN(CCOC)C4=O)cc(C)c2c1 ZINC000095388692 208175783 /nfs/dbraw/zinc/17/57/83/208175783.db2.gz LSHMZOGBMSZBOO-HSZRJFAPSA-N 1 2 381.520 3.571 50 0 GHAALO O=C(CCc1ccc(O)cc1)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095499752 208201649 /nfs/dbraw/zinc/20/16/49/208201649.db2.gz RVUTWXMJQVAFLW-UHFFFAOYSA-N 1 2 389.499 3.976 50 0 GHAALO COc1ccccc1[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1CCn1cnnc1C ZINC000095526254 208227417 /nfs/dbraw/zinc/22/74/17/208227417.db2.gz RXZOLACEJURBPI-QHCPKHFHSA-N 1 2 387.487 3.724 50 0 GHAALO COc1ccccc1[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1CCn1cnnc1C ZINC000095526254 208227424 /nfs/dbraw/zinc/22/74/24/208227424.db2.gz RXZOLACEJURBPI-QHCPKHFHSA-N 1 2 387.487 3.724 50 0 GHAALO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)c(F)c1 ZINC000095531229 208229186 /nfs/dbraw/zinc/22/91/86/208229186.db2.gz BIZDCAGVAXNJER-HNNXBMFYSA-N 1 2 384.480 3.855 50 0 GHAALO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4ncon4)C3)cc2)c1 ZINC000095530992 208231205 /nfs/dbraw/zinc/23/12/05/208231205.db2.gz NDITUJRXOKDAFR-SFHVURJKSA-N 1 2 392.459 3.596 50 0 GHAALO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ncon4)C3)cc2)c1 ZINC000095530992 208231210 /nfs/dbraw/zinc/23/12/10/208231210.db2.gz NDITUJRXOKDAFR-SFHVURJKSA-N 1 2 392.459 3.596 50 0 GHAALO O=C(Nc1ccc(-c2cscn2)cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000096153364 208277663 /nfs/dbraw/zinc/27/76/63/208277663.db2.gz IZQZVPAOMFFDLW-GOSISDBHSA-N 1 2 386.521 3.529 50 0 GHAALO CC(C)(C)OC(=O)N1CC[NH+](CCCNc2nc(C(F)(F)F)cs2)CC1 ZINC000095966333 208247467 /nfs/dbraw/zinc/24/74/67/208247467.db2.gz XUPQSKBLLWINQA-UHFFFAOYSA-N 1 2 394.463 3.517 50 0 GHAALO CC(C)N(Cc1[nH+]ccn1C)C(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1 ZINC000096165266 208280410 /nfs/dbraw/zinc/28/04/10/208280410.db2.gz IRKSARWQASMYMF-LJQANCHMSA-N 1 2 386.496 3.811 50 0 GHAALO C[N@H+](Cc1ccc(F)c(F)c1)[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1=O ZINC000097011563 208333942 /nfs/dbraw/zinc/33/39/42/208333942.db2.gz WUYXLXGLNXUUEL-HXUWFJFHSA-N 1 2 380.394 3.882 50 0 GHAALO C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1=O ZINC000097011563 208333949 /nfs/dbraw/zinc/33/39/49/208333949.db2.gz WUYXLXGLNXUUEL-HXUWFJFHSA-N 1 2 380.394 3.882 50 0 GHAALO O=C(/C=C\c1ccc(-c2ccccc2F)o1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000096856718 208326428 /nfs/dbraw/zinc/32/64/28/208326428.db2.gz WAPJDNOYCQQBLC-VURMDHGXSA-N 1 2 391.446 3.838 50 0 GHAALO Cc1ccc(-c2cc(C(=O)N[C@H](CCn3cc[nH+]c3)c3ccccc3)[nH]n2)o1 ZINC000097815540 208364503 /nfs/dbraw/zinc/36/45/03/208364503.db2.gz QIXIREAUIWOPOY-QGZVFWFLSA-N 1 2 375.432 3.736 50 0 GHAALO C[NH+](C)c1ccc(N[C@H]2CC(=O)N(c3ccc(SC(F)F)cc3)C2=O)cc1 ZINC000101129327 208388258 /nfs/dbraw/zinc/38/82/58/208388258.db2.gz UKFXSPUGMHGMAP-INIZCTEOSA-N 1 2 391.443 3.811 50 0 GHAALO CN1CC[NH+](Cc2cccc(NC(=O)Cc3ccc(Cl)cc3Cl)c2)CC1 ZINC000060030180 209000960 /nfs/dbraw/zinc/00/09/60/209000960.db2.gz XJPIWJQEZCWOTH-UHFFFAOYSA-N 1 2 392.330 3.922 50 0 GHAALO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000230133444 209005172 /nfs/dbraw/zinc/00/51/72/209005172.db2.gz GPNVWCRELFIRML-OPYAIIAOSA-N 1 2 388.508 3.736 50 0 GHAALO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000230133444 209005174 /nfs/dbraw/zinc/00/51/74/209005174.db2.gz GPNVWCRELFIRML-OPYAIIAOSA-N 1 2 388.508 3.736 50 0 GHAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096096856 209007918 /nfs/dbraw/zinc/00/79/18/209007918.db2.gz QALOHJUXFSRTBQ-UHFFFAOYSA-N 1 2 396.878 3.663 50 0 GHAALO O=C(C[NH+]1CCC(c2nnc(-c3ccsc3)o2)CC1)Nc1ccccc1F ZINC000096024412 209007698 /nfs/dbraw/zinc/00/76/98/209007698.db2.gz QJGJWFCQUHJQRG-UHFFFAOYSA-N 1 2 386.452 3.755 50 0 GHAALO COc1cc(OC)c(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)cc1Cl ZINC000012853850 221238263 /nfs/dbraw/zinc/23/82/63/221238263.db2.gz WYOMBLIOPVIHLZ-NSHDSACASA-N 1 2 380.897 3.977 50 0 GHAALO COc1cc(OC)c(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2C)cc1Cl ZINC000012853850 221238266 /nfs/dbraw/zinc/23/82/66/221238266.db2.gz WYOMBLIOPVIHLZ-NSHDSACASA-N 1 2 380.897 3.977 50 0 GHAALO COc1cccc(C[NH+]2CCN(C(=O)c3ccc(-c4ccncc4)cc3)CC2)c1 ZINC000426538086 533482362 /nfs/dbraw/zinc/48/23/62/533482362.db2.gz LEYRDLBXNJQQOQ-UHFFFAOYSA-N 1 2 387.483 3.715 50 0 GHAALO CCc1nc(-c2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)cs1 ZINC000064677471 136157473 /nfs/dbraw/zinc/15/74/73/136157473.db2.gz FNBONVKPIPIFNB-UHFFFAOYSA-N 1 2 378.501 3.730 50 0 GHAALO CCN(C)c1cc(N2CCO[C@H](c3ccc4cc(OC)ccc4c3)C2)nc[nH+]1 ZINC000071762924 136166297 /nfs/dbraw/zinc/16/62/97/136166297.db2.gz PIFXRIBTAQHYRV-FQEVSTJZSA-N 1 2 378.476 3.672 50 0 GHAALO CCN(C)c1cc(N2CCO[C@H](c3ccc4cc(OC)ccc4c3)C2)[nH+]cn1 ZINC000071762924 136166298 /nfs/dbraw/zinc/16/62/98/136166298.db2.gz PIFXRIBTAQHYRV-FQEVSTJZSA-N 1 2 378.476 3.672 50 0 GHAALO Cc1oc(-c2ccccc2)nc1C[NH+]1CCN(c2nncc3ccccc32)CC1 ZINC000089548113 136175645 /nfs/dbraw/zinc/17/56/45/136175645.db2.gz MHFMUPDGINRGQJ-UHFFFAOYSA-N 1 2 385.471 3.915 50 0 GHAALO CC(C)c1nc2sccc2c(N2CCN(C3=[NH+]CC(C)(C)S3)CC2)n1 ZINC000095080576 136177771 /nfs/dbraw/zinc/17/77/71/136177771.db2.gz BYEYBIAXHABAEB-UHFFFAOYSA-N 1 2 375.567 3.818 50 0 GHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1ccccc1F ZINC000000904729 527074060 /nfs/dbraw/zinc/07/40/60/527074060.db2.gz HGRJTJCJARXCSK-UHFFFAOYSA-N 1 2 379.420 3.685 50 0 GHAALO CCCc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)nc(C)n1 ZINC000095521032 535397428 /nfs/dbraw/zinc/39/74/28/535397428.db2.gz NAXRBDHEJQICOW-SFHVURJKSA-N 1 2 376.508 3.761 50 0 GHAALO CCCc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)nc(C)n1 ZINC000095521432 535397552 /nfs/dbraw/zinc/39/75/52/535397552.db2.gz PBARIRJMCLSPFW-INIZCTEOSA-N 1 2 382.537 3.823 50 0 GHAALO COc1ccc(-c2nc(C[NH+]3CCN(c4ccc(O)cc4)CC3)cs2)cc1 ZINC000057891759 536513846 /nfs/dbraw/zinc/51/38/46/536513846.db2.gz FJNKNGWSLTWTCB-UHFFFAOYSA-N 1 2 381.501 3.847 50 0 GHAALO COc1ccc(-c2nc(C[NH+]3CCN(c4ccccc4OC)CC3)c(C)o2)cc1 ZINC000059945983 536514958 /nfs/dbraw/zinc/51/49/58/536514958.db2.gz SCLCQHFTAHMGLY-UHFFFAOYSA-N 1 2 393.487 3.989 50 0 GHAALO CC1CCN(c2ccc(CNC(=O)c3cc(-c4ccccc4)n[nH]3)c[nH+]2)CC1 ZINC000048287329 570227570 /nfs/dbraw/zinc/22/75/70/570227570.db2.gz SRQPSZCRTMLAMW-UHFFFAOYSA-N 1 2 375.476 3.638 50 0 GHAALO C[C@@H]1CCCN(c2ccc(-c3noc(C[N@@H+]4CCc5ccccc5C4)n3)cn2)C1 ZINC000049409628 570265749 /nfs/dbraw/zinc/26/57/49/570265749.db2.gz UPZONZQIUNKWST-QGZVFWFLSA-N 1 2 389.503 3.926 50 0 GHAALO C[C@@H]1CCCN(c2ccc(-c3noc(C[N@H+]4CCc5ccccc5C4)n3)cn2)C1 ZINC000049409628 570265751 /nfs/dbraw/zinc/26/57/51/570265751.db2.gz UPZONZQIUNKWST-QGZVFWFLSA-N 1 2 389.503 3.926 50 0 GHAALO COc1ccc([C@@H]2CC(=O)Nc3c2cnn3C(C)(C)C)cc1C[NH+]1CCOCC1 ZINC000049546180 570269070 /nfs/dbraw/zinc/26/90/70/570269070.db2.gz LFCXJYSTEOQUPU-KRWDZBQOSA-N 1 2 398.507 3.603 50 0 GHAALO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000084536066 570293146 /nfs/dbraw/zinc/29/31/46/570293146.db2.gz ZGOMLYLEBNFYQV-QGZVFWFLSA-N 1 2 395.330 3.551 50 0 GHAALO CC1=C[C@@](O)(C(F)(F)F)N(c2nc(-c3ccco3)cc(C(F)(F)F)n2)[NH2+]1 ZINC000006263568 570352663 /nfs/dbraw/zinc/35/26/63/570352663.db2.gz DANMUFRXLAMPGM-GFCCVEGCSA-N 1 2 380.248 3.592 50 0 GHAALO C[C@@H](NC(=S)N1CCN(c2cccc[nH+]2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000004690675 570393484 /nfs/dbraw/zinc/39/34/84/570393484.db2.gz PPZPVHMUGGDJQC-GSQFEDNKSA-N 1 2 384.593 3.683 50 0 GHAALO CCOc1cc(/C=C2\[C@@H](O)C3CC[NH+]2CC3)cc(Br)c1OCC ZINC000004841997 570411088 /nfs/dbraw/zinc/41/10/88/570411088.db2.gz SRRLCDSSAPFINT-OBHPCNEJSA-N 1 2 382.298 3.674 50 0 GHAALO Clc1ccc(OCc2ccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)cc2)cc1 ZINC000006448208 570424253 /nfs/dbraw/zinc/42/42/53/570424253.db2.gz QAMUAWZCKQMRGU-UHFFFAOYSA-N 1 2 376.807 3.900 50 0 GHAALO CC[C@@H](C)[N@H+](Cc1nc(C(=O)NCCOC)co1)Cc1ccc(C(C)C)cc1 ZINC000036082627 570528932 /nfs/dbraw/zinc/52/89/32/570528932.db2.gz GEAGPVQJEIKYQY-QGZVFWFLSA-N 1 2 387.524 3.975 50 0 GHAALO CC[C@@H](C)[N@@H+](Cc1nc(C(=O)NCCOC)co1)Cc1ccc(C(C)C)cc1 ZINC000036082627 570528936 /nfs/dbraw/zinc/52/89/36/570528936.db2.gz GEAGPVQJEIKYQY-QGZVFWFLSA-N 1 2 387.524 3.975 50 0 GHAALO COc1cccc(NC(=O)Cn2c3cc4c(cc3[nH+]c2C(C)C)OCCO4)c1 ZINC000064795231 570546493 /nfs/dbraw/zinc/54/64/93/570546493.db2.gz YYHDYQCZOFSYME-UHFFFAOYSA-N 1 2 381.432 3.578 50 0 GHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccccc2F)cc1 ZINC000005478714 570609249 /nfs/dbraw/zinc/60/92/49/570609249.db2.gz CKQKLHZQSMOTJX-UHFFFAOYSA-N 1 2 393.447 3.994 50 0 GHAALO Cc1cccc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)C3CCCC3)CC2)c1 ZINC000036311490 570609721 /nfs/dbraw/zinc/60/97/21/570609721.db2.gz KIXNQZOKSKIBTL-JOCHJYFZSA-N 1 2 397.563 3.827 50 0 GHAALO CC(=O)c1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)cs1 ZINC000012439443 570663463 /nfs/dbraw/zinc/66/34/63/570663463.db2.gz VMXZWZRQDPNRAL-IBGZPJMESA-N 1 2 394.500 3.740 50 0 GHAALO CC(=O)c1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)cs1 ZINC000012439443 570663466 /nfs/dbraw/zinc/66/34/66/570663466.db2.gz VMXZWZRQDPNRAL-IBGZPJMESA-N 1 2 394.500 3.740 50 0 GHAALO COc1ccc(-c2nc(C[NH+]3CCN(c4ccccc4O)CC3)c(C)o2)cc1C ZINC000055255091 570689354 /nfs/dbraw/zinc/68/93/54/570689354.db2.gz UAKXWTCJPZCWQZ-UHFFFAOYSA-N 1 2 393.487 3.995 50 0 GHAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc(F)c1 ZINC000057291789 570701892 /nfs/dbraw/zinc/70/18/92/570701892.db2.gz HMNOBBZAIMYGPE-UHFFFAOYSA-N 1 2 381.373 3.605 50 0 GHAALO CCn1cc(CNc2ncc(-c3ccc(N)[nH+]c3)c(-c3ccc(C)cc3)n2)cn1 ZINC000065382758 570763641 /nfs/dbraw/zinc/76/36/41/570763641.db2.gz KURKCYLGONXWFW-UHFFFAOYSA-N 1 2 385.475 3.925 50 0 GHAALO COc1cc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc(OC)c1C ZINC000036624336 570767720 /nfs/dbraw/zinc/76/77/20/570767720.db2.gz NVWYZSCQQRSJJZ-UHFFFAOYSA-N 1 2 388.895 3.624 50 0 GHAALO CC(C)(C)N=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)c1ccsc1)C2 ZINC000065265974 570769598 /nfs/dbraw/zinc/76/95/98/570769598.db2.gz LGINFKWFEBQHET-NRFANRHFSA-N 1 2 382.533 3.554 50 0 GHAALO Cc1ccccc1CNC(=O)CCC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000065274131 570776433 /nfs/dbraw/zinc/77/64/33/570776433.db2.gz VRBLTTPIEJOYDO-UHFFFAOYSA-N 1 2 393.535 3.672 50 0 GHAALO Cc1ccccc1CNC(=O)CCC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000065274131 570776435 /nfs/dbraw/zinc/77/64/35/570776435.db2.gz VRBLTTPIEJOYDO-UHFFFAOYSA-N 1 2 393.535 3.672 50 0 GHAALO O=C(NC(=O)c1ccc(C(F)(F)F)cc1)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000004653873 570806835 /nfs/dbraw/zinc/80/68/35/570806835.db2.gz NQVBWFWHAOFIKR-HOCLYGCPSA-N 1 2 384.398 3.836 50 0 GHAALO O=C(NC(=O)c1ccc(C(F)(F)F)cc1)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000004653873 570806836 /nfs/dbraw/zinc/80/68/36/570806836.db2.gz NQVBWFWHAOFIKR-HOCLYGCPSA-N 1 2 384.398 3.836 50 0 GHAALO COc1ccccc1[C@@H](NC(=O)N[C@H](C)CCc1ccccc1)c1[nH+]ccn1C ZINC000032802557 570821053 /nfs/dbraw/zinc/82/10/53/570821053.db2.gz SVCGDQONSZZHDR-DYESRHJHSA-N 1 2 392.503 3.839 50 0 GHAALO O=C(NCCCCOc1ccc(Cl)cc1)NCCc1cn2c([nH+]1)CCCC2 ZINC000032803549 570822034 /nfs/dbraw/zinc/82/20/34/570822034.db2.gz YCOOWTUIBXALIT-UHFFFAOYSA-N 1 2 390.915 3.574 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Br)cc1)c1ccccc1F ZINC000012507147 570822826 /nfs/dbraw/zinc/82/28/26/570822826.db2.gz CPKIOYOORAYWAN-MRXNPFEDSA-N 1 2 388.240 3.841 50 0 GHAALO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(C)on1 ZINC000012535040 570835141 /nfs/dbraw/zinc/83/51/41/570835141.db2.gz HJCSIMKIDKUIJK-UHFFFAOYSA-N 1 2 383.452 3.703 50 0 GHAALO Cc1nc2ccccc2n1C[NH+]1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000012540017 570838485 /nfs/dbraw/zinc/83/84/85/570838485.db2.gz ZZMUXEUFCVJNHD-UHFFFAOYSA-N 1 2 396.363 3.820 50 0 GHAALO Cc1cc(CNC(=O)c2ccccc2SCc2cn3ccccc3[nH+]2)on1 ZINC000065738068 570878930 /nfs/dbraw/zinc/87/89/30/570878930.db2.gz VLCFOZDTKJJNDT-UHFFFAOYSA-N 1 2 378.457 3.853 50 0 GHAALO CC(=O)C(C(C)=O)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@@]31[NH+]=2 ZINC000004024147 570901176 /nfs/dbraw/zinc/90/11/76/570901176.db2.gz KUTPZUGYRAXAFK-CYFREDJKSA-N 1 2 376.500 3.573 50 0 biogenic GHAALO O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)NCCc1cccc(Cl)c1 ZINC000014813996 570902786 /nfs/dbraw/zinc/90/27/86/570902786.db2.gz VFOHCGDUVNYAAY-UHFFFAOYSA-N 1 2 384.907 3.594 50 0 GHAALO Cc1cccc(CC(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCOCC2)c1 ZINC000023106473 570905340 /nfs/dbraw/zinc/90/53/40/570905340.db2.gz PVQKKCFPEGJROS-DEOSSOPVSA-N 1 2 388.511 3.880 50 0 GHAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1Oc1ccccc1 ZINC000012171779 570960666 /nfs/dbraw/zinc/96/06/66/570960666.db2.gz YKUIPPYNXQCQHC-UHFFFAOYSA-N 1 2 389.455 3.641 50 0 GHAALO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cn2c(=O)oc3ccc(Cl)cc32)C1 ZINC000044849201 570980313 /nfs/dbraw/zinc/98/03/13/570980313.db2.gz LVRGOGDQDRECNG-CQSZACIVSA-N 1 2 385.851 3.556 50 0 GHAALO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cn2c(=O)oc3ccc(Cl)cc32)C1 ZINC000044849201 570980315 /nfs/dbraw/zinc/98/03/15/570980315.db2.gz LVRGOGDQDRECNG-CQSZACIVSA-N 1 2 385.851 3.556 50 0 GHAALO COc1ccccc1NC(=O)Cc1noc(C[N@@H+]2CCC[C@H]2c2ccsc2)n1 ZINC000046088145 571022693 /nfs/dbraw/zinc/02/26/93/571022693.db2.gz JGVSNPMZHIQGLN-INIZCTEOSA-N 1 2 398.488 3.658 50 0 GHAALO COc1ccccc1NC(=O)Cc1noc(C[N@H+]2CCC[C@H]2c2ccsc2)n1 ZINC000046088145 571022697 /nfs/dbraw/zinc/02/26/97/571022697.db2.gz JGVSNPMZHIQGLN-INIZCTEOSA-N 1 2 398.488 3.658 50 0 GHAALO CCOC(=O)C1CC[NH+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000057341677 861971055 /nfs/dbraw/zinc/97/10/55/861971055.db2.gz BUXVAUGYXLJMET-HXUWFJFHSA-N 1 2 384.451 3.781 50 0 GHAALO O=c1c2cc3c(cc2[nH]c(=S)n1C1CC[NH+](Cc2ccccc2)CC1)OCO3 ZINC000002974132 862077969 /nfs/dbraw/zinc/07/79/69/862077969.db2.gz FICSRDABMSGKOG-UHFFFAOYSA-N 1 2 395.484 3.625 50 0 GHAALO C[C@@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008163509 856025334 /nfs/dbraw/zinc/02/53/34/856025334.db2.gz QUMZXPJQOJKCFD-CQSZACIVSA-N 1 2 393.472 3.794 50 0 GHAALO C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@H+](C)Cc1ccc(Cl)s1 ZINC000008473857 856230451 /nfs/dbraw/zinc/23/04/51/856230451.db2.gz LZGARXWSVODOIW-VIFPVBQESA-N 1 2 397.953 3.510 50 0 GHAALO C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008473857 856230458 /nfs/dbraw/zinc/23/04/58/856230458.db2.gz LZGARXWSVODOIW-VIFPVBQESA-N 1 2 397.953 3.510 50 0 GHAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccnn1C1CCCC1 ZINC000008724396 856329464 /nfs/dbraw/zinc/32/94/64/856329464.db2.gz MUUBARWYZGBVFZ-SFHVURJKSA-N 1 2 396.491 3.545 50 0 GHAALO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccnn1C1CCCC1 ZINC000008724396 856329472 /nfs/dbraw/zinc/32/94/72/856329472.db2.gz MUUBARWYZGBVFZ-SFHVURJKSA-N 1 2 396.491 3.545 50 0 GHAALO O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000040111906 856667249 /nfs/dbraw/zinc/66/72/49/856667249.db2.gz UYPCKUDWKSVGOK-UHFFFAOYSA-N 1 2 389.377 3.803 50 0 GHAALO C[C@H](c1cccc(NC(=O)c2cnc(-c3ccncc3)s2)c1)[NH+]1CCOCC1 ZINC000265910877 859543345 /nfs/dbraw/zinc/54/33/45/859543345.db2.gz TUCVRXGCXRBBFY-OAHLLOKOSA-N 1 2 394.500 3.851 50 0 GHAALO Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1C[NH+]1CCN(C)CC1 ZINC000019793349 860369396 /nfs/dbraw/zinc/36/93/96/860369396.db2.gz SWYCDODJWXZGLQ-UHFFFAOYSA-N 1 2 377.488 3.575 50 0 GHAALO Cc1c[nH+]c([C@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)n1Cc1ccccc1 ZINC000575317388 865991676 /nfs/dbraw/zinc/99/16/76/865991676.db2.gz HYSRFLKYBRYJEF-NRFANRHFSA-N 1 2 395.528 3.559 50 0 GHAALO Cc1cnc([C@H]([NH2+]CC(=O)Nc2nc3ccc(F)cc3s2)C2CC2)s1 ZINC000185375131 866020993 /nfs/dbraw/zinc/02/09/93/866020993.db2.gz YECZLTRGOLJYJL-OAHLLOKOSA-N 1 2 376.482 3.880 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1 ZINC000581807445 870038590 /nfs/dbraw/zinc/03/85/90/870038590.db2.gz MZMJZYJMICMFOV-OAQYLSRUSA-N 1 2 389.503 3.843 50 0 GHAALO COc1ccc(/C=C/C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(OC)c1 ZINC000032978439 891969280 /nfs/dbraw/zinc/96/92/80/891969280.db2.gz NXCYOMYUPYRRRV-VQHVLOKHSA-N 1 2 387.505 3.798 50 0 GHAALO O=C(NC1CCCCC1)NC1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000155418526 898751608 /nfs/dbraw/zinc/75/16/08/898751608.db2.gz UPAZJZFUGTVVLZ-UHFFFAOYSA-N 1 2 399.564 3.801 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H](C)C(F)(F)F)csc3C2)nc1 ZINC000426404427 529644301 /nfs/dbraw/zinc/64/43/01/529644301.db2.gz ZFFIKMXYEKFNLD-GFCCVEGCSA-N 1 2 397.466 3.944 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H](C)C(F)(F)F)csc3C2)nc1 ZINC000426404427 529644305 /nfs/dbraw/zinc/64/43/05/529644305.db2.gz ZFFIKMXYEKFNLD-GFCCVEGCSA-N 1 2 397.466 3.944 50 0 GHAALO COc1ccc(C2=NN(C(=O)C[NH2+][C@H](C)c3ccco3)[C@H](c3ccco3)C2)cc1 ZINC000012772959 206936070 /nfs/dbraw/zinc/93/60/70/206936070.db2.gz HOHPVAPRNMPMIN-BEFAXECRSA-N 1 2 393.443 3.910 50 0 GHAALO CCOc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 ZINC000014182554 207014282 /nfs/dbraw/zinc/01/42/82/207014282.db2.gz MGKDPMCXZYEEKX-XWFZLUIHSA-N 1 2 385.508 3.680 50 0 GHAALO CCOc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 ZINC000014182554 207014286 /nfs/dbraw/zinc/01/42/86/207014286.db2.gz MGKDPMCXZYEEKX-XWFZLUIHSA-N 1 2 385.508 3.680 50 0 GHAALO Cc1c(Cl)cccc1NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019849653 207166923 /nfs/dbraw/zinc/16/69/23/207166923.db2.gz ZDMVLUKBSFAZLY-RMKNXTFCSA-N 1 2 383.923 3.918 50 0 GHAALO Cc1ccc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000019841015 207167065 /nfs/dbraw/zinc/16/70/65/207167065.db2.gz NJDGZIDUEQHYEI-UHFFFAOYSA-N 1 2 383.517 3.547 50 0 GHAALO COc1ccc2nc(C)c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019875171 207168870 /nfs/dbraw/zinc/16/88/70/207168870.db2.gz VVZMGDWDMKZUHT-UHFFFAOYSA-N 1 2 375.472 3.510 50 0 GHAALO CCOC(=O)N1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000019878991 207168153 /nfs/dbraw/zinc/16/81/53/207168153.db2.gz ATNTWFJFUQKWTG-NRFANRHFSA-N 1 2 378.476 3.735 50 0 GHAALO c1coc([C@@H]2NC3=[NH+]CN(C4CCCCC4)CN3c3nc4ccccc4n32)c1 ZINC000020101812 207177981 /nfs/dbraw/zinc/17/79/81/207177981.db2.gz WVSMWZYYFASERA-LJQANCHMSA-N 1 2 376.464 3.505 50 0 GHAALO CCOC(=O)Cn1c2ccccc2n(CCOc2ccc3ccccc3c2)c1=[NH2+] ZINC000020149473 207180879 /nfs/dbraw/zinc/18/08/79/207180879.db2.gz BDSQWOPRSMBXAT-UHFFFAOYSA-N 1 2 389.455 3.718 50 0 aggregator GHAALO Cc1c2cccc(C)c2[nH]c1CN1CC[N@H+](Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000020323546 207187848 /nfs/dbraw/zinc/18/78/48/207187848.db2.gz GDYAFOFSGKQPSZ-NRFANRHFSA-N 1 2 395.522 3.993 50 0 GHAALO Cc1c2cccc(C)c2[nH]c1CN1CC[N@@H+](Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000020323546 207187852 /nfs/dbraw/zinc/18/78/52/207187852.db2.gz GDYAFOFSGKQPSZ-NRFANRHFSA-N 1 2 395.522 3.993 50 0 GHAALO Cc1cc(N)nc(SCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[nH+]1 ZINC000022090703 207248805 /nfs/dbraw/zinc/24/88/05/207248805.db2.gz JXUYNACGLBHJQD-UHFFFAOYSA-N 1 2 388.880 3.689 50 0 GHAALO C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022584568 207256660 /nfs/dbraw/zinc/25/66/60/207256660.db2.gz LDVMRSNXMJHWJZ-PBWIWHKOSA-N 1 2 395.591 3.696 50 0 GHAALO CC[C@@H]([NH2+]Cc1nc(=O)c2sccc2[nH]1)c1ccc(Br)cc1 ZINC000023996002 207285657 /nfs/dbraw/zinc/28/56/57/207285657.db2.gz ZYPLASARCYKJGP-GFCCVEGCSA-N 1 2 378.295 3.988 50 0 GHAALO O=S(=O)(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(Cl)cc(Cl)c1 ZINC000024687373 207293502 /nfs/dbraw/zinc/29/35/02/207293502.db2.gz BVWQFBIEKQUYDJ-UHFFFAOYSA-N 1 2 396.299 3.717 50 0 GHAALO COc1ccccc1[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1[nH+]ccn1C ZINC000025053187 207300713 /nfs/dbraw/zinc/30/07/13/207300713.db2.gz SNQDTMNECPOBFA-LIRRHRJNSA-N 1 2 399.878 3.755 50 0 GHAALO Cc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(C(=O)NC4CC4)cc3)n2)cc1 ZINC000027288961 207324066 /nfs/dbraw/zinc/32/40/66/207324066.db2.gz OEGZEMITGIQONE-UHFFFAOYSA-N 1 2 376.460 3.569 50 0 GHAALO Cc1ccc(-c2noc(C[N@H+](C)Cc3ccc(C(=O)NC4CC4)cc3)n2)cc1 ZINC000027288961 207324068 /nfs/dbraw/zinc/32/40/68/207324068.db2.gz OEGZEMITGIQONE-UHFFFAOYSA-N 1 2 376.460 3.569 50 0 GHAALO O=C(Cc1csc(-c2ccco2)n1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030217026 207369794 /nfs/dbraw/zinc/36/97/94/207369794.db2.gz DYXUQPUFFWZXSC-UHFFFAOYSA-N 1 2 378.457 3.507 50 0 GHAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1ccc(Cl)cc1 ZINC000039394058 207563580 /nfs/dbraw/zinc/56/35/80/207563580.db2.gz JXLNDIFQIKVHCN-UHFFFAOYSA-N 1 2 380.879 3.739 50 0 GHAALO Cn1cc[nH+]c1-c1ccccc1C(=O)N1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000077424690 208043910 /nfs/dbraw/zinc/04/39/10/208043910.db2.gz DGGASYVVSAPHHJ-JOCHJYFZSA-N 1 2 389.499 3.543 50 0 GHAALO COc1cccc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)c1 ZINC000082097586 208081246 /nfs/dbraw/zinc/08/12/46/208081246.db2.gz GPUFQWJYCDLPEB-UHFFFAOYSA-N 1 2 375.472 3.960 50 0 GHAALO O=C(c1ccc2[nH+]ccn2c1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000091830163 208137391 /nfs/dbraw/zinc/13/73/91/208137391.db2.gz XBIDVAFVAIVRFT-MIZPHKNDSA-N 1 2 375.472 3.627 50 0 GHAALO O=c1cc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)[nH]c2ccc(F)cc12 ZINC000091434977 208116731 /nfs/dbraw/zinc/11/67/31/208116731.db2.gz MILDPTIRCXKJOV-UHFFFAOYSA-N 1 2 385.870 3.638 50 0 GHAALO O=C(NCc1csc(Cc2ccccc2)n1)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000095373720 208170089 /nfs/dbraw/zinc/17/00/89/208170089.db2.gz HRUQUGSOYYMIFN-NRFANRHFSA-N 1 2 392.528 3.582 50 0 GHAALO CC(C)(C)n1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)c1 ZINC000095508947 208210929 /nfs/dbraw/zinc/21/09/29/208210929.db2.gz MJMIQXPLZJXQLR-SFHVURJKSA-N 1 2 391.519 3.903 50 0 GHAALO Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3cncs3)c2)s1 ZINC000095509276 208209572 /nfs/dbraw/zinc/20/95/72/208209572.db2.gz NKRAGTOITZKRFE-QGZVFWFLSA-N 1 2 399.545 3.963 50 0 GHAALO Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3cncs3)c2)s1 ZINC000095509276 208209580 /nfs/dbraw/zinc/20/95/80/208209580.db2.gz NKRAGTOITZKRFE-QGZVFWFLSA-N 1 2 399.545 3.963 50 0 GHAALO O=C(c1cccc(F)c1F)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095498076 208196893 /nfs/dbraw/zinc/19/68/93/208196893.db2.gz CGIQJCYNCBQVQL-UHFFFAOYSA-N 1 2 382.414 3.624 50 0 GHAALO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCC[N@H+](Cc2ncon2)C1 ZINC000095502452 208204860 /nfs/dbraw/zinc/20/48/60/208204860.db2.gz RUIMVYJGNPYDQL-QGZVFWFLSA-N 1 2 380.423 3.726 50 0 GHAALO O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000095502452 208204864 /nfs/dbraw/zinc/20/48/64/208204864.db2.gz RUIMVYJGNPYDQL-QGZVFWFLSA-N 1 2 380.423 3.726 50 0 GHAALO COc1cccc(C)c1C(=O)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095524647 208222359 /nfs/dbraw/zinc/22/23/59/208222359.db2.gz ROTOOJGICFGQBM-INIZCTEOSA-N 1 2 396.516 3.725 50 0 GHAALO O=C(Nc1ccc(F)cc1)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095528433 208226567 /nfs/dbraw/zinc/22/65/67/208226567.db2.gz GGQCGZZESNIPIN-QGZVFWFLSA-N 1 2 379.439 3.877 50 0 GHAALO COc1cc(SC)ccc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096536705 208318590 /nfs/dbraw/zinc/31/85/90/208318590.db2.gz LTYLLCRDGUJNSC-TWGQIWQCSA-N 1 2 382.529 3.888 50 0 GHAALO COc1cccc(-c2ccccc2NC(=O)N(C)C[C@H](C)[NH+]2CCOCC2)c1 ZINC000097679698 208361697 /nfs/dbraw/zinc/36/16/97/208361697.db2.gz OBJVJWWESZLYJK-KRWDZBQOSA-N 1 2 383.492 3.547 50 0 GHAALO O=C(c1cccs1)N(CCC[NH+]1CCOCC1)c1nc2ccccc2s1 ZINC000022997241 208858933 /nfs/dbraw/zinc/85/89/33/208858933.db2.gz GEQSDRDLIRFABC-UHFFFAOYSA-N 1 2 387.530 3.727 50 0 GHAALO CN(C)c1ccc(N[C@@H]2CCCN(C(=O)c3cccc4[nH]ccc43)CC2)c[nH+]1 ZINC000241316809 209020371 /nfs/dbraw/zinc/02/03/71/209020371.db2.gz LVAVJYCXCPPVDZ-MRXNPFEDSA-N 1 2 377.492 3.736 50 0 GHAALO COc1ccccc1NC(=O)CN1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000252536650 209036772 /nfs/dbraw/zinc/03/67/72/209036772.db2.gz JBHMYNSTOBMIJY-SNAWJCMRSA-N 1 2 399.922 3.618 50 0 GHAALO Cc1ccc(C[NH+]2CCN(C(=O)c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000016604055 221367032 /nfs/dbraw/zinc/36/70/32/221367032.db2.gz NXHBMTIESICDIX-UHFFFAOYSA-N 1 2 384.348 3.649 50 0 GHAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)N[C@H]1CCCc2ccccc21 ZINC000058135174 136154543 /nfs/dbraw/zinc/15/45/43/136154543.db2.gz QDRVMEBFTYDABU-NRFANRHFSA-N 1 2 383.923 3.656 50 0 GHAALO CC[C@@H](C)c1ccc(S(=O)(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000058316890 136155242 /nfs/dbraw/zinc/15/52/42/136155242.db2.gz RZQOZWPWKPGHNQ-QGZVFWFLSA-N 1 2 387.549 3.885 50 0 GHAALO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000058447214 136155553 /nfs/dbraw/zinc/15/55/53/136155553.db2.gz VTOWZCKBJXTYMT-OAQYLSRUSA-N 1 2 397.950 3.964 50 0 GHAALO Cc1ccc(NC(=O)Cn2ncc3c2nc[nH+]c3N2CCC(C)CC2)cc1Cl ZINC000065295550 136162738 /nfs/dbraw/zinc/16/27/38/136162738.db2.gz GTKJIXBNNHQTDO-UHFFFAOYSA-N 1 2 398.898 3.663 50 0 GHAALO Cc1cccc2[nH+]c(C3CCN(c4cc(C(=O)NC5CC5)ccn4)CC3)[nH]c21 ZINC000096148199 136184606 /nfs/dbraw/zinc/18/46/06/136184606.db2.gz PLCFUUSLKOIILQ-UHFFFAOYSA-N 1 2 375.476 3.543 50 0 GHAALO Cc1cccc2[nH]c(C3CCN(c4cc(C(=O)NC5CC5)ccn4)CC3)[nH+]c21 ZINC000096148199 136184607 /nfs/dbraw/zinc/18/46/07/136184607.db2.gz PLCFUUSLKOIILQ-UHFFFAOYSA-N 1 2 375.476 3.543 50 0 GHAALO Cc1cc(/C=C\C(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)n1Cc1ccco1 ZINC000096536723 136187329 /nfs/dbraw/zinc/18/73/29/136187329.db2.gz FWPVHUKWEGKJMU-HJWRWDBZSA-N 1 2 390.487 3.503 50 0 GHAALO O=C(c1ncc(C(F)(F)F)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000263639972 209081482 /nfs/dbraw/zinc/08/14/82/209081482.db2.gz QNUUTOLLSGKJLQ-UHFFFAOYSA-N 1 2 383.801 3.712 50 0 GHAALO O[C@@H](c1ccncc1)c1ccc2c(c1)C[N@@H+](Cc1ccc(F)c(F)c1)CCO2 ZINC000299759932 209084537 /nfs/dbraw/zinc/08/45/37/209084537.db2.gz PIVTZFDLJCHQRO-QFIPXVFZSA-N 1 2 382.410 3.836 50 0 GHAALO O[C@@H](c1ccncc1)c1ccc2c(c1)C[N@H+](Cc1ccc(F)c(F)c1)CCO2 ZINC000299759932 209084540 /nfs/dbraw/zinc/08/45/40/209084540.db2.gz PIVTZFDLJCHQRO-QFIPXVFZSA-N 1 2 382.410 3.836 50 0 GHAALO COc1ccc(Cl)c2c(=O)c(C[NH+]3CCN(c4ccccc4)CC3)c(C)[nH]c12 ZINC000019793518 536543964 /nfs/dbraw/zinc/54/39/64/536543964.db2.gz FGLMKWNRKPJXFE-UHFFFAOYSA-N 1 2 397.906 3.821 50 0 GHAALO CCCOC(=O)c1ccc(NC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000048020323 570217620 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570964923 /nfs/dbraw/zinc/96/49/23/570964923.db2.gz FADGCXSBFIJQAM-HDICACEKSA-N 1 2 379.504 3.886 50 0 GHAALO COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CCn1cc[nH+]c1)CC2 ZINC000072280527 570965339 /nfs/dbraw/zinc/96/53/39/570965339.db2.gz FCONJCYUATYCNE-NRFANRHFSA-N 1 2 397.500 3.526 50 0 GHAALO Cc1cccn2cc(CNc3cc(C(F)(F)F)cc4c3OCC(=O)N4)[nH+]c12 ZINC000170652400 570998441 /nfs/dbraw/zinc/99/84/41/570998441.db2.gz RVBKUMYONCYZSF-UHFFFAOYSA-N 1 2 376.338 3.605 50 0 GHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccccc2OC[C@@H]2CCCO2)c1C ZINC000195002317 837318683 /nfs/dbraw/zinc/31/86/83/837318683.db2.gz RVCLRYTUPSVLSI-KRWDZBQOSA-N 1 2 384.476 3.537 50 0 GHAALO Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC(Cn3cc[nH+]c3)CC1)CC(C)(C)O2 ZINC000584895477 841187727 /nfs/dbraw/zinc/18/77/27/841187727.db2.gz IRESOEFTRSQIDV-IBGZPJMESA-N 1 2 382.508 3.916 50 0 GHAALO Cc1ccccc1N1CCN(C(=O)c2ccc(-c3ccc[nH+]c3N)cc2)[C@H](C)C1 ZINC000584899887 841199933 /nfs/dbraw/zinc/19/99/33/841199933.db2.gz DOBZJSWHVWZPOS-GOSISDBHSA-N 1 2 386.499 3.990 50 0 GHAALO Cc1cc(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(C)n1C1CC1 ZINC000057289883 861944980 /nfs/dbraw/zinc/94/49/80/861944980.db2.gz AXEJBOQHMZMUSV-UHFFFAOYSA-N 1 2 379.504 3.973 50 0 GHAALO O=C(c1cc2cc(Cl)ccn2n1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000368109732 859830164 /nfs/dbraw/zinc/83/01/64/859830164.db2.gz PNBBMHJZWZSUSC-AWEZNQCLSA-N 1 2 383.883 3.540 50 0 GHAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)Nc2cccc(C)c2)CC1 ZINC000022460667 861127988 /nfs/dbraw/zinc/12/79/88/861127988.db2.gz OVDQDHUTZFOXFF-YLJYHZDGSA-N 1 2 386.565 3.945 50 0 GHAALO Cc1c[nH+]c([C@@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)n1Cc1ccccc1 ZINC000575317389 865991051 /nfs/dbraw/zinc/99/10/51/865991051.db2.gz HYSRFLKYBRYJEF-OAQYLSRUSA-N 1 2 395.528 3.559 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000575547337 866187452 /nfs/dbraw/zinc/18/74/52/866187452.db2.gz ZQZRCZUPABLBGM-FQEVSTJZSA-N 1 2 378.451 3.799 50 0 GHAALO CCOc1ccccc1NC(=O)N1CCC(Cn2c(C)c[nH+]c2COC)CC1 ZINC000575549057 866188735 /nfs/dbraw/zinc/18/87/35/866188735.db2.gz GSPHAOMCMHUXRX-UHFFFAOYSA-N 1 2 386.496 3.681 50 0 GHAALO O=C([C@H]1CCCO1)N1CCC(Cc2ccc(COc3cc[nH+]cc3)cc2)CC1 ZINC000575553115 866193437 /nfs/dbraw/zinc/19/34/37/866193437.db2.gz VKIDQNJMHVGXLX-JOCHJYFZSA-N 1 2 380.488 3.621 50 0 GHAALO COc1ccc(C(=O)N2CCC[C@H](n3c(C)c[nH+]c3-c3ccccc3)C2)cn1 ZINC000581805543 870027366 /nfs/dbraw/zinc/02/73/66/870027366.db2.gz CBNOSHZOVANAET-IBGZPJMESA-N 1 2 376.460 3.739 50 0 GHAALO COc1ccc(C(=O)N2CCC[C@H](n3c(C)c[nH+]c3-c3cccnc3)C2)cc1F ZINC000581805829 870028058 /nfs/dbraw/zinc/02/80/58/870028058.db2.gz GIAGGYSGHNMRLT-SFHVURJKSA-N 1 2 394.450 3.879 50 0 GHAALO COc1ccc(C(=O)N2CCC(Cn3c(C)c[nH+]c3-c3cccnc3)CC2)cc1 ZINC000581808378 870039962 /nfs/dbraw/zinc/03/99/62/870039962.db2.gz PEXFZEWDOXNHMC-UHFFFAOYSA-N 1 2 390.487 3.815 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1CCC1CCN(C(=O)c2cn(C)nc2C)CC1 ZINC000581813853 870057416 /nfs/dbraw/zinc/05/74/16/870057416.db2.gz JAAJZVIDSVQXNU-UHFFFAOYSA-N 1 2 391.519 3.843 50 0 GHAALO CCOc1ccc(C2=CC[N@H+](Cc3nc4ccccc4c(=O)n3C)CC2)cc1 ZINC000131011596 923286720 /nfs/dbraw/zinc/28/67/20/923286720.db2.gz RYANJSQHIAFIBM-UHFFFAOYSA-N 1 2 375.472 3.622 50 0 GHAALO CCOc1ccc(C2=CC[N@@H+](Cc3nc4ccccc4c(=O)n3C)CC2)cc1 ZINC000131011596 923286726 /nfs/dbraw/zinc/28/67/26/923286726.db2.gz RYANJSQHIAFIBM-UHFFFAOYSA-N 1 2 375.472 3.622 50 0 GHAALO Cc1nn(C)c(Oc2cccnc2)c1C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000158919065 1020077640 /nfs/dbraw/zinc/07/76/40/1020077640.db2.gz JUGQPLIJTXFPEH-UHFFFAOYSA-N 1 2 391.519 3.855 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCO[C@@H](CC)C4)csc3C2)nc1 ZINC000426545433 529642966 /nfs/dbraw/zinc/64/29/66/529642966.db2.gz QVRXMNFBPXSFKF-SFHVURJKSA-N 1 2 399.560 3.515 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCO[C@@H](CC)C4)csc3C2)nc1 ZINC000426545433 529642969 /nfs/dbraw/zinc/64/29/69/529642969.db2.gz QVRXMNFBPXSFKF-SFHVURJKSA-N 1 2 399.560 3.515 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000008216117 206742085 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3.514 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000017521545 207089637 /nfs/dbraw/zinc/08/96/37/207089637.db2.gz VFYVRKAPUCPRAO-INIZCTEOSA-N 1 2 395.406 3.507 50 0 GHAALO O=C(Nc1ccc(Br)cc1F)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020363006 207190010 /nfs/dbraw/zinc/19/00/10/207190010.db2.gz VXDWXHXJEDEALR-UHFFFAOYSA-N 1 2 393.256 3.673 50 0 GHAALO Cc1cccc(-c2nc3c(c(SCC[NH+]4CCOCC4)n2)COC(C)(C)C3)c1 ZINC000020548211 207202615 /nfs/dbraw/zinc/20/26/15/207202615.db2.gz VVSWTEBKNKQEER-UHFFFAOYSA-N 1 2 399.560 3.728 50 0 GHAALO OCC[C@H]1CN(C/C(Cl)=C/c2ccccc2)CC[N@@H+]1Cc1ccsc1 ZINC000020912661 207218838 /nfs/dbraw/zinc/21/88/38/207218838.db2.gz AVEHVLSNTHDLLK-CBXNMNPBSA-N 1 2 376.953 3.897 50 0 GHAALO OCC[C@H]1CN(C/C(Cl)=C/c2ccccc2)CC[N@H+]1Cc1ccsc1 ZINC000020912661 207218841 /nfs/dbraw/zinc/21/88/41/207218841.db2.gz AVEHVLSNTHDLLK-CBXNMNPBSA-N 1 2 376.953 3.897 50 0 GHAALO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022916275 207264415 /nfs/dbraw/zinc/26/44/15/207264415.db2.gz CEBZURKWMLVCIA-ZDUSSCGKSA-N 1 2 381.904 3.685 50 0 GHAALO C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000022801882 207261766 /nfs/dbraw/zinc/26/17/66/207261766.db2.gz FKMRPSZGRPRWPP-HNNXBMFYSA-N 1 2 384.430 3.894 50 0 GHAALO Cc1cc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](Cc3cccs3)CC2)no1 ZINC000022935358 207264658 /nfs/dbraw/zinc/26/46/58/207264658.db2.gz UEEJUIAGBWHCBB-FQEVSTJZSA-N 1 2 396.516 3.542 50 0 GHAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000023763800 207282222 /nfs/dbraw/zinc/28/22/22/207282222.db2.gz ALLKNLMLWVDNNG-RDTXWAMCSA-N 1 2 377.444 3.592 50 0 GHAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000023763800 207282227 /nfs/dbraw/zinc/28/22/27/207282227.db2.gz ALLKNLMLWVDNNG-RDTXWAMCSA-N 1 2 377.444 3.592 50 0 GHAALO CC(=O)c1cc(CCC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)oc1C ZINC000023777928 207283543 /nfs/dbraw/zinc/28/35/43/207283543.db2.gz UHLGDOZFKFLIQC-FQEVSTJZSA-N 1 2 383.423 3.502 50 0 GHAALO O=C(c1ccco1)N1CC[NH+](Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000023956022 207284386 /nfs/dbraw/zinc/28/43/86/207284386.db2.gz PEAKKBJJXQARGW-UHFFFAOYSA-N 1 2 392.484 3.614 50 0 GHAALO C[N@@H+]1CCc2nc(NC(=O)COc3ccccc3Cc3ccccc3)sc2C1 ZINC000023608109 207279405 /nfs/dbraw/zinc/27/94/05/207279405.db2.gz JWFNKXNMSHNLIE-UHFFFAOYSA-N 1 2 393.512 3.739 50 0 GHAALO C[N@H+]1CCc2nc(NC(=O)COc3ccccc3Cc3ccccc3)sc2C1 ZINC000023608109 207279412 /nfs/dbraw/zinc/27/94/12/207279412.db2.gz JWFNKXNMSHNLIE-UHFFFAOYSA-N 1 2 393.512 3.739 50 0 GHAALO CC(C)c1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c2cnn(C(C)C)c2n1 ZINC000023608611 207280456 /nfs/dbraw/zinc/28/04/56/207280456.db2.gz TZIGRLHYGQHJPX-UHFFFAOYSA-N 1 2 398.536 3.832 50 0 GHAALO CC(C)c1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c2cnn(C(C)C)c2n1 ZINC000023608611 207280459 /nfs/dbraw/zinc/28/04/59/207280459.db2.gz TZIGRLHYGQHJPX-UHFFFAOYSA-N 1 2 398.536 3.832 50 0 GHAALO CC(=O)c1ccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000025661458 207305544 /nfs/dbraw/zinc/30/55/44/207305544.db2.gz NNFQAOVMRRIKGL-NRFANRHFSA-N 1 2 379.456 3.924 50 0 GHAALO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000025661458 207305547 /nfs/dbraw/zinc/30/55/47/207305547.db2.gz NNFQAOVMRRIKGL-NRFANRHFSA-N 1 2 379.456 3.924 50 0 GHAALO C[N@@H+]1CCN(C(=O)c2cc3c(nc4sccn34)s2)[C@@H](c2ccccc2)C1 ZINC000030030428 207370375 /nfs/dbraw/zinc/37/03/75/207370375.db2.gz AANVWNVCRFSJLT-OAHLLOKOSA-N 1 2 382.514 3.739 50 0 GHAALO C[N@H+]1CCN(C(=O)c2cc3c(nc4sccn34)s2)[C@@H](c2ccccc2)C1 ZINC000030030428 207370379 /nfs/dbraw/zinc/37/03/79/207370379.db2.gz AANVWNVCRFSJLT-OAHLLOKOSA-N 1 2 382.514 3.739 50 0 GHAALO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030517506 207371769 /nfs/dbraw/zinc/37/17/69/207371769.db2.gz UHKQMSZJTBIUMC-UHFFFAOYSA-N 1 2 385.471 3.664 50 0 GHAALO O=C(c1cc(-c2ccco2)nc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000031808720 207385764 /nfs/dbraw/zinc/38/57/64/207385764.db2.gz WKRIBQZMBRCUGI-UHFFFAOYSA-N 1 2 384.439 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50 0 GHAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(-c2cccc(OC(C)C)c2)nc1 ZINC000067947958 570797840 /nfs/dbraw/zinc/79/78/40/570797840.db2.gz FUWHKZHLZYACNW-UHFFFAOYSA-N 1 2 378.476 3.932 50 0 GHAALO O=C(C1c2ccccc2Oc2ccccc21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000012516576 570825614 /nfs/dbraw/zinc/82/56/14/570825614.db2.gz HUNYHGMLUPFWJL-UHFFFAOYSA-N 1 2 385.467 3.664 50 0 GHAALO O=C(Nc1cc2c(cc1Cl)OCCO2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000065576333 570836011 /nfs/dbraw/zinc/83/60/11/570836011.db2.gz NNHINMZTSPBYMK-UHFFFAOYSA-N 1 2 393.896 3.522 50 0 GHAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1csc(-c2cccs2)n1 ZINC000032823471 570838077 /nfs/dbraw/zinc/83/80/77/570838077.db2.gz WUTVOPJAPZTWFK-INIZCTEOSA-N 1 2 399.541 3.675 50 0 GHAALO Cc1cc(C)c(OCC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c(C)c1 ZINC000012549654 570851209 /nfs/dbraw/zinc/85/12/09/570851209.db2.gz CZGOKMQKUNVBSL-FQEVSTJZSA-N 1 2 381.451 3.769 50 0 GHAALO c1cc2c(nc(NC3CCCC3)cc2-c2ccc(C[NH+]3CCOCC3)cn2)[nH]1 ZINC000072145871 570871486 /nfs/dbraw/zinc/87/14/86/570871486.db2.gz PEYHLYPKVNFPFW-UHFFFAOYSA-N 1 2 377.492 3.812 50 0 GHAALO CC(C)[C@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000032889658 570889013 /nfs/dbraw/zinc/88/90/13/570889013.db2.gz JXWQXMJYWAVLRE-QFIPXVFZSA-N 1 2 399.510 3.854 50 0 GHAALO Cc1cc(C(=O)Nc2nnc(SCc3cn4ccccc4[nH+]3)s2)c(C)o1 ZINC000042379246 570890179 /nfs/dbraw/zinc/89/01/79/570890179.db2.gz RWMWTYKHTXMZFE-UHFFFAOYSA-N 1 2 385.474 3.940 50 0 GHAALO CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000013323447 570895241 /nfs/dbraw/zinc/89/52/41/570895241.db2.gz LFEXKAZBKSPLLE-WOJBJXKFSA-N 1 2 375.532 3.669 50 0 GHAALO O=C(N[C@H](CO)CC1CCCCC1)c1cccc(-c2[nH+]cnc3[nH]ccc32)c1 ZINC000534656680 570916027 /nfs/dbraw/zinc/91/60/27/570916027.db2.gz SVAVRGYNMXJTDK-SFHVURJKSA-N 1 2 378.476 3.638 50 0 GHAALO CCn1ncc(-c2cccc(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)c2)c1C ZINC000534649369 570917763 /nfs/dbraw/zinc/91/77/63/570917763.db2.gz PDQRMYJQFNYDMV-SFHVURJKSA-N 1 2 377.492 3.627 50 0 GHAALO COc1c(C)c[nH+]c(CSc2nnc([C@H]3COc4ccccc4O3)o2)c1C ZINC000170632876 570925469 /nfs/dbraw/zinc/92/54/69/570925469.db2.gz VTLYWEIEXKDAJJ-MRXNPFEDSA-N 1 2 385.445 3.895 50 0 GHAALO O=C(Nc1ccc(Br)cc1)c1ccccc1C[NH+]1CCOCC1 ZINC000170635969 570932396 /nfs/dbraw/zinc/93/23/96/570932396.db2.gz PTBKSLNLWUNEBZ-UHFFFAOYSA-N 1 2 375.266 3.534 50 0 GHAALO Cc1ccccc1NC(=S)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182171 570945140 /nfs/dbraw/zinc/94/51/40/570945140.db2.gz GAZVSJWYGOUUHF-MAUKXSAKSA-N 1 2 375.563 3.805 50 0 GHAALO CCC[N@H+](CC(=O)N1CCc2ccccc21)Cc1nnc(-c2cccs2)o1 ZINC000007589730 570949506 /nfs/dbraw/zinc/94/95/06/570949506.db2.gz BMRPMXZIVOTUDY-UHFFFAOYSA-N 1 2 382.489 3.599 50 0 GHAALO CCC[N@@H+](CC(=O)N1CCc2ccccc21)Cc1nnc(-c2cccs2)o1 ZINC000007589730 570949508 /nfs/dbraw/zinc/94/95/08/570949508.db2.gz BMRPMXZIVOTUDY-UHFFFAOYSA-N 1 2 382.489 3.599 50 0 GHAALO Fc1cc(Br)c(C[NH2+]Cc2ccno2)c(N2CCCCC2)c1F ZINC000585138651 570951339 /nfs/dbraw/zinc/95/13/39/570951339.db2.gz YHOYNHLLSZZGQJ-UHFFFAOYSA-N 1 2 386.240 3.995 50 0 GHAALO COc1ccc(/C=C\C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1OC ZINC000033288762 570956028 /nfs/dbraw/zinc/95/60/28/570956028.db2.gz SDGONGUYCYLNTL-GAFAEJDHSA-N 1 2 392.499 3.575 50 0 GHAALO COc1ccc(OC)c(C[NH2+]Cc2c(Br)cc(OC)cc2OC)c1 ZINC000083925576 570980437 /nfs/dbraw/zinc/98/04/37/570980437.db2.gz GNTHBXRAKHQCAN-UHFFFAOYSA-N 1 2 396.281 3.773 50 0 GHAALO FC(F)(F)c1cccc(-n2nnnc2C2([NH2+]Cc3ccco3)CCCC2)c1 ZINC000046078263 571021242 /nfs/dbraw/zinc/02/12/42/571021242.db2.gz OVNUWRGZVDNZMD-UHFFFAOYSA-N 1 2 377.370 3.833 50 0 GHAALO Cn1c(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc2cc(C(F)(F)F)ccc21 ZINC000177775357 837186335 /nfs/dbraw/zinc/18/63/35/837186335.db2.gz JLIWVEYBQPVTDZ-HNNXBMFYSA-N 1 2 376.382 3.698 50 0 GHAALO Fc1ccc(C[NH+]2CCC(F)(c3nc(-c4cnccn4)no3)CC2)c(Cl)c1 ZINC000257178370 838773360 /nfs/dbraw/zinc/77/33/60/838773360.db2.gz BSNYESJHAMXRDG-UHFFFAOYSA-N 1 2 391.809 3.780 50 0 GHAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)c1cccc2ccccc21 ZINC000056997446 861858880 /nfs/dbraw/zinc/85/88/80/861858880.db2.gz HCBFCPXDEOELCL-UHFFFAOYSA-N 1 2 377.463 3.531 50 0 GHAALO COC1CC[NH+](CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)CC1 ZINC000008923526 856655004 /nfs/dbraw/zinc/65/50/04/856655004.db2.gz QPGWRLGRZKPAGJ-UHFFFAOYSA-N 1 2 399.560 3.666 50 0 GHAALO CCOc1cc2c(cc1CNC(=O)c1cccc(Cn3cc[nH+]c3)c1)O[C@H](C)C2 ZINC000040115477 856668932 /nfs/dbraw/zinc/66/89/32/856668932.db2.gz ZRQUKZOTMNHZTM-MRXNPFEDSA-N 1 2 391.471 3.584 50 0 GHAALO CCc1nnc(C[NH+]2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)o1 ZINC000069776639 857042056 /nfs/dbraw/zinc/04/20/56/857042056.db2.gz WNKRMSYTTLUHCP-HXUWFJFHSA-N 1 2 396.535 3.929 50 0 GHAALO Cc1cc2nc(-c3ccc(CNC(=O)[C@@H]4CCn5c[nH+]cc5C4)cc3)[nH]c2cc1C ZINC000095972838 860727275 /nfs/dbraw/zinc/72/72/75/860727275.db2.gz IIIXPKNOJBNMHN-LJQANCHMSA-N 1 2 399.498 3.922 50 0 GHAALO COc1cc([C@@H](c2c(C)[nH]c3ccccc32)[NH+]2CCOCC2)cc(OC)c1OC ZINC000021670515 860891552 /nfs/dbraw/zinc/89/15/52/860891552.db2.gz ZXFMWBLSMWEDIZ-QFIPXVFZSA-N 1 2 396.487 3.924 50 0 GHAALO CC1=C(c2ccccc2)[C@@H]1C(=O)NCC1CC[NH+](Cc2nnc(C(C)C)o2)CC1 ZINC000827688899 865073409 /nfs/dbraw/zinc/07/34/09/865073409.db2.gz MTYSEZWIAXYMFF-OAQYLSRUSA-N 1 2 394.519 3.625 50 0 GHAALO CO[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)[C@H]1c1ccncc1 ZINC000575553834 866193644 /nfs/dbraw/zinc/19/36/44/866193644.db2.gz KDGRMHYRUPHKSF-VXKWHMMOSA-N 1 2 394.519 3.767 50 0 GHAALO CO[C@H]1C[N@H+](C2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)[C@H]1c1ccncc1 ZINC000575553834 866193655 /nfs/dbraw/zinc/19/36/55/866193655.db2.gz KDGRMHYRUPHKSF-VXKWHMMOSA-N 1 2 394.519 3.767 50 0 GHAALO CC(C)(C)NC(=O)N1CCC2(CC1)C[C@H](CCOc1cc[nH+]cc1)CCO2 ZINC000575553476 866193887 /nfs/dbraw/zinc/19/38/87/866193887.db2.gz SZSVUVXMVANCFT-QGZVFWFLSA-N 1 2 375.513 3.620 50 0 GHAALO COC(=O)c1c(NC(=O)C[N@H+](C)Cc2cccc(F)c2)sc2c1CCCC2 ZINC000007843484 877961003 /nfs/dbraw/zinc/96/10/03/877961003.db2.gz YJAGJJDHBXJXGH-UHFFFAOYSA-N 1 2 390.480 3.623 50 0 GHAALO COC(=O)c1c(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)sc2c1CCCC2 ZINC000007843484 877961008 /nfs/dbraw/zinc/96/10/08/877961008.db2.gz YJAGJJDHBXJXGH-UHFFFAOYSA-N 1 2 390.480 3.623 50 0 GHAALO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)n(-c2ccc(C)cc2)n1 ZINC000007855710 878498267 /nfs/dbraw/zinc/49/82/67/878498267.db2.gz LIVTXTHJMRHQRR-HXUWFJFHSA-N 1 2 377.492 3.603 50 0 GHAALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)n(-c2ccc(C)cc2)n1 ZINC000007855710 878498273 /nfs/dbraw/zinc/49/82/73/878498273.db2.gz LIVTXTHJMRHQRR-HXUWFJFHSA-N 1 2 377.492 3.603 50 0 GHAALO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(-c3ccncc3F)s1)CCCO2 ZINC000366892194 890762637 /nfs/dbraw/zinc/76/26/37/890762637.db2.gz ZBEIEWRKZJTUKN-INIZCTEOSA-N 1 2 386.452 3.751 50 0 GHAALO Cc1cc(N2CCN([C@H](C)C(=O)Nc3ccc(C)c(F)c3)CC2)nc(C(C)C)[nH+]1 ZINC000012778156 206937162 /nfs/dbraw/zinc/93/71/62/206937162.db2.gz UKPFXDUEJQCRHB-QGZVFWFLSA-N 1 2 399.514 3.505 50 0 GHAALO Cc1cccc(OCC[N@@H+](C)Cc2nc(N)nc(Nc3ccc(Cl)cc3)n2)c1 ZINC000014079575 207009364 /nfs/dbraw/zinc/00/93/64/207009364.db2.gz UTILYUFWWDPDOR-UHFFFAOYSA-N 1 2 398.898 3.670 50 0 GHAALO Cc1cccc(OCC[N@H+](C)Cc2nc(N)nc(Nc3ccc(Cl)cc3)n2)c1 ZINC000014079575 207009370 /nfs/dbraw/zinc/00/93/70/207009370.db2.gz UTILYUFWWDPDOR-UHFFFAOYSA-N 1 2 398.898 3.670 50 0 GHAALO O[C@@H](c1ccccc1)C1CC[NH+](Cc2nc(Cc3ccccc3F)no2)CC1 ZINC000014970274 207034515 /nfs/dbraw/zinc/03/45/15/207034515.db2.gz JOZWTABALDSTFO-QFIPXVFZSA-N 1 2 381.451 3.745 50 0 GHAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)cc1OC ZINC000015076669 207046361 /nfs/dbraw/zinc/04/63/61/207046361.db2.gz OISWLKUEYCKEFZ-INIZCTEOSA-N 1 2 379.460 3.675 50 0 GHAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)cc1OC ZINC000015076669 207046364 /nfs/dbraw/zinc/04/63/64/207046364.db2.gz OISWLKUEYCKEFZ-INIZCTEOSA-N 1 2 379.460 3.675 50 0 GHAALO Cc1ccc(N[C@H]2CCCN(C(=O)C[N@@H+]3CCOc4ccccc4C3)C2)cc1C ZINC000015064106 207043490 /nfs/dbraw/zinc/04/34/90/207043490.db2.gz OZPGUTLPLSIWRQ-QFIPXVFZSA-N 1 2 393.531 3.601 50 0 GHAALO Cc1ccc(N[C@H]2CCCN(C(=O)C[N@H+]3CCOc4ccccc4C3)C2)cc1C ZINC000015064106 207043493 /nfs/dbraw/zinc/04/34/93/207043493.db2.gz OZPGUTLPLSIWRQ-QFIPXVFZSA-N 1 2 393.531 3.601 50 0 GHAALO CSc1ccc(C[N@H+](C)Cc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1 ZINC000015480896 207051417 /nfs/dbraw/zinc/05/14/17/207051417.db2.gz IGUAGGQVMKQNOT-UHFFFAOYSA-N 1 2 380.521 3.860 50 0 GHAALO CSc1ccc(C[N@@H+](C)Cc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1 ZINC000015480896 207051423 /nfs/dbraw/zinc/05/14/23/207051423.db2.gz IGUAGGQVMKQNOT-UHFFFAOYSA-N 1 2 380.521 3.860 50 0 GHAALO CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000015547574 207052910 /nfs/dbraw/zinc/05/29/10/207052910.db2.gz MXLIIUFPMRHKER-KRWDZBQOSA-N 1 2 387.505 3.663 50 0 GHAALO CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000015547574 207052913 /nfs/dbraw/zinc/05/29/13/207052913.db2.gz MXLIIUFPMRHKER-KRWDZBQOSA-N 1 2 387.505 3.663 50 0 GHAALO C[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018049125 207091893 /nfs/dbraw/zinc/09/18/93/207091893.db2.gz UTQYGKAMPZTGNC-LIRRHRJNSA-N 1 2 392.484 3.553 50 0 GHAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)c1 ZINC000019551569 207131755 /nfs/dbraw/zinc/13/17/55/207131755.db2.gz XSTUXIJZSLIHKI-UHFFFAOYSA-N 1 2 390.483 3.815 50 0 GHAALO O=S(=O)(c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019597025 207144204 /nfs/dbraw/zinc/14/42/04/207144204.db2.gz OCDSUQYYFNWFDM-UHFFFAOYSA-N 1 2 392.524 3.783 50 0 GHAALO COc1ccc(C[NH+]2CCN(C(=O)CC(C)C)CC2)cc1OCc1ccccc1 ZINC000019790170 207160267 /nfs/dbraw/zinc/16/02/67/207160267.db2.gz HHWOXXAHNHXMKF-UHFFFAOYSA-N 1 2 396.531 3.965 50 0 GHAALO O=C(c1ccc(Br)o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019832360 207164754 /nfs/dbraw/zinc/16/47/54/207164754.db2.gz USZCXVACDLGCQB-QPJJXVBHSA-N 1 2 375.266 3.513 50 0 GHAALO O=C(CSc1nc2ccccc2[nH]1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020031994 207175111 /nfs/dbraw/zinc/17/51/11/207175111.db2.gz OXAVTVZNEASHQP-RMKNXTFCSA-N 1 2 392.528 3.513 50 0 GHAALO CCC(C)(C)[C@H]1CCc2sc3ncnc(NCC[NH+]4CCOCC4)c3c2C1 ZINC000020149839 207180528 /nfs/dbraw/zinc/18/05/28/207180528.db2.gz WSLZUAAUDKFHBW-HNNXBMFYSA-N 1 2 388.581 3.977 50 0 GHAALO COc1cccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@H+](C(C)C)CC4)c1 ZINC000020289864 207185494 /nfs/dbraw/zinc/18/54/94/207185494.db2.gz WVLOAPJMXZNFOP-UHFFFAOYSA-N 1 2 396.516 3.906 50 0 GHAALO COc1cccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@@H+](C(C)C)CC4)c1 ZINC000020289864 207185498 /nfs/dbraw/zinc/18/54/98/207185498.db2.gz WVLOAPJMXZNFOP-UHFFFAOYSA-N 1 2 396.516 3.906 50 0 GHAALO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1C ZINC000020395023 207192186 /nfs/dbraw/zinc/19/21/86/207192186.db2.gz GFSBZARYOMOINL-UHFFFAOYSA-N 1 2 394.540 3.963 50 0 GHAALO Cc1nc(Nc2ccc(NC(=O)c3ccccc3)cc2)cc(N2CCOCC2)[nH+]1 ZINC000021794427 207238017 /nfs/dbraw/zinc/23/80/17/207238017.db2.gz GVQUVUAZFNZJAC-UHFFFAOYSA-N 1 2 389.459 3.618 50 0 GHAALO CCc1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)cc1 ZINC000022788327 207260481 /nfs/dbraw/zinc/26/04/81/207260481.db2.gz BEWNVRZFNFITNC-QGZVFWFLSA-N 1 2 399.510 3.542 50 0 GHAALO CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(Cc3ccc(OC)c(F)c3)CC2)cc1 ZINC000022788327 207260486 /nfs/dbraw/zinc/26/04/86/207260486.db2.gz BEWNVRZFNFITNC-QGZVFWFLSA-N 1 2 399.510 3.542 50 0 GHAALO C[N@@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@H](O)c1ccccc1 ZINC000023130714 207270302 /nfs/dbraw/zinc/27/03/02/207270302.db2.gz GBBBQTOYDURCKD-KRWDZBQOSA-N 1 2 391.393 3.845 50 0 GHAALO C[N@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@H](O)c1ccccc1 ZINC000023130714 207270304 /nfs/dbraw/zinc/27/03/04/207270304.db2.gz GBBBQTOYDURCKD-KRWDZBQOSA-N 1 2 391.393 3.845 50 0 GHAALO CC(=O)N1CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)CC1 ZINC000023339889 207275446 /nfs/dbraw/zinc/27/54/46/207275446.db2.gz BCBMQSWJVHRPDL-UHFFFAOYSA-N 1 2 392.478 3.651 50 0 GHAALO O=C(C[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1)NCCC1=CCCCC1 ZINC000022923229 207264751 /nfs/dbraw/zinc/26/47/51/207264751.db2.gz GWYZWITWUKSDJV-UHFFFAOYSA-N 1 2 393.934 3.603 50 0 GHAALO Cc1c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000023778135 207282678 /nfs/dbraw/zinc/28/26/78/207282678.db2.gz ZLUSYGGWLWKOAA-HXUWFJFHSA-N 1 2 389.434 3.573 50 0 GHAALO C[C@H]1CCCC[C@@]12NC(=O)N(C[N@H+](C)Cc1ccccc1N1CCCCC1)C2=O ZINC000023653860 207280147 /nfs/dbraw/zinc/28/01/47/207280147.db2.gz DCSMMPSNQWRKAJ-FDDCHVKYSA-N 1 2 398.551 3.567 50 0 GHAALO C[C@H]1CCCC[C@@]12NC(=O)N(C[N@@H+](C)Cc1ccccc1N1CCCCC1)C2=O ZINC000023653860 207280152 /nfs/dbraw/zinc/28/01/52/207280152.db2.gz DCSMMPSNQWRKAJ-FDDCHVKYSA-N 1 2 398.551 3.567 50 0 GHAALO COc1ccccc1NC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000024971382 207297802 /nfs/dbraw/zinc/29/78/02/207297802.db2.gz GUDXMHQLVOWZGQ-UHFFFAOYSA-N 1 2 389.883 3.577 50 0 GHAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000024259055 207288723 /nfs/dbraw/zinc/28/87/23/207288723.db2.gz YYSAXHGXOIGRIE-SFHVURJKSA-N 1 2 379.287 3.797 50 0 GHAALO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CC(=O)Nc1cc(C(C)C)no1 ZINC000024240792 207289418 /nfs/dbraw/zinc/28/94/18/207289418.db2.gz LHIARYCAOAGMKN-UHFFFAOYSA-N 1 2 381.480 3.671 50 0 GHAALO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC(=O)Nc1cc(C(C)C)no1 ZINC000024240792 207289421 /nfs/dbraw/zinc/28/94/21/207289421.db2.gz LHIARYCAOAGMKN-UHFFFAOYSA-N 1 2 381.480 3.671 50 0 GHAALO O=C(Nc1ncccc1O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000024469384 207292280 /nfs/dbraw/zinc/29/22/80/207292280.db2.gz FKCVWRMFEKZXQU-UHFFFAOYSA-N 1 2 376.441 3.980 50 0 GHAALO Cc1nc2ccccc2n1CC1CC[NH+](CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000038535746 207309362 /nfs/dbraw/zinc/30/93/62/207309362.db2.gz XCJLTEMGIUHDJF-UHFFFAOYSA-N 1 2 398.457 3.974 50 0 GHAALO COCc1ccccc1CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000029734946 207367834 /nfs/dbraw/zinc/36/78/34/207367834.db2.gz GRFQLSAXKFJZFF-IBGZPJMESA-N 1 2 398.894 3.809 50 0 GHAALO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000065493001 207870802 /nfs/dbraw/zinc/87/08/02/207870802.db2.gz YRZBKCUNQATIRB-QGZVFWFLSA-N 1 2 379.464 3.682 50 0 GHAALO COc1ccccc1-c1ccc(=O)n(C[NH+]2CCC(c3ccccc3)CC2)n1 ZINC000072403691 208015069 /nfs/dbraw/zinc/01/50/69/208015069.db2.gz VGELBBBVXVACSW-UHFFFAOYSA-N 1 2 375.472 3.756 50 0 GHAALO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1coc(-c2ccc(OC)cc2)n1)c1ccccc1 ZINC000079025913 208068650 /nfs/dbraw/zinc/06/86/50/208068650.db2.gz DLCMCPUVISGIKZ-FOIQADDNSA-N 1 2 380.444 3.990 50 0 GHAALO CCn1c(C)cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)c1C ZINC000095506832 208206345 /nfs/dbraw/zinc/20/63/45/208206345.db2.gz JSDDBCQFLOJZRX-FQEVSTJZSA-N 1 2 391.519 3.784 50 0 GHAALO O=C(NCC1CCCCC1)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095522208 208221371 /nfs/dbraw/zinc/22/13/71/208221371.db2.gz IMYOSFDLNBPCCR-FQEVSTJZSA-N 1 2 381.524 3.796 50 0 GHAALO Cc1nnc(-c2cccc(NC(=O)C3CC[NH+](Cc4cscn4)CC3)c2)s1 ZINC000095526369 208227780 /nfs/dbraw/zinc/22/77/80/208227780.db2.gz FZWWKKFINDTYQM-UHFFFAOYSA-N 1 2 399.545 3.821 50 0 GHAALO O=C(Nc1ccc(OCc2ccco2)cc1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000096150808 208275537 /nfs/dbraw/zinc/27/55/37/208275537.db2.gz TVJBZWNPAMWZRH-KRWDZBQOSA-N 1 2 380.448 3.999 50 0 GHAALO O=C(NC1CCCCCCC1)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000096686936 208321459 /nfs/dbraw/zinc/32/14/59/208321459.db2.gz KDIFKBBAJZZKPH-UHFFFAOYSA-N 1 2 387.505 3.725 50 0 GHAALO C[C@@H](NC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000096781157 208324217 /nfs/dbraw/zinc/32/42/17/208324217.db2.gz XSJIWDABDFHBHM-NVAPOSRTSA-N 1 2 397.950 3.848 50 0 GHAALO C[NH+](C)c1ccc(N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000101163547 208386635 /nfs/dbraw/zinc/38/66/35/208386635.db2.gz QFEHDPVTTNNKLO-INIZCTEOSA-N 1 2 377.366 3.515 50 0 GHAALO C[N@H+](CCC(=O)Nc1cc(F)ccc1F)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000244633165 209021575 /nfs/dbraw/zinc/02/15/75/209021575.db2.gz FXXMOTHLNGUDEB-UHFFFAOYSA-N 1 2 378.810 3.955 50 0 GHAALO C[N@@H+](CCC(=O)Nc1cc(F)ccc1F)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000244633165 209021577 /nfs/dbraw/zinc/02/15/77/209021577.db2.gz FXXMOTHLNGUDEB-UHFFFAOYSA-N 1 2 378.810 3.955 50 0 GHAALO O=C(c1cccc(-c2ccc[nH]c2=O)c1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000299789393 209089574 /nfs/dbraw/zinc/08/95/74/209089574.db2.gz ZHRUWRYKGXNIQA-IBGZPJMESA-N 1 2 376.460 3.736 50 0 GHAALO C[C@@H](NS(=O)(=O)C1=Cc2ccccc2CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007986002 221019391 /nfs/dbraw/zinc/01/93/91/221019391.db2.gz JGFVLHMLDUQLLS-MRXNPFEDSA-N 1 2 379.485 3.840 50 0 GHAALO O=C1CC2(CN1Cc1ccc(F)c(F)c1)CCN(c1cc[nH+]cc1F)CC2 ZINC000091586809 136176636 /nfs/dbraw/zinc/17/66/36/136176636.db2.gz VUMFSVXDSNRZAW-UHFFFAOYSA-N 1 2 375.394 3.518 50 0 GHAALO Cc1cccc(Cc2c(C)[nH+]c(C(C)C)nc2N2CCN(C(=O)C3CC3)CC2)c1 ZINC000096317259 136186485 /nfs/dbraw/zinc/18/64/85/136186485.db2.gz VFZXGXGFERNIEB-UHFFFAOYSA-N 1 2 392.547 3.866 50 0 GHAALO COc1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)cc1Br ZINC000006661005 136196780 /nfs/dbraw/zinc/19/67/80/136196780.db2.gz UWWQKJBIJDTSRR-UHFFFAOYSA-N 1 2 391.309 3.789 50 0 GHAALO Cc1cc(N2CCN(C(=O)/C=C/c3ccc([C@@H]4C[C@@H]4C)o3)CC2)nc(C(C)C)[nH+]1 ZINC000014141500 136201572 /nfs/dbraw/zinc/20/15/72/136201572.db2.gz HGIUHXVGGXTPDX-NRUXISPGSA-N 1 2 394.519 3.987 50 0 GHAALO CCOc1ccccc1C[N@@H+]1CCOc2ccc([C@@H](O)c3ccncc3)cc2C1 ZINC000299759759 209084505 /nfs/dbraw/zinc/08/45/05/209084505.db2.gz OWQLQBRPVJYJMI-DEOSSOPVSA-N 1 2 390.483 3.957 50 0 GHAALO CCOc1ccccc1C[N@H+]1CCOc2ccc([C@@H](O)c3ccncc3)cc2C1 ZINC000299759759 209084509 /nfs/dbraw/zinc/08/45/09/209084509.db2.gz OWQLQBRPVJYJMI-DEOSSOPVSA-N 1 2 390.483 3.957 50 0 GHAALO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)[C@@H]1C ZINC000047797238 570215428 /nfs/dbraw/zinc/21/54/28/570215428.db2.gz BUSAWCAGVPGSTE-SXGZJXTBSA-N 1 2 392.490 3.800 50 0 GHAALO O=C(NCc1ccc(OC(F)F)cc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000048302831 570235106 /nfs/dbraw/zinc/23/51/06/570235106.db2.gz JNIVXXIBJPGTBC-SFHVURJKSA-N 1 2 392.471 3.694 50 0 GHAALO O=C(C[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000048363231 570244704 /nfs/dbraw/zinc/24/47/04/570244704.db2.gz IILAAXRZZTYOEZ-HUUCEWRRSA-N 1 2 387.307 3.592 50 0 GHAALO O=C(CCc1ccccc1)NC1CC[NH+](CC(=O)c2c[nH]c3ccccc23)CC1 ZINC000048366997 570246803 /nfs/dbraw/zinc/24/68/03/570246803.db2.gz ASVKQGNPTYFROC-UHFFFAOYSA-N 1 2 389.499 3.564 50 0 GHAALO COc1ccc(C[N@@H+]2CCN(Cc3cc4ccccc4o3)C[C@H]2CCO)cc1C ZINC000104327007 570257434 /nfs/dbraw/zinc/25/74/34/570257434.db2.gz OXSAXGFIKJIDAD-OAQYLSRUSA-N 1 2 394.515 3.819 50 0 GHAALO COc1ccc(C[N@H+]2CCN(Cc3cc4ccccc4o3)C[C@H]2CCO)cc1C ZINC000104327007 570257438 /nfs/dbraw/zinc/25/74/38/570257438.db2.gz OXSAXGFIKJIDAD-OAQYLSRUSA-N 1 2 394.515 3.819 50 0 GHAALO COc1cccc(C[N@@H+]2CCN(Cc3cc4ccccc4o3)C[C@H]2CCO)c1 ZINC000104526097 570260016 /nfs/dbraw/zinc/26/00/16/570260016.db2.gz RXXRCNLSKXFCLM-HXUWFJFHSA-N 1 2 380.488 3.510 50 0 GHAALO COc1cccc(C[N@H+]2CCN(Cc3cc4ccccc4o3)C[C@H]2CCO)c1 ZINC000104526097 570260019 /nfs/dbraw/zinc/26/00/19/570260019.db2.gz RXXRCNLSKXFCLM-HXUWFJFHSA-N 1 2 380.488 3.510 50 0 GHAALO Fc1ccc(-c2nnn(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)n2)cc1 ZINC000012936403 570312039 /nfs/dbraw/zinc/31/20/39/570312039.db2.gz FCVJQWDIRYHGEP-HNNXBMFYSA-N 1 2 394.479 3.926 50 0 GHAALO Fc1ccc(-c2nnn(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)n2)cc1 ZINC000012936403 570312043 /nfs/dbraw/zinc/31/20/43/570312043.db2.gz FCVJQWDIRYHGEP-HNNXBMFYSA-N 1 2 394.479 3.926 50 0 GHAALO CC1=C[C@@](O)(C(F)(F)Cl)N(c2nc(-c3ccco3)cc(C(F)(F)F)n2)[NH2+]1 ZINC000006263560 570352721 /nfs/dbraw/zinc/35/27/21/570352721.db2.gz MOTACOZPWBJPCT-GFCCVEGCSA-N 1 2 396.703 3.862 50 0 GHAALO COc1c(F)c(F)cc(C(=O)N2CC[C@@H](n3c(C)[nH+]c4ccccc43)C2)c1F ZINC000575618175 570362958 /nfs/dbraw/zinc/36/29/58/570362958.db2.gz SZDMCOUTWGBTNJ-GFCCVEGCSA-N 1 2 389.377 3.858 50 0 GHAALO COC(=O)c1ccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1 ZINC000004937128 570375931 /nfs/dbraw/zinc/37/59/31/570375931.db2.gz UVAMTJLXRMVTBI-UHFFFAOYSA-N 1 2 392.459 3.588 50 0 GHAALO CC(=O)c1sc(=Nc2ccc(C)cc2C)n(CCC[NH+]2CCOCC2)c1C ZINC000004940144 570376382 /nfs/dbraw/zinc/37/63/82/570376382.db2.gz ZYJLYVNCGRXOIC-DQRAZIAOSA-N 1 2 387.549 3.632 50 0 GHAALO C[NH+](C)[C@@H](C(=O)NCCCc1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1 ZINC000219987095 570379759 /nfs/dbraw/zinc/37/97/59/570379759.db2.gz PJGQFOSPVJFWDF-LJQANCHMSA-N 1 2 388.874 3.707 50 0 GHAALO COc1ccccc1CCNC(=O)c1ccc(Cn2c(C)[nH+]c3ccccc32)o1 ZINC000035597048 570399641 /nfs/dbraw/zinc/39/96/41/570399641.db2.gz OXSCACGDEXLBIW-UHFFFAOYSA-N 1 2 389.455 3.967 50 0 GHAALO Cc1ccc([C@@H](CNC(=O)COc2ccc(C(C)C)cc2)[NH+]2CCOCC2)cc1 ZINC000027581422 570436628 /nfs/dbraw/zinc/43/66/28/570436628.db2.gz FTKWVVNLWNNBHS-HSZRJFAPSA-N 1 2 396.531 3.687 50 0 GHAALO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)c(OC)c3)[C@H](C)C(=O)[C@@H]2C)cc1OC ZINC000055448151 570541483 /nfs/dbraw/zinc/54/14/83/570541483.db2.gz VOOAAKGQPAZLIF-DQEHQXCCSA-N 1 2 399.487 3.948 50 0 GHAALO O=S(=O)(c1cc(Cl)ccc1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000034878952 570546212 /nfs/dbraw/zinc/54/62/12/570546212.db2.gz WMMZYEPDPXDBBV-UHFFFAOYSA-N 1 2 399.343 3.542 50 0 GHAALO COc1ccc(C(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022906876 570563584 /nfs/dbraw/zinc/56/35/84/570563584.db2.gz GETDLLLYFXUAPL-NRFANRHFSA-N 1 2 376.456 3.818 50 0 GHAALO COc1ccc(C(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022906876 570563586 /nfs/dbraw/zinc/56/35/86/570563586.db2.gz GETDLLLYFXUAPL-NRFANRHFSA-N 1 2 376.456 3.818 50 0 GHAALO COc1cc(C)c(CN2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)cc1C ZINC000039542154 570593330 /nfs/dbraw/zinc/59/33/30/570593330.db2.gz CXRANQXOAXZKCN-JOCHJYFZSA-N 1 2 386.511 3.520 50 0 GHAALO COc1cc(C)c(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)cc1C ZINC000039542154 570593332 /nfs/dbraw/zinc/59/33/32/570593332.db2.gz CXRANQXOAXZKCN-JOCHJYFZSA-N 1 2 386.511 3.520 50 0 GHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000005477820 570607792 /nfs/dbraw/zinc/60/77/92/570607792.db2.gz PJSGSHUOUOHCQW-UHFFFAOYSA-N 1 2 393.447 3.994 50 0 GHAALO Cc1ccc(N[C@@H]2CCCN(C(=O)CC3=CSC4=[NH+]CCCN34)C2)cc1C ZINC000012198339 570624036 /nfs/dbraw/zinc/62/40/36/570624036.db2.gz FVBKLPFRPJNZPM-GOSISDBHSA-N 1 2 384.549 3.746 50 0 GHAALO COc1ccc(C[N@H+](C)Cc2nnc(SCCOc3ccccc3)n2C)cc1 ZINC000012330091 570644092 /nfs/dbraw/zinc/64/40/92/570644092.db2.gz GGIFXAXHDBLXLD-UHFFFAOYSA-N 1 2 398.532 3.627 50 0 GHAALO COc1ccc(C[N@@H+](C)Cc2nnc(SCCOc3ccccc3)n2C)cc1 ZINC000012330091 570644095 /nfs/dbraw/zinc/64/40/95/570644095.db2.gz GGIFXAXHDBLXLD-UHFFFAOYSA-N 1 2 398.532 3.627 50 0 GHAALO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)s2)CC1)c1ccccc1 ZINC000022929523 570646852 /nfs/dbraw/zinc/64/68/52/570646852.db2.gz UGKUHBUHVTWWFU-HZPDHXFCSA-N 1 2 391.968 3.785 50 0 GHAALO OCC[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1 ZINC000012571623 570681551 /nfs/dbraw/zinc/68/15/51/570681551.db2.gz GOGBUKSVUWCVSE-UHFFFAOYSA-N 1 2 377.366 3.750 50 0 GHAALO OCC[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1 ZINC000012571623 570681554 /nfs/dbraw/zinc/68/15/54/570681554.db2.gz GOGBUKSVUWCVSE-UHFFFAOYSA-N 1 2 377.366 3.750 50 0 GHAALO CC(C)Nc1ncc(C[N@H+](Cc2cccnc2)Cc2ccc3c(c2)OCO3)cn1 ZINC000055073007 570681633 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CCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000058401309 570731077 /nfs/dbraw/zinc/73/10/77/570731077.db2.gz RTIPPWKQFAURAF-UHFFFAOYSA-N 1 2 376.460 3.574 50 0 GHAALO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1cc(Cl)ccc1F ZINC000012972876 570733429 /nfs/dbraw/zinc/73/34/29/570733429.db2.gz OVLRJCXXVUJBIB-UHFFFAOYSA-N 1 2 395.906 3.532 50 0 GHAALO C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCN(c2ccccc2O)CC1 ZINC000013137521 570748360 /nfs/dbraw/zinc/74/83/60/570748360.db2.gz NXKYWMFULCEQNC-KRWDZBQOSA-N 1 2 375.472 3.695 50 0 GHAALO Cc1cc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)ccc1Br ZINC000052537625 570752913 /nfs/dbraw/zinc/75/29/13/570752913.db2.gz XIFBTGCPELTGOH-UHFFFAOYSA-N 1 2 388.309 3.518 50 0 GHAALO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)Cc1cccnc1)C2 ZINC000065260083 570762217 /nfs/dbraw/zinc/76/22/17/570762217.db2.gz YBYXPDBYHGKOII-QHCPKHFHSA-N 1 2 391.519 3.529 50 0 GHAALO CC(C)(C)N=C1Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)c1cccs1)C2 ZINC000065265947 570769075 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Cc1cc(Br)ccc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007641392 571010082 /nfs/dbraw/zinc/01/00/82/571010082.db2.gz MSCWSFRLYCQISK-UHFFFAOYSA-N 1 2 391.265 3.557 50 0 GHAALO Cc1noc2nc(C)cc(C(=O)Nc3nc(C[N@H+]4CCC[C@@H](C)C4)cs3)c12 ZINC000012777824 571031435 /nfs/dbraw/zinc/03/14/35/571031435.db2.gz GJNRZNVVELHVME-LLVKDONJSA-N 1 2 385.493 3.780 50 0 GHAALO Cc1noc2nc(C)cc(C(=O)Nc3nc(C[N@@H+]4CCC[C@@H](C)C4)cs3)c12 ZINC000012777824 571031440 /nfs/dbraw/zinc/03/14/40/571031440.db2.gz GJNRZNVVELHVME-LLVKDONJSA-N 1 2 385.493 3.780 50 0 GHAALO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023296642 571049302 /nfs/dbraw/zinc/04/93/02/571049302.db2.gz XFJSWEFRHRUXFA-DNVCBOLYSA-N 1 2 396.516 3.566 50 0 GHAALO O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1-c1ccccc1 ZINC000057363963 862062306 /nfs/dbraw/zinc/06/23/06/862062306.db2.gz RANQBVYBMIUFFK-UHFFFAOYSA-N 1 2 387.483 3.820 50 0 GHAALO O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000008232072 856074741 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C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000007855678 878497708 /nfs/dbraw/zinc/49/77/08/878497708.db2.gz LSBOGSOCZLWGJL-MAUKXSAKSA-N 1 2 382.533 3.991 50 0 GHAALO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000007855678 878497718 /nfs/dbraw/zinc/49/77/18/878497718.db2.gz LSBOGSOCZLWGJL-MAUKXSAKSA-N 1 2 382.533 3.991 50 0 GHAALO Cc1ccc2cc(C[N@@H+]3CCn4cccc4[C@@H]3C)c(N3CCOCC3)nc2c1 ZINC000952982377 904668545 /nfs/dbraw/zinc/66/85/45/904668545.db2.gz GVMWIADMQLYZLB-SFHVURJKSA-N 1 2 376.504 3.758 50 0 GHAALO Cc1ccc2cc(C[N@H+]3CCn4cccc4[C@@H]3C)c(N3CCOCC3)nc2c1 ZINC000952982377 904668550 /nfs/dbraw/zinc/66/85/50/904668550.db2.gz GVMWIADMQLYZLB-SFHVURJKSA-N 1 2 376.504 3.758 50 0 GHAALO CCc1cnc(C)nc1-c1cccc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000426412811 529637822 /nfs/dbraw/zinc/63/78/22/529637822.db2.gz UOZXELMNEZNSLY-HXUWFJFHSA-N 1 2 375.476 3.629 50 0 GHAALO CCn1cc[nH+]c1CN1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000011934065 206226021 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0 GHAALO COc1ccc(OC)c(Nc2ncc3c(n2)CC[N@@H+](Cc2ccccc2F)C3)c1 ZINC000015779071 207061520 /nfs/dbraw/zinc/06/15/20/207061520.db2.gz VDUJLBOAWZFHHK-UHFFFAOYSA-N 1 2 394.450 3.935 50 0 GHAALO COc1ccc(OC)c(Nc2ncc3c(n2)CC[N@H+](Cc2ccccc2F)C3)c1 ZINC000015779071 207061526 /nfs/dbraw/zinc/06/15/26/207061526.db2.gz VDUJLBOAWZFHHK-UHFFFAOYSA-N 1 2 394.450 3.935 50 0 GHAALO C[C@@H](NC(=O)C[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000017283594 207088494 /nfs/dbraw/zinc/08/84/94/207088494.db2.gz REHPJPKDYLKDSC-GOSISDBHSA-N 1 2 395.522 3.704 50 0 GHAALO COc1ccc(Br)cc1CN1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019361858 207118861 /nfs/dbraw/zinc/11/88/61/207118861.db2.gz KBSKPGGABMWQOV-UHFFFAOYSA-N 1 2 393.300 3.915 50 0 GHAALO O=C(c1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019865776 207167630 /nfs/dbraw/zinc/16/76/30/207167630.db2.gz FKTRGUCWGHCNEW-UHFFFAOYSA-N 1 2 393.270 3.680 50 0 GHAALO O=C(COc1ccc2ccccc2c1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019789293 207160565 /nfs/dbraw/zinc/16/05/65/207160565.db2.gz AGMHMHQXDAGPKW-UHFFFAOYSA-N 1 2 378.447 3.702 50 0 GHAALO CCc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1ccccn1 ZINC000020107853 207176949 /nfs/dbraw/zinc/17/69/49/207176949.db2.gz YUVJOUUFJGWUGR-UHFFFAOYSA-N 1 2 398.576 3.565 50 0 GHAALO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2ccco2)cc1C ZINC000020107754 207177366 /nfs/dbraw/zinc/17/73/66/207177366.db2.gz ZMDSSILKXYFOIP-UHFFFAOYSA-N 1 2 387.549 3.818 50 0 GHAALO O=C(CSc1nc2ccccc2s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019913513 207169609 /nfs/dbraw/zinc/16/96/09/207169609.db2.gz PPGYABGPHBJYOB-UHFFFAOYSA-N 1 2 383.542 3.733 50 0 GHAALO O=C(NCC[NH+]1CCOCC1)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000020166572 207182607 /nfs/dbraw/zinc/18/26/07/207182607.db2.gz ZGRWQZSIYJOIEK-UHFFFAOYSA-N 1 2 395.890 3.617 50 0 GHAALO OCC[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CCN1Cc1cccs1 ZINC000020351473 207188796 /nfs/dbraw/zinc/18/87/96/207188796.db2.gz QJAILLQEGIFLNU-GOSISDBHSA-N 1 2 399.585 3.940 50 0 GHAALO OCC[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CCN1Cc1cccs1 ZINC000020351473 207188800 /nfs/dbraw/zinc/18/88/00/207188800.db2.gz QJAILLQEGIFLNU-GOSISDBHSA-N 1 2 399.585 3.940 50 0 GHAALO Cc1ccccc1C(=O)c1c[nH]c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020405812 207191080 /nfs/dbraw/zinc/19/10/80/207191080.db2.gz JHUXOACAADRCCL-UHFFFAOYSA-N 1 2 387.483 3.512 50 0 GHAALO O=C(c1ccc(Br)s1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020472595 207196543 /nfs/dbraw/zinc/19/65/43/207196543.db2.gz YUXOQMOFSAGSCF-QPJJXVBHSA-N 1 2 391.334 3.982 50 0 GHAALO COc1ccccc1C(=O)NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000020902048 207218904 /nfs/dbraw/zinc/21/89/04/207218904.db2.gz NTEJXWPJQILBEK-QFIPXVFZSA-N 1 2 387.483 3.620 50 0 GHAALO COc1ccccc1C(=O)NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000020902048 207218907 /nfs/dbraw/zinc/21/89/07/207218907.db2.gz NTEJXWPJQILBEK-QFIPXVFZSA-N 1 2 387.483 3.620 50 0 GHAALO O=c1cc(-c2ccccc2)c2ccc(OC[C@@H](O)CNc3cccc[nH+]3)cc2o1 ZINC000020735670 207212077 /nfs/dbraw/zinc/21/20/77/207212077.db2.gz ANLZPYNLRRMWJL-KRWDZBQOSA-N 1 2 388.423 3.707 50 0 biogenic GHAALO COC(=O)c1c(-c2ccc(Cl)cc2)noc1N1CCN(c2cccc[nH+]2)CC1 ZINC000021103706 207225519 /nfs/dbraw/zinc/22/55/19/207225519.db2.gz JKFPVVOZMCDZOQ-UHFFFAOYSA-N 1 2 398.850 3.503 50 0 GHAALO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCc4ccccc4)CC3)no2)cc1 ZINC000021724269 207236852 /nfs/dbraw/zinc/23/68/52/207236852.db2.gz OVPKZHICOVLJTQ-UHFFFAOYSA-N 1 2 390.487 3.573 50 0 GHAALO CCN(Cc1[nH+]ccn1C)C(=O)c1cc(-c2cnn(CC)c2)nc2ccccc21 ZINC000023339599 207275268 /nfs/dbraw/zinc/27/52/68/207275268.db2.gz UXXKUTSXJYZVEB-UHFFFAOYSA-N 1 2 388.475 3.514 50 0 GHAALO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)Cc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000023038265 207266981 /nfs/dbraw/zinc/26/69/81/207266981.db2.gz HADGPFSMLXTTRS-UHFFFAOYSA-N 1 2 389.839 3.699 50 0 GHAALO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)Cc3ccc(Cl)cc3)[nH]c(=O)c21 ZINC000023038265 207266986 /nfs/dbraw/zinc/26/69/86/207266986.db2.gz HADGPFSMLXTTRS-UHFFFAOYSA-N 1 2 389.839 3.699 50 0 GHAALO C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000023761887 207282253 /nfs/dbraw/zinc/28/22/53/207282253.db2.gz QGJXJXQCLPMZSU-HNAYVOBHSA-N 1 2 392.421 3.897 50 0 GHAALO O=C(CCc1cc2ccccc2o1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023596837 207279829 /nfs/dbraw/zinc/27/98/29/207279829.db2.gz PORYZQLUXWTBDY-SFHVURJKSA-N 1 2 384.501 3.617 50 0 GHAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000024208148 207288844 /nfs/dbraw/zinc/28/88/44/207288844.db2.gz YOFSICWRWXLXTL-LJQANCHMSA-N 1 2 392.421 3.817 50 0 GHAALO CC[N@H+](Cc1nc(-c2ccccc2OC)no1)Cc1ccc(OC)c(OC)c1 ZINC000025357753 207303029 /nfs/dbraw/zinc/30/30/29/207303029.db2.gz ZZBUWWBRXWERBP-UHFFFAOYSA-N 1 2 383.448 3.785 50 0 GHAALO CC[N@@H+](Cc1nc(-c2ccccc2OC)no1)Cc1ccc(OC)c(OC)c1 ZINC000025357753 207303034 /nfs/dbraw/zinc/30/30/34/207303034.db2.gz ZZBUWWBRXWERBP-UHFFFAOYSA-N 1 2 383.448 3.785 50 0 GHAALO C[C@H](NC(=O)NCCc1cn2ccccc2[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000026288289 207311682 /nfs/dbraw/zinc/31/16/82/207311682.db2.gz ABGZVGUMCBXCTK-ZDUSSCGKSA-N 1 2 376.382 3.956 50 0 GHAALO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C[C@@H](C)O1 ZINC000026361634 207313479 /nfs/dbraw/zinc/31/34/79/207313479.db2.gz RFSRHNFXFWVGHZ-HZPDHXFCSA-N 1 2 392.499 3.516 50 0 GHAALO O=C(/C=C/c1ccccc1OC(F)F)NCc1ccccc1Cn1cc[nH+]c1 ZINC000040033962 207336013 /nfs/dbraw/zinc/33/60/13/207336013.db2.gz AHMWDVULTMCVIN-MDZDMXLPSA-N 1 2 383.398 3.862 50 0 GHAALO CCOc1ccccc1NC(=O)N1CCN(c2[nH+]c3ccccc3n2CC)CC1 ZINC000033106439 207438398 /nfs/dbraw/zinc/43/83/98/207438398.db2.gz ZENNRXJOASHGOP-UHFFFAOYSA-N 1 2 393.491 3.809 50 0 GHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2ccc(OC)c(F)c2)c1C ZINC000058170510 207766971 /nfs/dbraw/zinc/76/69/71/207766971.db2.gz BWBHKDCHFJOPKF-AWEZNQCLSA-N 1 2 390.455 3.659 50 0 GHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(OC)c(F)c2)c1C ZINC000058170510 207766976 /nfs/dbraw/zinc/76/69/76/207766976.db2.gz BWBHKDCHFJOPKF-AWEZNQCLSA-N 1 2 390.455 3.659 50 0 GHAALO COc1cccc([C@@H]2c3[nH]cnc3CC[N@H+]2Cc2ccc(NC(C)=O)cc2)c1 ZINC000067589102 207893818 /nfs/dbraw/zinc/89/38/18/207893818.db2.gz VANRNEBJULQJNM-JOCHJYFZSA-N 1 2 376.460 3.524 50 0 GHAALO COc1cccc([C@@H]2c3[nH]cnc3CC[N@@H+]2Cc2ccc(NC(C)=O)cc2)c1 ZINC000067589102 207893822 /nfs/dbraw/zinc/89/38/22/207893822.db2.gz VANRNEBJULQJNM-JOCHJYFZSA-N 1 2 376.460 3.524 50 0 GHAALO Cc1[nH+]c[nH]c1CSCCNc1cc(-c2ccccc2F)nc2ccnn21 ZINC000072479927 208032349 /nfs/dbraw/zinc/03/23/49/208032349.db2.gz JPDDMHYERIOKOV-UHFFFAOYSA-N 1 2 382.468 3.912 50 0 GHAALO O=C(Cc1ccccc1O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082099436 208080758 /nfs/dbraw/zinc/08/07/58/208080758.db2.gz AVOCFRLKEAGXNO-HXUWFJFHSA-N 1 2 375.472 3.586 50 0 GHAALO CCCc1n[nH]cc1C(=O)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000082115581 208081173 /nfs/dbraw/zinc/08/11/73/208081173.db2.gz UDDWHISEDRFTBO-UHFFFAOYSA-N 1 2 377.492 3.627 50 0 GHAALO CN(C(=O)C[NH+](CC(=O)N(C)c1ccccc1)C1CCCC1)c1ccccc1 ZINC000083869552 208085236 /nfs/dbraw/zinc/08/52/36/208085236.db2.gz QIKQTYZWXXJLKY-UHFFFAOYSA-N 1 2 379.504 3.557 50 0 GHAALO O=C(CCc1cccc(F)c1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091551658 208122281 /nfs/dbraw/zinc/12/22/81/208122281.db2.gz ZOQGEQJUFFNNGY-HXUWFJFHSA-N 1 2 392.478 3.804 50 0 GHAALO CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)Cn1cc[nH+]c1-c1ccccc1 ZINC000091678261 208133409 /nfs/dbraw/zinc/13/34/09/208133409.db2.gz KXBAQQNDCNKAQZ-UHFFFAOYSA-N 1 2 379.851 3.738 50 0 GHAALO CCc1ccc2[nH+]c(N3CC[C@]4(C3)CCCN(CCOC)C4=O)cc(C)c2c1 ZINC000095388693 208174853 /nfs/dbraw/zinc/17/48/53/208174853.db2.gz LSHMZOGBMSZBOO-QHCPKHFHSA-N 1 2 381.520 3.571 50 0 GHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CCC(=O)N2CCCCCC2)C1 ZINC000095510547 208209176 /nfs/dbraw/zinc/20/91/76/208209176.db2.gz XGLAHTGWJNFECW-IBGZPJMESA-N 1 2 388.556 3.572 50 0 GHAALO CCO[C@H](C)c1noc(C[N@H+]2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)n1 ZINC000095399071 208179706 /nfs/dbraw/zinc/17/97/06/208179706.db2.gz KCBFZVLVASPCOE-CQSZACIVSA-N 1 2 382.464 3.946 50 0 GHAALO CCO[C@H](C)c1noc(C[N@@H+]2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)n1 ZINC000095399071 208179712 /nfs/dbraw/zinc/17/97/12/208179712.db2.gz KCBFZVLVASPCOE-CQSZACIVSA-N 1 2 382.464 3.946 50 0 GHAALO Cc1ccc(CCC(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)cc1 ZINC000095499482 208200311 /nfs/dbraw/zinc/20/03/11/208200311.db2.gz TZRHLSKTBOGXRF-UHFFFAOYSA-N 1 2 388.515 3.974 50 0 GHAALO O=C(NCc1ccccc1)c1cc(NCc2cc[nH+]c(N3CCCC3)c2)ccn1 ZINC000095958631 208244230 /nfs/dbraw/zinc/24/42/30/208244230.db2.gz SOLZUZSNCYJVLB-UHFFFAOYSA-N 1 2 387.487 3.619 50 0 GHAALO COc1cccc(SCC(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000095517527 208218369 /nfs/dbraw/zinc/21/83/69/208218369.db2.gz UVHKBSDYMNFVNV-QGZVFWFLSA-N 1 2 385.533 3.800 50 0 GHAALO O=C(NCCCCCc1[nH]c2ccccc2[nH+]1)c1cnc2c(F)cccc2c1O ZINC000096118530 208263386 /nfs/dbraw/zinc/26/33/86/208263386.db2.gz GRYKPRGBDJAMKY-UHFFFAOYSA-N 1 2 392.434 3.686 50 0 GHAALO CC(C)Cc1[nH]c2ccc(NC(=O)CCCc3nnc4ccccn43)cc2[nH+]1 ZINC000096117007 208263481 /nfs/dbraw/zinc/26/34/81/208263481.db2.gz NJNVAXVGJPGAGL-UHFFFAOYSA-N 1 2 376.464 3.766 50 0 GHAALO O=C(NCCCCCc1[nH]c2ccccc2[nH+]1)c1ccc2c(c1)OCCCO2 ZINC000096118854 208266678 /nfs/dbraw/zinc/26/66/78/208266678.db2.gz GMPNZPVBMHFEME-UHFFFAOYSA-N 1 2 379.460 3.867 50 0 GHAALO Cn1c2ccccc2[nH+]c1CCCCCNC(=O)c1n[nH]c2c1CCCCC2 ZINC000096232463 208290334 /nfs/dbraw/zinc/29/03/34/208290334.db2.gz REFVGXKAAVIUMO-UHFFFAOYSA-N 1 2 379.508 3.708 50 0 GHAALO O=C(/C=C\c1ccc(OC(F)F)cc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000096931075 208328944 /nfs/dbraw/zinc/32/89/44/208328944.db2.gz MVAIVVDHLIVNJQ-YFHOEESVSA-N 1 2 383.398 3.862 50 0 GHAALO O=C(/C=C\c1cccc(Cl)c1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000096943583 208330755 /nfs/dbraw/zinc/33/07/55/208330755.db2.gz OMJBFSNTZUCWPG-TUYSUELWSA-N 1 2 376.909 3.604 50 0 GHAALO C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096923300 208327280 /nfs/dbraw/zinc/32/72/80/208327280.db2.gz DEWSNZJEPXQEKX-KWEPMOPPSA-N 1 2 397.950 3.676 50 0 GHAALO C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000096923300 208327286 /nfs/dbraw/zinc/32/72/86/208327286.db2.gz DEWSNZJEPXQEKX-KWEPMOPPSA-N 1 2 397.950 3.676 50 0 GHAALO CCc1[nH]c2ccc(NC(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)cc2[nH+]1 ZINC000097775615 208361517 /nfs/dbraw/zinc/36/15/17/208361517.db2.gz FBIPGPOLBUFQKS-AWEZNQCLSA-N 1 2 377.448 3.647 50 0 GHAALO CC[C@H](CNC(=O)Nc1ccccc1Oc1ccccc1F)[NH+]1CCOCC1 ZINC000097713539 208361644 /nfs/dbraw/zinc/36/16/44/208361644.db2.gz LKCFCUZQCBCRCN-MRXNPFEDSA-N 1 2 387.455 3.850 50 0 GHAALO COc1cccc(-c2nsc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)n2)c1 ZINC000253417036 209038695 /nfs/dbraw/zinc/03/86/95/209038695.db2.gz MPZAQRUFLTVFOX-UHFFFAOYSA-N 1 2 391.456 3.711 50 0 GHAALO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)o1 ZINC000016433771 221363127 /nfs/dbraw/zinc/36/31/27/221363127.db2.gz QDKPCAIIKIDNMD-VYDXJSESSA-N 1 2 381.476 3.599 50 0 GHAALO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)o1 ZINC000016433771 221363131 /nfs/dbraw/zinc/36/31/31/221363131.db2.gz QDKPCAIIKIDNMD-VYDXJSESSA-N 1 2 381.476 3.599 50 0 GHAALO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000056945666 132448139 /nfs/dbraw/zinc/44/81/39/132448139.db2.gz OCSSRWPEKGTXQE-OAQYLSRUSA-N 1 2 393.462 3.712 50 0 GHAALO CCC(=O)N1CCN(c2nc(C3CC3)[nH+]c(CC)c2Cc2cccc(C)c2)CC1 ZINC000096316825 136186306 /nfs/dbraw/zinc/18/63/06/136186306.db2.gz CPPCVIFZYOJDQB-UHFFFAOYSA-N 1 2 392.547 3.874 50 0 GHAALO COc1cccc(N2CCC[C@@H](NC(=O)c3cc(C)ccc3-n3cc[nH+]c3)C2)c1 ZINC000170629819 136199162 /nfs/dbraw/zinc/19/91/62/136199162.db2.gz HJGNJYGTQWWQHI-GOSISDBHSA-N 1 2 390.487 3.588 50 0 GHAALO O=C(c1cc(Cl)ccc1F)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000170654113 136199281 /nfs/dbraw/zinc/19/92/81/136199281.db2.gz PERNJXSCNRJUBT-UHFFFAOYSA-N 1 2 387.764 3.855 50 0 GHAALO COc1cc(OC)c(C[NH+]2CCN(c3ccccc3)CC2)cc1Br ZINC000000752378 522792885 /nfs/dbraw/zinc/79/28/85/522792885.db2.gz IJDJZAVNCVHNRQ-UHFFFAOYSA-N 1 2 391.309 3.789 50 0 GHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)Nc3cc(C)ccc3OC)C2)nc[nH+]1 ZINC000065244981 535521316 /nfs/dbraw/zinc/52/13/16/535521316.db2.gz OSRPXYQEMIDSAO-KRWDZBQOSA-N 1 2 397.523 3.861 50 0 GHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)Nc3cc(C)ccc3OC)C2)[nH+]cn1 ZINC000065244981 535521323 /nfs/dbraw/zinc/52/13/23/535521323.db2.gz OSRPXYQEMIDSAO-KRWDZBQOSA-N 1 2 397.523 3.861 50 0 GHAALO CCc1c(C)nc(C)nc1N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095501879 536070570 /nfs/dbraw/zinc/07/05/70/536070570.db2.gz XOYAHEWMAHSOMO-MRXNPFEDSA-N 1 2 382.537 3.741 50 0 GHAALO COc1ccc(Cl)cc1N1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2)CC1 ZINC000096280587 536566937 /nfs/dbraw/zinc/56/69/37/536566937.db2.gz WHOYIVZURNUOLG-CQSZACIVSA-N 1 2 391.874 3.637 50 0 GHAALO Cc1c(C(=O)N2CC[NH+](CCc3ccccc3)CC2)oc2c1C(=O)CC(C)(C)C2 ZINC000048341779 570239485 /nfs/dbraw/zinc/23/94/85/570239485.db2.gz AMYFNQMAHFMCGK-UHFFFAOYSA-N 1 2 394.515 3.744 50 0 GHAALO Cc1ccc(NC(=O)C[NH+]2CCC(c3nnc(C(C)C)o3)CC2)cc1Cl ZINC000049377270 570263329 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CCn1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)c2ccccc21 ZINC000032902342 570898528 /nfs/dbraw/zinc/89/85/28/570898528.db2.gz OHOZRXULYQTDRN-IBGZPJMESA-N 1 2 383.517 3.526 50 0 GHAALO O=C(Cc1ccc(F)cc1)NC[C@H](c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000023106416 570905154 /nfs/dbraw/zinc/90/51/54/570905154.db2.gz WHGPEQPNPHPTJB-HSZRJFAPSA-N 1 2 392.474 3.711 50 0 GHAALO Brc1cc2c(cc1C[NH+]1CCN(c3ccccc3)CC1)OCCO2 ZINC000007589054 570949536 /nfs/dbraw/zinc/94/95/36/570949536.db2.gz UVXVHFLSSUXMDJ-UHFFFAOYSA-N 1 2 389.293 3.543 50 0 GHAALO COc1ccc(OC)c(NC(=O)C[N@@H+](C)Cc2cc(Br)cs2)c1 ZINC000052847697 570950618 /nfs/dbraw/zinc/95/06/18/570950618.db2.gz MEACMYDHDBSQSG-UHFFFAOYSA-N 1 2 399.310 3.598 50 0 GHAALO COc1ccc(OC)c(NC(=O)C[N@H+](C)Cc2cc(Br)cs2)c1 ZINC000052847697 570950614 /nfs/dbraw/zinc/95/06/14/570950614.db2.gz MEACMYDHDBSQSG-UHFFFAOYSA-N 1 2 399.310 3.598 50 0 GHAALO Cc1cc(Cl)ccc1OCC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033288659 570956142 /nfs/dbraw/zinc/95/61/42/570956142.db2.gz AXSIQKWGHDGQLM-YVMONPNESA-N 1 2 384.907 3.885 50 0 GHAALO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000107084327 570970956 /nfs/dbraw/zinc/97/09/56/570970956.db2.gz GJIDXFIGYOKGMM-HBUWYVDXSA-N 1 2 384.526 3.666 50 0 GHAALO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000107084327 570970957 /nfs/dbraw/zinc/97/09/57/570970957.db2.gz GJIDXFIGYOKGMM-HBUWYVDXSA-N 1 2 384.526 3.666 50 0 GHAALO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000078825205 836065443 /nfs/dbraw/zinc/06/54/43/836065443.db2.gz SBYJYWIHRYCPIM-CABCVRRESA-N 1 2 383.883 3.589 50 0 GHAALO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000078825205 836065454 /nfs/dbraw/zinc/06/54/54/836065454.db2.gz SBYJYWIHRYCPIM-CABCVRRESA-N 1 2 383.883 3.589 50 0 GHAALO Cc1[nH]c2ccc(NC(=O)C3CCN(C(=O)C=Cc4ccccc4)CC3)cc2[nH+]1 ZINC000050826912 840868178 /nfs/dbraw/zinc/86/81/78/840868178.db2.gz FHVUDUHBTBVLQT-YFHOEESVSA-N 1 2 388.471 3.762 50 0 GHAALO COc1ccc2ccccc2c1CCC(=O)NC[C@H]1CCCN1c1cccc[nH+]1 ZINC000225629995 861221684 /nfs/dbraw/zinc/22/16/84/861221684.db2.gz MJDMHHCXWSMKKZ-LJQANCHMSA-N 1 2 389.499 3.961 50 0 GHAALO Cc1nc(N2CCC(NC(=O)c3ccccc3Cl)CC2)c2c([nH+]1)CCCC2 ZINC000225739368 861267216 /nfs/dbraw/zinc/26/72/16/861267216.db2.gz CDJZZFKOBDGEFL-UHFFFAOYSA-N 1 2 384.911 3.716 50 0 GHAALO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000098053650 849688266 /nfs/dbraw/zinc/68/82/66/849688266.db2.gz KFDSRYMGECQPKP-RCPLKNEXSA-N 1 2 389.543 3.684 50 0 GHAALO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccccc1C(=O)c1ccccc1 ZINC000030318547 862248033 /nfs/dbraw/zinc/24/80/33/862248033.db2.gz HDDHMUMRWBREMH-UHFFFAOYSA-N 1 2 384.479 3.706 50 0 GHAALO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccccc1C(=O)c1ccccc1 ZINC000030318547 862248048 /nfs/dbraw/zinc/24/80/48/862248048.db2.gz HDDHMUMRWBREMH-UHFFFAOYSA-N 1 2 384.479 3.706 50 0 GHAALO COc1ccccc1CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000003524254 862468521 /nfs/dbraw/zinc/46/85/21/862468521.db2.gz JCAFGTZJSLJCBG-UHFFFAOYSA-N 1 2 393.512 3.891 50 0 GHAALO COc1ccccc1CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000003524254 862468527 /nfs/dbraw/zinc/46/85/27/862468527.db2.gz JCAFGTZJSLJCBG-UHFFFAOYSA-N 1 2 393.512 3.891 50 0 GHAALO C[C@H](NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000055060347 855311486 /nfs/dbraw/zinc/31/14/86/855311486.db2.gz VSEDWKITQRKVEV-INIZCTEOSA-N 1 2 391.437 3.705 50 0 GHAALO CCCc1nc2c(sc(=S)n2-c2ccccc2)c(N2CC[NH+](C)CC2)n1 ZINC000004192010 862853280 /nfs/dbraw/zinc/85/32/80/862853280.db2.gz LLLKMEHFVJSICA-UHFFFAOYSA-N 1 2 385.562 3.916 50 0 GHAALO C[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccc(C(N)=O)cc1 ZINC000009691197 857314717 /nfs/dbraw/zinc/31/47/17/857314717.db2.gz LUCBMKBXEOYDQB-UHFFFAOYSA-N 1 2 399.800 3.528 50 0 GHAALO C[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccc(C(N)=O)cc1 ZINC000009691197 857314727 /nfs/dbraw/zinc/31/47/27/857314727.db2.gz LUCBMKBXEOYDQB-UHFFFAOYSA-N 1 2 399.800 3.528 50 0 GHAALO Cc1nc(C)c(C(=O)NC[C@H]2CCC[N@H+](Cc3c(Cl)cncc3Cl)C2)o1 ZINC000825268537 864360870 /nfs/dbraw/zinc/36/08/70/864360870.db2.gz ODYMUWCDTAMOJM-CYBMUJFWSA-N 1 2 397.306 3.635 50 0 GHAALO Cc1nc(C)c(C(=O)NC[C@H]2CCC[N@@H+](Cc3c(Cl)cncc3Cl)C2)o1 ZINC000825268537 864360880 /nfs/dbraw/zinc/36/08/80/864360880.db2.gz ODYMUWCDTAMOJM-CYBMUJFWSA-N 1 2 397.306 3.635 50 0 GHAALO COc1ccc(C(=O)N2CCC[C@@H](n3c(C)c[nH+]c3-c3ccccc3)C2)cn1 ZINC000581805544 870027190 /nfs/dbraw/zinc/02/71/90/870027190.db2.gz CBNOSHZOVANAET-LJQANCHMSA-N 1 2 376.460 3.739 50 0 GHAALO COc1ccc(C(=O)N2CCC[C@@H](Cn3c(C)c[nH+]c3-c3ccccc3)C2)cn1 ZINC000581807926 870037861 /nfs/dbraw/zinc/03/78/61/870037861.db2.gz SWYHIJXVNBEOPY-GOSISDBHSA-N 1 2 390.487 3.815 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1CCC1CCN(C(=O)C2CCOCC2)CC1 ZINC000581813969 870058484 /nfs/dbraw/zinc/05/84/84/870058484.db2.gz MRIXQBMMZVPXPI-UHFFFAOYSA-N 1 2 381.520 3.914 50 0 GHAALO Cc1ccc([C@@H]2NC(=[NH2+])SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000002219244 883086941 /nfs/dbraw/zinc/08/69/41/883086941.db2.gz OZWAZPXHPPERRJ-HNNXBMFYSA-N 1 2 383.860 3.579 50 0 GHAALO O=C(Nc1ccc(Oc2ccc(Cl)cc2)cn1)[C@@H]1OCC[C@@H]1Cn1cc[nH+]c1 ZINC000621962611 888539704 /nfs/dbraw/zinc/53/97/04/888539704.db2.gz UFRYEMDQZYYERL-AUUYWEPGSA-N 1 2 398.850 3.768 50 0 GHAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@@H+]2CCC[C@H](C(=O)c3ccccn3)C2)no1 ZINC000952974761 904653112 /nfs/dbraw/zinc/65/31/12/904653112.db2.gz VOJDYZIBFFSEIZ-AWEZNQCLSA-N 1 2 399.882 3.527 50 0 GHAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@H+]2CCC[C@H](C(=O)c3ccccn3)C2)no1 ZINC000952974761 904653121 /nfs/dbraw/zinc/65/31/21/904653121.db2.gz VOJDYZIBFFSEIZ-AWEZNQCLSA-N 1 2 399.882 3.527 50 0 GHAALO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000107178583 906339905 /nfs/dbraw/zinc/33/99/05/906339905.db2.gz CKMUDGONOYPRQB-UHFFFAOYSA-N 1 2 392.503 3.519 50 0 GHAALO Cc1ccc([C@@H]([NH2+]Cc2cccc3c2OC(F)(F)O3)[C@@H](C)S(C)(=O)=O)cc1 ZINC000414447691 915349239 /nfs/dbraw/zinc/34/92/39/915349239.db2.gz PVZSQXIVFXHSLA-DYVFJYSZSA-N 1 2 397.443 3.581 50 0 GHAALO Cc1cc(/C=C/C(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)n1Cc1ccco1 ZINC000012750736 927695940 /nfs/dbraw/zinc/69/59/40/927695940.db2.gz FWPVHUKWEGKJMU-CMDGGOBGSA-N 1 2 390.487 3.503 50 0 GHAALO CN1CC[NH+](Cc2cccc(-c3nc(-c4ccccc4Cl)cc(=O)[nH]3)c2)CC1 ZINC000048115627 1030996638 /nfs/dbraw/zinc/99/66/38/1030996638.db2.gz BFPQAAJUAXPGAD-UHFFFAOYSA-N 1 2 394.906 3.505 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@H]4COC)csc3C2)nc1 ZINC000426578863 529643629 /nfs/dbraw/zinc/64/36/29/529643629.db2.gz SLKGZEQPRUBCAN-SFHVURJKSA-N 1 2 399.560 3.515 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@H]4COC)csc3C2)nc1 ZINC000426578863 529643632 /nfs/dbraw/zinc/64/36/32/529643632.db2.gz SLKGZEQPRUBCAN-SFHVURJKSA-N 1 2 399.560 3.515 50 0 GHAALO CCc1[nH]c2ccc(NC(=O)N3CCC(OCc4cccnc4)CC3)cc2[nH+]1 ZINC000426552301 529748675 /nfs/dbraw/zinc/74/86/75/529748675.db2.gz HRJIKYYWSJGDGL-UHFFFAOYSA-N 1 2 379.464 3.733 50 0 GHAALO Oc1cc(OCC[NH+]2CCOCC2)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000020590091 206296995 /nfs/dbraw/zinc/29/69/95/206296995.db2.gz KVCZUIUGXHELFK-UHFFFAOYSA-N 1 2 399.878 3.814 50 0 GHAALO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@]31c2ccccc2N(CCC(C)C)C1=O ZINC000020064235 206297099 /nfs/dbraw/zinc/29/70/99/206297099.db2.gz LKZLOLOHXHJTQP-XMMPIXPASA-N 1 2 389.499 3.959 50 0 biogenic GHAALO CCOC(=O)c1c2cc(O)c(Br)cc2n(C)c1C[NH+]1CCCCC1 ZINC000000862744 206329451 /nfs/dbraw/zinc/32/94/51/206329451.db2.gz FVFVMOHRRPOOMK-UHFFFAOYSA-N 1 2 395.297 3.809 50 0 biogenic GHAALO COc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000000882827 206330858 /nfs/dbraw/zinc/33/08/58/206330858.db2.gz KNMAAMHKBBEFTP-UHFFFAOYSA-N 1 2 391.456 3.555 50 0 GHAALO Cc1cccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccccc3)C[C@@H]2C)c1 ZINC000001467515 206383485 /nfs/dbraw/zinc/38/34/85/206383485.db2.gz QIUBBZIOZFIKGJ-SFHVURJKSA-N 1 2 384.487 3.839 50 0 GHAALO Cc1[nH]c2ccc(C(=O)N[C@@H](C[NH+]3CCOCC3)c3ccccc3)cc2c1C ZINC000014228544 207017187 /nfs/dbraw/zinc/01/71/87/207017187.db2.gz KPARGWSXSATDAE-QFIPXVFZSA-N 1 2 377.488 3.588 50 0 GHAALO CC(=O)Nc1ccc(CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)cc1 ZINC000014527320 207022147 /nfs/dbraw/zinc/02/21/47/207022147.db2.gz PTTACFDUJWJSIA-UHFFFAOYSA-N 1 2 386.521 3.515 50 0 GHAALO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2cn(C)nc2C)C3)c1 ZINC000014971420 207036538 /nfs/dbraw/zinc/03/65/38/207036538.db2.gz OPULQEAOPLHISF-UHFFFAOYSA-N 1 2 393.487 3.807 50 0 GHAALO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2cn(C)nc2C)C3)c1 ZINC000014971420 207036540 /nfs/dbraw/zinc/03/65/40/207036540.db2.gz OPULQEAOPLHISF-UHFFFAOYSA-N 1 2 393.487 3.807 50 0 GHAALO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)c(F)c1 ZINC000015072170 207044453 /nfs/dbraw/zinc/04/44/53/207044453.db2.gz YVWAPUXKEFCLDA-NRFANRHFSA-N 1 2 394.450 3.623 50 0 GHAALO COc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)c(F)c1 ZINC000015072170 207044457 /nfs/dbraw/zinc/04/44/57/207044457.db2.gz YVWAPUXKEFCLDA-NRFANRHFSA-N 1 2 394.450 3.623 50 0 GHAALO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000015301261 207050251 /nfs/dbraw/zinc/05/02/51/207050251.db2.gz HNXWSUWDWWBJKV-SFHVURJKSA-N 1 2 393.443 3.854 50 0 GHAALO COc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000015301261 207050253 /nfs/dbraw/zinc/05/02/53/207050253.db2.gz HNXWSUWDWWBJKV-SFHVURJKSA-N 1 2 393.443 3.854 50 0 GHAALO COC(=O)c1sccc1NC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000017080489 207083356 /nfs/dbraw/zinc/08/33/56/207083356.db2.gz UUSJRUAKJHTTOX-UHFFFAOYSA-N 1 2 393.896 3.538 50 0 GHAALO Cc1cc(S(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)cc1Cl ZINC000017078635 207084120 /nfs/dbraw/zinc/08/41/20/207084120.db2.gz KSRPATDCHWXRFI-UHFFFAOYSA-N 1 2 384.954 3.525 50 0 GHAALO O=c1[nH]c(=S)n(CCC2=CCCCC2)c(O)c1[C@H]1[NH2+]CCc2ccccc21 ZINC000020149656 207180902 /nfs/dbraw/zinc/18/09/02/207180902.db2.gz LWDWSQAXOLKUTE-SFHVURJKSA-N 1 2 383.517 3.737 50 0 GHAALO O=c1c([C@H]2[NH2+]CCc3ccccc32)c(O)[nH]c(=S)n1CCC1=CCCCC1 ZINC000020149656 207180907 /nfs/dbraw/zinc/18/09/07/207180907.db2.gz LWDWSQAXOLKUTE-SFHVURJKSA-N 1 2 383.517 3.737 50 0 GHAALO CC[N@@H+]1CCc2nc3sc(C(=O)Nc4ccc(OC)cc4)c(N)c3cc2C1 ZINC000020289947 207186372 /nfs/dbraw/zinc/18/63/72/207186372.db2.gz ZEPGRUHQBUKXOD-UHFFFAOYSA-N 1 2 382.489 3.517 50 0 GHAALO CC[N@H+]1CCc2nc3sc(C(=O)Nc4ccc(OC)cc4)c(N)c3cc2C1 ZINC000020289947 207186375 /nfs/dbraw/zinc/18/63/75/207186375.db2.gz ZEPGRUHQBUKXOD-UHFFFAOYSA-N 1 2 382.489 3.517 50 0 GHAALO c1c(-c2ccccc2)c2c(ncnc2NCC[NH+]2CCOCC2)n1-c1ccccc1 ZINC000020325186 207188720 /nfs/dbraw/zinc/18/87/20/207188720.db2.gz OAVXTLATNMJBFB-UHFFFAOYSA-N 1 2 399.498 3.832 50 0 GHAALO CC[C@@H](C)NC(=O)C1CCN(c2cc(C)c3cc(NC(C)=O)ccc3[nH+]2)CC1 ZINC000021703969 207234969 /nfs/dbraw/zinc/23/49/69/207234969.db2.gz TVIHLFVQWLAKEI-OAHLLOKOSA-N 1 2 382.508 3.633 50 0 GHAALO C[N@H+](Cc1cc[nH]n1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000023339450 207274304 /nfs/dbraw/zinc/27/43/04/207274304.db2.gz VMQRIBVFFYVDBD-UHFFFAOYSA-N 1 2 387.443 3.623 50 0 GHAALO C[N@@H+](Cc1cc[nH]n1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000023339450 207274307 /nfs/dbraw/zinc/27/43/07/207274307.db2.gz VMQRIBVFFYVDBD-UHFFFAOYSA-N 1 2 387.443 3.623 50 0 GHAALO FC(F)n1c2ccccc2n(CN2CC[NH+](Cc3cccnc3)CC2)c1=S ZINC000022924364 207265761 /nfs/dbraw/zinc/26/57/61/207265761.db2.gz UYZOFEBEVCOFPX-UHFFFAOYSA-N 1 2 389.475 3.738 50 0 GHAALO O=C(Nc1ccccc1)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000023846883 207282568 /nfs/dbraw/zinc/28/25/68/207282568.db2.gz NDSXSTVWTPOGCR-UHFFFAOYSA-N 1 2 399.494 3.897 50 0 GHAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000024044935 207285445 /nfs/dbraw/zinc/28/54/45/207285445.db2.gz YKERUWXOBWVUOZ-SFHVURJKSA-N 1 2 378.394 3.509 50 0 GHAALO O=C(CCc1cc2ccccc2o1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023596833 207280245 /nfs/dbraw/zinc/28/02/45/207280245.db2.gz PORYZQLUXWTBDY-GOSISDBHSA-N 1 2 384.501 3.617 50 0 GHAALO COc1cccc([C@@H]2C[C@@](C)([NH+]3CCCC3)Oc3cc4c(cc32)OCO4)c1O ZINC000025540825 207303848 /nfs/dbraw/zinc/30/38/48/207303848.db2.gz CRSJWEZUGYNWDK-AOMKIAJQSA-N 1 2 383.444 3.856 50 0 GHAALO C[C@@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccc2ccccc2c1 ZINC000026385376 207312663 /nfs/dbraw/zinc/31/26/63/207312663.db2.gz MMQWPISAONEDHM-QGZVFWFLSA-N 1 2 390.487 3.632 50 0 GHAALO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000029084719 207354811 /nfs/dbraw/zinc/35/48/11/207354811.db2.gz FAWFYNHGXDCROY-SFHVURJKSA-N 1 2 378.394 3.509 50 0 GHAALO COc1ccc(C[NH+]2CCN(Cc3csc(C(C)(C)C)n3)CC2)cc1OC ZINC000029704481 207363936 /nfs/dbraw/zinc/36/39/36/207363936.db2.gz DNQTYLNXMXJBAJ-UHFFFAOYSA-N 1 2 389.565 3.776 50 0 GHAALO COc1ccc(OC)c2nc(-c3ccc(Cl)cc3)c(C[NH+]3CC(O)C3)cc12 ZINC000072425792 208023169 /nfs/dbraw/zinc/02/31/69/208023169.db2.gz HDYLBNKVHSJTII-UHFFFAOYSA-N 1 2 384.863 3.749 50 0 GHAALO O=C(c1cccc(OC(F)F)c1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082098558 208079266 /nfs/dbraw/zinc/07/92/66/208079266.db2.gz TWDWDJQYGIHXLJ-INIZCTEOSA-N 1 2 375.419 3.914 50 0 GHAALO Cc1ccccc1SC1CCN(C(=O)c2csc(C[NH+](C)C)n2)CC1 ZINC000082160551 208082221 /nfs/dbraw/zinc/08/22/21/208082221.db2.gz QDJHIUVHJZMIFK-UHFFFAOYSA-N 1 2 375.563 3.910 50 0 GHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2cnc(Nc3ccccc3)nc2)c1C ZINC000091829710 208139219 /nfs/dbraw/zinc/13/92/19/208139219.db2.gz JGPXWYOPURFQRH-UHFFFAOYSA-N 1 2 377.448 3.513 50 0 GHAALO CCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)N(C)CCc1noc(C2CC2)n1 ZINC000095359461 208162287 /nfs/dbraw/zinc/16/22/87/208162287.db2.gz WBBNFMCPZDLJPJ-INIZCTEOSA-N 1 2 381.480 3.511 50 0 GHAALO CCCOc1ccc(N2C(=O)C[C@@H](n3c[nH+]c4cc(C)c(C)cc43)C2=O)cc1 ZINC000095482841 208196040 /nfs/dbraw/zinc/19/60/40/208196040.db2.gz IOKCRJSNAAAJAM-HXUWFJFHSA-N 1 2 377.444 3.947 50 0 GHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2ccc(O)c(Cl)c2)C1 ZINC000095499721 208202395 /nfs/dbraw/zinc/20/23/95/208202395.db2.gz UUFDDJHRXWOUJY-INIZCTEOSA-N 1 2 375.900 3.991 50 0 GHAALO Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4[nH+]ccn4CC4CC4)C3)[nH]n2)o1 ZINC000095503726 208205004 /nfs/dbraw/zinc/20/50/04/208205004.db2.gz BUPCRQPIQPLSIX-MRXNPFEDSA-N 1 2 379.464 3.604 50 0 GHAALO COc1ccc([NH2+][C@H]2CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)c(OC)c1 ZINC000095943607 208239138 /nfs/dbraw/zinc/23/91/38/208239138.db2.gz PZVKXRSGPPQELZ-GJZGRUSLSA-N 1 2 380.444 3.723 50 0 GHAALO Cc1[nH]c2ccc(NC(=O)NCC3(c4cccc(F)c4)CCOCC3)cc2[nH+]1 ZINC000096164344 208280534 /nfs/dbraw/zinc/28/05/34/208280534.db2.gz HFDFNJNLDVGPBK-UHFFFAOYSA-N 1 2 382.439 3.880 50 0 GHAALO Cc1[nH]c2ccc(CNC(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)cc2[nH+]1 ZINC000096164385 208280592 /nfs/dbraw/zinc/28/05/92/208280592.db2.gz KCWVPYPPTYXWQM-SFHVURJKSA-N 1 2 380.448 3.751 50 0 GHAALO Cc1[nH]c2cc(CNC(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)ccc2[nH+]1 ZINC000096164385 208280597 /nfs/dbraw/zinc/28/05/97/208280597.db2.gz KCWVPYPPTYXWQM-SFHVURJKSA-N 1 2 380.448 3.751 50 0 GHAALO O=C1[C@@H]2CCCC[C@@H]2C(=O)N1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000097029965 208334243 /nfs/dbraw/zinc/33/42/43/208334243.db2.gz RMFHKUKSDVFYMO-CALCHBBNSA-N 1 2 380.410 3.803 50 0 GHAALO O=C1[C@@H]2CCCC[C@@H]2C(=O)N1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000097029965 208334249 /nfs/dbraw/zinc/33/42/49/208334249.db2.gz RMFHKUKSDVFYMO-CALCHBBNSA-N 1 2 380.410 3.803 50 0 GHAALO C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018047639 208804339 /nfs/dbraw/zinc/80/43/39/208804339.db2.gz WXVHCTUONINNPE-UONOGXRCSA-N 1 2 392.484 3.796 50 0 GHAALO CC(C)c1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2nnc(C3CC3)s2)no1 ZINC000244778645 209023905 /nfs/dbraw/zinc/02/39/05/209023905.db2.gz PUFMBSNGCUCGRQ-CQSZACIVSA-N 1 2 375.498 3.693 50 0 GHAALO CC(C)c1cc([C@H]2CCC[N@H+]2CCC(=O)Nc2nnc(C3CC3)s2)no1 ZINC000244778645 209023908 /nfs/dbraw/zinc/02/39/08/209023908.db2.gz PUFMBSNGCUCGRQ-CQSZACIVSA-N 1 2 375.498 3.693 50 0 GHAALO c1c2ccccc2sc1C[N@H+]1CCn2nc(CNc3ncccn3)cc2C1 ZINC000299787827 209088836 /nfs/dbraw/zinc/08/88/36/209088836.db2.gz REWTYUAURQAYDT-UHFFFAOYSA-N 1 2 376.489 3.516 50 0 GHAALO c1c2ccccc2sc1C[N@@H+]1CCn2nc(CNc3ncccn3)cc2C1 ZINC000299787827 209088838 /nfs/dbraw/zinc/08/88/38/209088838.db2.gz REWTYUAURQAYDT-UHFFFAOYSA-N 1 2 376.489 3.516 50 0 GHAALO CCCNC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccccc4F)CC3)c2c1 ZINC000064667893 136157427 /nfs/dbraw/zinc/15/74/27/136157427.db2.gz VKXZEOUSORFZCQ-UHFFFAOYSA-N 1 2 392.478 3.840 50 0 GHAALO CCC(=O)N1CCc2[nH]cnc2C12CCN(c1cc(C)c3ccccc3[nH+]1)CC2 ZINC000095530604 136181992 /nfs/dbraw/zinc/18/19/92/136181992.db2.gz IRGHOESDDVVIOD-UHFFFAOYSA-N 1 2 389.503 3.557 50 0 GHAALO Cc1ccc(Cc2c(C)[nH+]c(C(C)C)nc2N2CCN(C(=O)N(C)C)CC2)cc1 ZINC000096317197 136186410 /nfs/dbraw/zinc/18/64/10/136186410.db2.gz KIGPGFXLBWOLSY-UHFFFAOYSA-N 1 2 395.551 3.611 50 0 GHAALO Cc1ccc(Cc2c(C)[nH+]c(C3CC3)nc2N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000096317176 136186499 /nfs/dbraw/zinc/18/64/99/136186499.db2.gz BDWNMAGWLKNFGN-UHFFFAOYSA-N 1 2 390.531 3.620 50 0 GHAALO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000155220417 136195899 /nfs/dbraw/zinc/19/58/99/136195899.db2.gz NDYJADQUEKOVHO-UHFFFAOYSA-N 1 2 399.450 3.690 50 0 GHAALO COc1ccccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000058449979 537070473 /nfs/dbraw/zinc/07/04/73/537070473.db2.gz AFDFZBGHNRAZRK-GOSISDBHSA-N 1 2 389.499 3.998 50 0 GHAALO CC(=O)c1cc2c(cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)OCO2 ZINC000012809780 570221853 /nfs/dbraw/zinc/22/18/53/570221853.db2.gz HPOVJPAXSRPMGB-SFHVURJKSA-N 1 2 384.407 3.533 50 0 GHAALO CC(=O)c1cc2c(cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1)OCO2 ZINC000012809780 570221854 /nfs/dbraw/zinc/22/18/54/570221854.db2.gz HPOVJPAXSRPMGB-SFHVURJKSA-N 1 2 384.407 3.533 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(Br)cc1)c1cccc(F)c1 ZINC000012809041 570222443 /nfs/dbraw/zinc/22/24/43/570222443.db2.gz QAGAELFEGMCROT-INIZCTEOSA-N 1 2 388.240 3.841 50 0 GHAALO CC[NH+](CC)Cc1nc(C2(NC(=O)c3ccc4ccccc4n3)CCCC2)no1 ZINC000048324022 570235455 /nfs/dbraw/zinc/23/54/55/570235455.db2.gz KHSVMJFTZFSGDR-UHFFFAOYSA-N 1 2 393.491 3.659 50 0 GHAALO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)C1c2ccccc2Oc2ccccc21 ZINC000048375061 570249149 /nfs/dbraw/zinc/24/91/49/570249149.db2.gz XJAKNRYRVQEIKG-UHFFFAOYSA-N 1 2 382.423 3.821 50 0 GHAALO O=C(CCC(=O)c1ccc(F)cc1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048938957 570255770 /nfs/dbraw/zinc/25/57/70/570255770.db2.gz QBZFQRSQIKISFK-UHFFFAOYSA-N 1 2 383.467 3.880 50 0 GHAALO Cc1ccc2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1ccc(C)c(Cl)c1)CC3 ZINC000048987762 570256326 /nfs/dbraw/zinc/25/63/26/570256326.db2.gz ONSPETFEVFHVHV-UHFFFAOYSA-N 1 2 395.890 3.795 50 0 GHAALO Cc1ccc2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1ccc(C)c(Cl)c1)CC3 ZINC000048987762 570256329 /nfs/dbraw/zinc/25/63/29/570256329.db2.gz ONSPETFEVFHVHV-UHFFFAOYSA-N 1 2 395.890 3.795 50 0 GHAALO COc1ccc(OC)c(NC(=O)C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000012852580 570266632 /nfs/dbraw/zinc/26/66/32/570266632.db2.gz MFVJCAMPTPBMMY-UHFFFAOYSA-N 1 2 391.471 3.913 50 0 GHAALO COc1ccc(OC)c(NC(=O)C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000012852580 570266634 /nfs/dbraw/zinc/26/66/34/570266634.db2.gz MFVJCAMPTPBMMY-UHFFFAOYSA-N 1 2 391.471 3.913 50 0 GHAALO CCOc1ccc2ncc(C(=O)c3ccccc3)c(N3CC[NH+](C)CC3)c2c1 ZINC000006000466 570275218 /nfs/dbraw/zinc/27/52/18/570275218.db2.gz JHADVXBWSIVLSF-UHFFFAOYSA-N 1 2 375.472 3.616 50 0 GHAALO O=C(COc1ccc(Cl)c2cccnc12)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000043285818 570301887 /nfs/dbraw/zinc/30/18/87/570301887.db2.gz ZSUAJPPLBIOMIY-UHFFFAOYSA-N 1 2 396.878 3.579 50 0 GHAALO Cc1cccc(OCCC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)c1C ZINC000024856790 570315665 /nfs/dbraw/zinc/31/56/65/570315665.db2.gz AVHYVNLZNJOFCV-OAQYLSRUSA-N 1 2 381.451 3.851 50 0 GHAALO Cc1ccc(Nc2nc(N)nc(C[NH+]3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000004168468 570360848 /nfs/dbraw/zinc/36/08/48/570360848.db2.gz YLFQRIAJDAGQSL-UHFFFAOYSA-N 1 2 388.519 3.961 50 0 GHAALO CSc1ccc(C[N@H+](C)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 ZINC000023508187 570364406 /nfs/dbraw/zinc/36/44/06/570364406.db2.gz JTFCBKIZRKXPMT-QFIPXVFZSA-N 1 2 395.528 3.581 50 0 GHAALO CSc1ccc(C[N@@H+](C)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 ZINC000023508187 570364410 /nfs/dbraw/zinc/36/44/10/570364410.db2.gz JTFCBKIZRKXPMT-QFIPXVFZSA-N 1 2 395.528 3.581 50 0 GHAALO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3cc(C)c(C)cc3OC(F)F)CCO2)n1 ZINC000122645912 570387653 /nfs/dbraw/zinc/38/76/53/570387653.db2.gz KHZJMCNVERAZEJ-GOSISDBHSA-N 1 2 379.451 3.619 50 0 GHAALO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3cc(C)c(C)cc3OC(F)F)CCO2)n1 ZINC000122645912 570387655 /nfs/dbraw/zinc/38/76/55/570387655.db2.gz KHZJMCNVERAZEJ-GOSISDBHSA-N 1 2 379.451 3.619 50 0 GHAALO CC[C@H](C)NC(=O)c1csc(C[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)n1 ZINC000035853902 570465924 /nfs/dbraw/zinc/46/59/24/570465924.db2.gz UYYTUYQONHSQTA-INIZCTEOSA-N 1 2 399.560 3.794 50 0 GHAALO FC(F)(F)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)nc2c1CCCC2 ZINC000426620304 570501690 /nfs/dbraw/zinc/50/16/90/570501690.db2.gz WWKBEPARSVPLHT-UHFFFAOYSA-N 1 2 377.410 3.873 50 0 GHAALO COCCNC(=O)c1coc(C[N@H+](Cc2ccc(C(C)(C)C)cc2)C(C)C)n1 ZINC000036082989 570529569 /nfs/dbraw/zinc/52/95/69/570529569.db2.gz MJMAUARPSOOUHH-UHFFFAOYSA-N 1 2 387.524 3.759 50 0 GHAALO COCCNC(=O)c1coc(C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C(C)C)n1 ZINC000036082989 570529572 /nfs/dbraw/zinc/52/95/72/570529572.db2.gz MJMAUARPSOOUHH-UHFFFAOYSA-N 1 2 387.524 3.759 50 0 GHAALO Cc1c2cccc(C)c2[nH]c1CN1CC[N@H+](Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000039515546 570592918 /nfs/dbraw/zinc/59/29/18/570592918.db2.gz GDYAFOFSGKQPSZ-OAQYLSRUSA-N 1 2 395.522 3.993 50 0 GHAALO Cc1c2cccc(C)c2[nH]c1CN1CC[N@@H+](Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000039515546 570592922 /nfs/dbraw/zinc/59/29/22/570592922.db2.gz GDYAFOFSGKQPSZ-OAQYLSRUSA-N 1 2 395.522 3.993 50 0 GHAALO CN(C)c1nc(N2CC[NH+](Cc3ccccc3Cl)CC2)nc2ccccc21 ZINC000041147133 570615423 /nfs/dbraw/zinc/61/54/23/570615423.db2.gz DTVIMPYQTHRCQC-UHFFFAOYSA-N 1 2 381.911 3.671 50 0 GHAALO Cc1nc(-c2ccccc2F)sc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000012391805 570643868 /nfs/dbraw/zinc/64/38/68/570643868.db2.gz PTSRSZWANZIJFV-UHFFFAOYSA-N 1 2 382.464 3.615 50 0 GHAALO Cc1cccc(C)c1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cccnc1 ZINC000013573437 570657876 /nfs/dbraw/zinc/65/78/76/570657876.db2.gz HAFNZVVDSICIJK-UHFFFAOYSA-N 1 2 398.576 3.620 50 0 GHAALO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000055386371 570693860 /nfs/dbraw/zinc/69/38/60/570693860.db2.gz OIQLDYLKPXTGIT-CQSZACIVSA-N 1 2 391.924 3.955 50 0 GHAALO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000055386371 570693866 /nfs/dbraw/zinc/69/38/66/570693866.db2.gz OIQLDYLKPXTGIT-CQSZACIVSA-N 1 2 391.924 3.955 50 0 GHAALO O=C1[C@H]2[C@H]3CSC[N@@H+]3[C@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccccc1 ZINC000004399615 570730292 /nfs/dbraw/zinc/73/02/92/570730292.db2.gz KRCZASBHGOCUQV-VSZNYVQBSA-N 1 2 384.888 3.575 50 0 GHAALO O=C1[C@H]2[C@H]3CSC[N@H+]3[C@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccccc1 ZINC000004399615 570730294 /nfs/dbraw/zinc/73/02/94/570730294.db2.gz KRCZASBHGOCUQV-VSZNYVQBSA-N 1 2 384.888 3.575 50 0 GHAALO COc1cccc(NC(=O)c2cc3c(n2C)CC[N@H+](Cc2ccc(F)cc2)C3)c1 ZINC000065211035 570730515 /nfs/dbraw/zinc/73/05/15/570730515.db2.gz CTOODIOVNSHHCN-UHFFFAOYSA-N 1 2 393.462 3.983 50 0 GHAALO COc1cccc(NC(=O)c2cc3c(n2C)CC[N@@H+](Cc2ccc(F)cc2)C3)c1 ZINC000065211035 570730517 /nfs/dbraw/zinc/73/05/17/570730517.db2.gz CTOODIOVNSHHCN-UHFFFAOYSA-N 1 2 393.462 3.983 50 0 GHAALO O=C(C[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)no1)NCc1ccccc1 ZINC000065250100 570748985 /nfs/dbraw/zinc/74/89/85/570748985.db2.gz IHWKGGOMVMMQFP-IBGZPJMESA-N 1 2 394.450 3.719 50 0 GHAALO O=C(C[N@@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)no1)NCc1ccccc1 ZINC000065250100 570748990 /nfs/dbraw/zinc/74/89/90/570748990.db2.gz IHWKGGOMVMMQFP-IBGZPJMESA-N 1 2 394.450 3.719 50 0 GHAALO Cc1nn(C)c(C)c1NC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2nccs2)cc1 ZINC000065427240 570767886 /nfs/dbraw/zinc/76/78/86/570767886.db2.gz GXXQEDOTXJDKPL-OAHLLOKOSA-N 1 2 383.521 3.939 50 0 GHAALO Cc1nn(C)c(C)c1NC(=O)c1ccc(C[N@H+](C)[C@H](C)c2nccs2)cc1 ZINC000065427240 570767891 /nfs/dbraw/zinc/76/78/91/570767891.db2.gz GXXQEDOTXJDKPL-OAHLLOKOSA-N 1 2 383.521 3.939 50 0 GHAALO Cc1cccc2sc(N(CCC[NH+]3CCOCC3)C(=O)c3ccco3)nc21 ZINC000022997316 570775768 /nfs/dbraw/zinc/77/57/68/570775768.db2.gz CESOLVVRYNPOMD-UHFFFAOYSA-N 1 2 385.489 3.567 50 0 GHAALO COc1ccc(C(=O)C2CC[NH+](Cc3nnc(Cc4ccccc4)o3)CC2)cc1 ZINC000110181396 570791012 /nfs/dbraw/zinc/79/10/12/570791012.db2.gz BFGFBUOHWWNCCW-UHFFFAOYSA-N 1 2 391.471 3.764 50 0 GHAALO CCN(C)C(=O)[C@H](C)[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067975191 570799639 /nfs/dbraw/zinc/79/96/39/570799639.db2.gz BROOOAOOICEJPU-AWEZNQCLSA-N 1 2 388.895 3.774 50 0 GHAALO CCN(C)C(=O)[C@H](C)[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067975191 570799641 /nfs/dbraw/zinc/79/96/41/570799641.db2.gz BROOOAOOICEJPU-AWEZNQCLSA-N 1 2 388.895 3.774 50 0 GHAALO C[C@@H](NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000032787231 570809528 /nfs/dbraw/zinc/80/95/28/570809528.db2.gz PAXOHJDNFKZWMK-QGZVFWFLSA-N 1 2 388.471 3.880 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)NCCCCc1ccccc1)c1cccc(F)c1 ZINC000032802413 570821058 /nfs/dbraw/zinc/82/10/58/570821058.db2.gz PWUHHTRENFAVSV-HXUWFJFHSA-N 1 2 380.467 3.971 50 0 GHAALO COc1cc(OC)cc([C@@H](NC(=O)Nc2ccc(C)cc2)c2[nH+]ccn2C)c1 ZINC000012507641 570823222 /nfs/dbraw/zinc/82/32/22/570823222.db2.gz XHXGJASKKBJIGI-LJQANCHMSA-N 1 2 380.448 3.657 50 0 GHAALO COc1cc(OC)cc([C@@H](NC(=O)Nc2cccc(C)c2)c2[nH+]ccn2C)c1 ZINC000012507643 570823752 /nfs/dbraw/zinc/82/37/52/570823752.db2.gz RJOYMXBSDNRMEK-LJQANCHMSA-N 1 2 380.448 3.657 50 0 GHAALO C[C@H]1CCCC[N@H+]1Cc1cc(=O)n2nc(-c3ccc(C(C)(C)C)cc3)[nH]c2n1 ZINC000101747746 570832128 /nfs/dbraw/zinc/83/21/28/570832128.db2.gz UOAXNJYLCYNQRC-HNNXBMFYSA-N 1 2 379.508 3.757 50 0 GHAALO O=C(C[N@@H+]1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1)NC1CC1 ZINC000071707916 570843172 /nfs/dbraw/zinc/84/31/72/570843172.db2.gz BQYVFDWXZRSLRH-SFHVURJKSA-N 1 2 378.472 3.652 50 0 GHAALO O=C(C[N@H+]1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1)NC1CC1 ZINC000071707916 570843178 /nfs/dbraw/zinc/84/31/78/570843178.db2.gz BQYVFDWXZRSLRH-SFHVURJKSA-N 1 2 378.472 3.652 50 0 GHAALO Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032855866 570855621 /nfs/dbraw/zinc/85/56/21/570855621.db2.gz QPYXITGWCNZFSS-UHFFFAOYSA-N 1 2 384.483 3.955 50 0 GHAALO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2nc(-c3cccs3)no2)C1 ZINC000170616741 570874256 /nfs/dbraw/zinc/87/42/56/570874256.db2.gz JZKSZNXVPQBOIV-IBGZPJMESA-N 1 2 390.509 3.774 50 0 GHAALO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2nc(-c3cccs3)no2)C1 ZINC000170616741 570874261 /nfs/dbraw/zinc/87/42/61/570874261.db2.gz JZKSZNXVPQBOIV-IBGZPJMESA-N 1 2 390.509 3.774 50 0 GHAALO CCC[N@H+](CC(=O)Nc1ccc(C)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000003584848 570877366 /nfs/dbraw/zinc/87/73/66/570877366.db2.gz HPYSHPVDOMWMGZ-UHFFFAOYSA-N 1 2 393.409 3.702 50 0 GHAALO CCC[N@@H+](CC(=O)Nc1ccc(C)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000003584848 570877371 /nfs/dbraw/zinc/87/73/71/570877371.db2.gz HPYSHPVDOMWMGZ-UHFFFAOYSA-N 1 2 393.409 3.702 50 0 GHAALO COc1ccc(C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000023106360 570905394 /nfs/dbraw/zinc/90/53/94/570905394.db2.gz LGRNBJUNFLDANJ-HSZRJFAPSA-N 1 2 390.483 3.652 50 0 GHAALO CC(C)n1cc[nH+]c1-c1ccc(C(=O)N[C@H](C)[C@@H](O)c2ccc(O)cc2)cc1 ZINC000534590067 570906178 /nfs/dbraw/zinc/90/61/78/570906178.db2.gz DRHNMKKTUMOEGR-FOIQADDNSA-N 1 2 379.460 3.689 50 0 GHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1 ZINC000032934513 570946766 /nfs/dbraw/zinc/94/67/66/570946766.db2.gz BQQFPIDTVUCZOU-UHFFFAOYSA-N 1 2 392.381 3.661 50 0 GHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1 ZINC000032934513 570946772 /nfs/dbraw/zinc/94/67/72/570946772.db2.gz BQQFPIDTVUCZOU-UHFFFAOYSA-N 1 2 392.381 3.661 50 0 GHAALO COc1ccc(/C=C\C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1OC ZINC000033288765 570956098 /nfs/dbraw/zinc/95/60/98/570956098.db2.gz SDGONGUYCYLNTL-ZOWFANGCSA-N 1 2 392.499 3.575 50 0 GHAALO Cc1cccc2nc(C[N@@H+]3CCC[C@@H]3c3nc4ccccc4s3)cc(=O)n12 ZINC000007606230 570998061 /nfs/dbraw/zinc/99/80/61/570998061.db2.gz YMVLTKJZTWZPJY-QGZVFWFLSA-N 1 2 376.485 3.950 50 0 GHAALO Cc1cccc2nc(C[N@H+]3CCC[C@@H]3c3nc4ccccc4s3)cc(=O)n12 ZINC000007606230 570998064 /nfs/dbraw/zinc/99/80/64/570998064.db2.gz YMVLTKJZTWZPJY-QGZVFWFLSA-N 1 2 376.485 3.950 50 0 GHAALO COCCn1c(Cc2ccccc2)nnc1SCc1cn2cc(C)ccc2[nH+]1 ZINC000007738639 571028844 /nfs/dbraw/zinc/02/88/44/571028844.db2.gz XXINWNICZMKDJT-UHFFFAOYSA-N 1 2 393.516 3.764 50 0 GHAALO Cc1ccc2c(c1)[C@H](NC(=O)N1CCC(Cn3cc[nH+]c3)CC1)CC(C)(C)O2 ZINC000584895478 841187308 /nfs/dbraw/zinc/18/73/08/841187308.db2.gz IRESOEFTRSQIDV-LJQANCHMSA-N 1 2 382.508 3.916 50 0 GHAALO CC[C@@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1cccc(C)n1 ZINC000584898715 841198409 /nfs/dbraw/zinc/19/84/09/841198409.db2.gz ANZMNPUYTMSHPG-NBILRRPASA-N 1 2 378.520 3.882 50 0 GHAALO C[C@H]1CN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC2(CCCCC2)O1 ZINC000888093873 842460358 /nfs/dbraw/zinc/46/03/58/842460358.db2.gz BRAQBMIWHUXUOF-IBGZPJMESA-N 1 2 396.535 3.607 50 0 GHAALO Cc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000008751355 856345063 /nfs/dbraw/zinc/34/50/63/856345063.db2.gz DUEDMXGWGBENFV-UHFFFAOYSA-N 1 2 392.425 3.890 50 0 GHAALO CCCCc1noc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)C3CC3)CC2)n1 ZINC000069951349 857164219 /nfs/dbraw/zinc/16/42/19/857164219.db2.gz WTCHZIZZWMVEOH-IBGZPJMESA-N 1 2 388.556 3.805 50 0 GHAALO CCc1ccccc1NC(=O)CNc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000009456469 857203836 /nfs/dbraw/zinc/20/38/36/857203836.db2.gz INMOPZJZDNKYQP-UHFFFAOYSA-N 1 2 390.422 3.568 50 0 GHAALO Cc1sc2nc(C[NH+]3CCCC3)nc(Oc3ccc(C(N)=O)cc3)c2c1C ZINC000009645235 857274587 /nfs/dbraw/zinc/27/45/87/857274587.db2.gz MFDIRIFQSLJXGQ-UHFFFAOYSA-N 1 2 382.489 3.795 50 0 GHAALO C[C@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ncccc4Cl)CC3)cc2NC1=O ZINC000528419338 860345933 /nfs/dbraw/zinc/34/59/33/860345933.db2.gz ZFEVBCOKDXCCAO-CYBMUJFWSA-N 1 2 399.878 3.549 50 0 GHAALO C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](Cc4ncccc4Cl)CC3)cc2NC1=O ZINC000528419339 860346238 /nfs/dbraw/zinc/34/62/38/860346238.db2.gz ZFEVBCOKDXCCAO-ZDUSSCGKSA-N 1 2 399.878 3.549 50 0 GHAALO COc1c2c(cc3c1[C@H](CC(=O)c1cc4ccccc4o1)[N@H+](C)CC3)OCO2 ZINC000020112991 860489398 /nfs/dbraw/zinc/48/93/98/860489398.db2.gz DFXCHVQKSWZORX-HNNXBMFYSA-N 1 2 379.412 3.972 50 0 biogenic GHAALO COc1c2c(cc3c1[C@H](CC(=O)c1cc4ccccc4o1)[N@@H+](C)CC3)OCO2 ZINC000020112991 860489442 /nfs/dbraw/zinc/48/94/42/860489442.db2.gz DFXCHVQKSWZORX-HNNXBMFYSA-N 1 2 379.412 3.972 50 0 biogenic GHAALO CCc1csc([C@H]2CCCN(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000172256136 863385027 /nfs/dbraw/zinc/38/50/27/863385027.db2.gz GEXNLGOKVLCHNR-KRWDZBQOSA-N 1 2 395.532 3.980 50 0 GHAALO Cc1nc(C)c(C(=O)NC[C@@H]2CCC[N@H+](Cc3c(Cl)cncc3Cl)C2)o1 ZINC000825268548 864361646 /nfs/dbraw/zinc/36/16/46/864361646.db2.gz ODYMUWCDTAMOJM-ZDUSSCGKSA-N 1 2 397.306 3.635 50 0 GHAALO Cc1nc(C)c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3c(Cl)cncc3Cl)C2)o1 ZINC000825268548 864361653 /nfs/dbraw/zinc/36/16/53/864361653.db2.gz ODYMUWCDTAMOJM-ZDUSSCGKSA-N 1 2 397.306 3.635 50 0 GHAALO O=C(c1cccs1)N1CC[C@@]2(C1)[NH2+]Cc1ccccc1NC2=NC1CCCC1 ZINC000065265872 865516468 /nfs/dbraw/zinc/51/64/68/865516468.db2.gz UPUSYIFRDPKVNN-QFIPXVFZSA-N 1 2 394.544 3.698 50 0 GHAALO COc1ccc(C(=O)N2CCC(n3c(C)c[nH+]c3-c3ccncc3)CC2)cc1F ZINC000575549211 866190060 /nfs/dbraw/zinc/19/00/60/866190060.db2.gz IVEWMMHAMMOPHN-UHFFFAOYSA-N 1 2 394.450 3.879 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 ZINC000581805502 870025842 /nfs/dbraw/zinc/02/58/42/870025842.db2.gz AYRFFZBWYVHXNQ-IBGZPJMESA-N 1 2 394.450 3.635 50 0 GHAALO COc1ccc(C(=O)N2CCC[C@@H](Cn3c(C)c[nH+]c3-c3cccnc3)C2)cc1 ZINC000581806918 870036752 /nfs/dbraw/zinc/03/67/52/870036752.db2.gz DGRMVDGRUQOJBO-GOSISDBHSA-N 1 2 390.487 3.815 50 0 GHAALO CC(=O)c1ccc(NC(=O)[C@H](C)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000033581576 883996406 /nfs/dbraw/zinc/99/64/06/883996406.db2.gz CPMRPOUFRFQMGC-QBUQCISBSA-N 1 2 391.515 3.547 50 0 GHAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc3oc(C)c(C)c3c(N)n2)c(OC)c1 ZINC000154222315 890415591 /nfs/dbraw/zinc/41/55/91/890415591.db2.gz NWTKYCDBKZQDPY-MRXNPFEDSA-N 1 2 382.464 3.776 50 0 GHAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc3oc(C)c(C)c3c(N)n2)c(OC)c1 ZINC000154222315 890415602 /nfs/dbraw/zinc/41/56/02/890415602.db2.gz NWTKYCDBKZQDPY-MRXNPFEDSA-N 1 2 382.464 3.776 50 0 GHAALO O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000655254076 930487236 /nfs/dbraw/zinc/48/72/36/930487236.db2.gz YPPQHJIWBSUOAN-AWEZNQCLSA-N 1 2 393.409 3.582 50 0 GHAALO Cc1cnc(C)c(-c2ccc(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)cc2)n1 ZINC000426503051 231229575 /nfs/dbraw/zinc/22/95/75/231229575.db2.gz DAGDYXJMCXFNBE-SFHVURJKSA-N 1 2 375.476 3.509 50 0 GHAALO CC(C)Oc1ccc(C[NH2+][C@@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 ZINC000263619518 206291257 /nfs/dbraw/zinc/29/12/57/206291257.db2.gz ZBAFUJMXCKLZMA-NRFANRHFSA-N 1 2 394.450 3.508 50 0 GHAALO NC(COc1ncn(-c2ccccc2)n1)=[NH+]Nc1ccc(Cl)cc1Cl ZINC000001385326 206378012 /nfs/dbraw/zinc/37/80/12/206378012.db2.gz GYNMUHORESCSTD-UHFFFAOYSA-N 1 2 377.235 3.547 50 0 GHAALO C[N@@H+]1CCc2nc(NC(=O)c3ccc(C4SCCS4)cc3)sc2C1 ZINC000014182761 207014111 /nfs/dbraw/zinc/01/41/11/207014111.db2.gz VTYWBTZLCCDMJN-UHFFFAOYSA-N 1 2 377.560 3.862 50 0 GHAALO C[N@H+]1CCc2nc(NC(=O)c3ccc(C4SCCS4)cc3)sc2C1 ZINC000014182761 207014114 /nfs/dbraw/zinc/01/41/14/207014114.db2.gz VTYWBTZLCCDMJN-UHFFFAOYSA-N 1 2 377.560 3.862 50 0 GHAALO COc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)c(F)c1 ZINC000015072169 207044904 /nfs/dbraw/zinc/04/49/04/207044904.db2.gz YVWAPUXKEFCLDA-OAQYLSRUSA-N 1 2 394.450 3.623 50 0 GHAALO COc1ccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)c(F)c1 ZINC000015072169 207044909 /nfs/dbraw/zinc/04/49/09/207044909.db2.gz YVWAPUXKEFCLDA-OAQYLSRUSA-N 1 2 394.450 3.623 50 0 GHAALO CN(CC[NH+]1CCOCC1)C(=O)C[C@H](c1ccccc1)c1ccccc1Cl ZINC000015075586 207046658 /nfs/dbraw/zinc/04/66/58/207046658.db2.gz SPDHXVPAWSGAMR-HXUWFJFHSA-N 1 2 386.923 3.653 50 0 GHAALO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)cc1OC ZINC000015076667 207047069 /nfs/dbraw/zinc/04/70/69/207047069.db2.gz OISWLKUEYCKEFZ-MRXNPFEDSA-N 1 2 379.460 3.675 50 0 GHAALO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)cc1OC ZINC000015076667 207047072 /nfs/dbraw/zinc/04/70/72/207047072.db2.gz OISWLKUEYCKEFZ-MRXNPFEDSA-N 1 2 379.460 3.675 50 0 GHAALO COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C[NH+]1CCCCC1 ZINC000017079331 207083981 /nfs/dbraw/zinc/08/39/81/207083981.db2.gz SHDXUTAJLRRLSI-UHFFFAOYSA-N 1 2 388.489 3.635 50 0 GHAALO Cc1c2cc(C)ccc2[nH]c1CN1CC[N@H+](Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000019229312 207108621 /nfs/dbraw/zinc/10/86/21/207108621.db2.gz BJNLURHYUFHSDN-NRFANRHFSA-N 1 2 395.522 3.993 50 0 GHAALO Cc1c2cc(C)ccc2[nH]c1CN1CC[N@@H+](Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000019229312 207108624 /nfs/dbraw/zinc/10/86/24/207108624.db2.gz BJNLURHYUFHSDN-NRFANRHFSA-N 1 2 395.522 3.993 50 0 GHAALO O=c1[nH]c(=S)n(-c2ccc(F)cc2)c2c1C[N@@H+](CCCc1ccccc1)CN2 ZINC000019932923 207171460 /nfs/dbraw/zinc/17/14/60/207171460.db2.gz LVKOWVMIBKEQRE-UHFFFAOYSA-N 1 2 396.491 3.852 50 0 GHAALO O=c1[nH]c(=S)n(-c2ccc(F)cc2)c2c1C[N@H+](CCCc1ccccc1)CN2 ZINC000019932923 207171465 /nfs/dbraw/zinc/17/14/65/207171465.db2.gz LVKOWVMIBKEQRE-UHFFFAOYSA-N 1 2 396.491 3.852 50 0 GHAALO CN(C)C(=O)c1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000020254548 207185280 /nfs/dbraw/zinc/18/52/80/207185280.db2.gz VEKIHSGBSYMUMZ-KRWDZBQOSA-N 1 2 394.500 3.613 50 0 GHAALO Cc1nc2sc3c(c2c2nc(COc4ccccc4Cl)nn21)CC[N@@H+](C)C3 ZINC000020567320 207202096 /nfs/dbraw/zinc/20/20/96/207202096.db2.gz OECXLDNKUJRHRN-UHFFFAOYSA-N 1 2 399.907 3.868 50 0 GHAALO Cc1nc2sc3c(c2c2nc(COc4ccccc4Cl)nn21)CC[N@H+](C)C3 ZINC000020567320 207202100 /nfs/dbraw/zinc/20/21/00/207202100.db2.gz OECXLDNKUJRHRN-UHFFFAOYSA-N 1 2 399.907 3.868 50 0 GHAALO Cc1nn(C)c(Cl)c1C(=O)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022426708 207253859 /nfs/dbraw/zinc/25/38/59/207253859.db2.gz CFFLOQODOQNRAK-UHFFFAOYSA-N 1 2 388.924 3.555 50 0 GHAALO C[C@H](c1ccc(F)cc1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022789789 207261043 /nfs/dbraw/zinc/26/10/43/207261043.db2.gz LOUPLLMTJMOUDK-OAHLLOKOSA-N 1 2 375.875 3.796 50 0 GHAALO C[C@@H](C(=O)Nc1ccccc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022779342 207261549 /nfs/dbraw/zinc/26/15/49/207261549.db2.gz AYRPBYRLXJYZKP-HNNXBMFYSA-N 1 2 375.875 3.624 50 0 GHAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1sc2ccccc2c1Cl ZINC000025290357 207303045 /nfs/dbraw/zinc/30/30/45/207303045.db2.gz YLGJJXULKUJGSO-UHFFFAOYSA-N 1 2 387.892 3.716 50 0 GHAALO O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)NCCc1cn2ccccc2[nH+]1 ZINC000025529229 207303974 /nfs/dbraw/zinc/30/39/74/207303974.db2.gz ZIYPUQSYNXGJCF-QPJJXVBHSA-N 1 2 379.847 3.679 50 0 GHAALO C[C@H](NC(=O)NCc1ccc[nH+]c1N1CCOCC1)c1ccc2ccccc2c1 ZINC000026385380 207313798 /nfs/dbraw/zinc/31/37/98/207313798.db2.gz MMQWPISAONEDHM-KRWDZBQOSA-N 1 2 390.487 3.632 50 0 GHAALO O=C(CSc1ncccn1)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000038671569 207314636 /nfs/dbraw/zinc/31/46/36/207314636.db2.gz YBOXMPJCBYPOIA-UHFFFAOYSA-N 1 2 381.505 3.535 50 0 GHAALO Cc1cc(N2CCN(Cc3ccccc3Br)CC2)nc(C(C)C)[nH+]1 ZINC000027545320 207326627 /nfs/dbraw/zinc/32/66/27/207326627.db2.gz NBGRRTZSVWNYSA-UHFFFAOYSA-N 1 2 389.341 3.993 50 0 GHAALO C[N@@H+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@@H](c2ccccc2)C1 ZINC000030030586 207369734 /nfs/dbraw/zinc/36/97/34/207369734.db2.gz SKFLDVSBRUDEBW-HXUWFJFHSA-N 1 2 380.879 3.859 50 0 GHAALO C[N@H+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@@H](c2ccccc2)C1 ZINC000030030586 207369738 /nfs/dbraw/zinc/36/97/38/207369738.db2.gz SKFLDVSBRUDEBW-HXUWFJFHSA-N 1 2 380.879 3.859 50 0 GHAALO C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000032346614 207395435 /nfs/dbraw/zinc/39/54/35/207395435.db2.gz AQUPGWHKIRSPER-INIZCTEOSA-N 1 2 395.484 3.716 50 0 GHAALO COc1ccccc1C(=O)N1CC[NH+](Cc2ccc(-c3ccccn3)cc2)CC1 ZINC000072166557 207985736 /nfs/dbraw/zinc/98/57/36/207985736.db2.gz NZKUXRGUFSUULV-UHFFFAOYSA-N 1 2 387.483 3.715 50 0 GHAALO C[C@@H](CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)[NH+]1CCOCC1 ZINC000080345458 208078024 /nfs/dbraw/zinc/07/80/24/208078024.db2.gz KXVBAOMBFHYGPN-LBPRGKRZSA-N 1 2 383.275 3.704 50 0 GHAALO COC(=O)[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000095405172 208178163 /nfs/dbraw/zinc/17/81/63/208178163.db2.gz RYJAWTQGRZUYGU-JOCHJYFZSA-N 1 2 375.472 3.762 50 0 GHAALO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000095405172 208178167 /nfs/dbraw/zinc/17/81/67/208178167.db2.gz RYJAWTQGRZUYGU-JOCHJYFZSA-N 1 2 375.472 3.762 50 0 GHAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2cccc(Cn3cccn3)c2)CC1 ZINC000095497601 208199157 /nfs/dbraw/zinc/19/91/57/208199157.db2.gz VKPQRVOBRQVOJP-UHFFFAOYSA-N 1 2 377.492 3.729 50 0 GHAALO O=C(c1ccc2cc[nH]c2c1)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095499295 208200936 /nfs/dbraw/zinc/20/09/36/208200936.db2.gz DDEABELLSVJFNR-IBGZPJMESA-N 1 2 385.471 3.828 50 0 GHAALO COc1cccc(-c2cccc(NC(=O)C3CC[NH+](Cc4ncc[nH]4)CC3)c2)c1 ZINC000095508469 208210813 /nfs/dbraw/zinc/21/08/13/208210813.db2.gz HKHQDXYCGUYSMD-UHFFFAOYSA-N 1 2 390.487 3.936 50 0 GHAALO O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1csc(COc2ccccc2)n1 ZINC000095957587 208244048 /nfs/dbraw/zinc/24/40/48/208244048.db2.gz ULDOYWOQAKFYQR-GOSISDBHSA-N 1 2 385.533 3.699 50 0 GHAALO O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1csc(COc2ccccc2)n1 ZINC000095957587 208244054 /nfs/dbraw/zinc/24/40/54/208244054.db2.gz ULDOYWOQAKFYQR-GOSISDBHSA-N 1 2 385.533 3.699 50 0 GHAALO COc1cccc(C)c1C(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095524648 208223642 /nfs/dbraw/zinc/22/36/42/208223642.db2.gz ROTOOJGICFGQBM-MRXNPFEDSA-N 1 2 396.516 3.725 50 0 GHAALO O=C(CC[C@@H]1CCC[N@H+](Cc2ncon2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000095527116 208225074 /nfs/dbraw/zinc/22/50/74/208225074.db2.gz CNVROIWHDNBGMO-ZDUSSCGKSA-N 1 2 382.386 3.719 50 0 GHAALO O=C(CC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000095527116 208225080 /nfs/dbraw/zinc/22/50/80/208225080.db2.gz CNVROIWHDNBGMO-ZDUSSCGKSA-N 1 2 382.386 3.719 50 0 GHAALO COc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3[nH+]ccn3C(C)C)C2)cc1 ZINC000095529037 208229900 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O=C(CC[N@H+]1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1)NCc1ccccc1F ZINC000244719069 209024174 /nfs/dbraw/zinc/02/41/74/209024174.db2.gz LWJJGXOYSAAHST-LJQANCHMSA-N 1 2 384.430 3.685 50 0 GHAALO O=C(CC[N@@H+]1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1)NCc1ccccc1F ZINC000244719069 209024178 /nfs/dbraw/zinc/02/41/78/209024178.db2.gz LWJJGXOYSAAHST-LJQANCHMSA-N 1 2 384.430 3.685 50 0 GHAALO Cc1noc(CN2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000248037542 209028472 /nfs/dbraw/zinc/02/84/72/209028472.db2.gz RIXPNJHYXPLGOQ-UHFFFAOYSA-N 1 2 384.430 3.563 50 0 GHAALO Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000015859914 221349178 /nfs/dbraw/zinc/34/91/78/221349178.db2.gz QGNNQBBLBVJREI-GOSISDBHSA-N 1 2 394.471 3.960 50 0 GHAALO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000057688364 136153955 /nfs/dbraw/zinc/15/39/55/136153955.db2.gz WTBATTCAZHVUKK-AWEZNQCLSA-N 1 2 384.867 3.979 50 0 GHAALO Cc1ccc(Nc2cc(N3CCC(C(=O)NCc4ccco4)CC3)nc[nH+]2)cc1 ZINC000065237251 136160814 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Cc1cc2[nH+]c(Cc3ccccc3Cl)n(CC(=O)N3CCOCC3)c2cc1C ZINC000037398303 207543506 /nfs/dbraw/zinc/54/35/06/207543506.db2.gz DKEDAACLTABJBU-UHFFFAOYSA-N 1 2 397.906 3.756 50 0 GHAALO Cc1cc2c(cc1CN1CCc3[nH+]c[nH]c3[C@@H]1c1ccc(Cl)nc1)OCO2 ZINC000072424060 208021697 /nfs/dbraw/zinc/02/16/97/208021697.db2.gz NNHSFKBNQUJKQZ-FQEVSTJZSA-N 1 2 382.851 3.643 50 0 GHAALO CCOC(=O)C[N@H+](C)Cc1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 ZINC000091695411 208132088 /nfs/dbraw/zinc/13/20/88/208132088.db2.gz MQPZBSPJGMVTFN-UHFFFAOYSA-N 1 2 395.425 3.828 50 0 GHAALO CCOC(=O)C[N@@H+](C)Cc1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 ZINC000091695411 208132096 /nfs/dbraw/zinc/13/20/96/208132096.db2.gz MQPZBSPJGMVTFN-UHFFFAOYSA-N 1 2 395.425 3.828 50 0 GHAALO COc1ccc2nc(C3CC3)cc(C(=O)N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000089467067 208104996 /nfs/dbraw/zinc/10/49/96/208104996.db2.gz CXTZIDHRBIAIOC-UHFFFAOYSA-N 1 2 376.460 3.795 50 0 GHAALO Cc1nc2cc(C(=O)NCCc3[nH+]ccn3C(F)F)ccc2n1-c1ccccc1 ZINC000089721642 208106508 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O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000048253340 570227137 /nfs/dbraw/zinc/22/71/37/570227137.db2.gz WVSAIGWZYRQYAE-GOSISDBHSA-N 1 2 376.460 3.511 50 0 GHAALO Cc1noc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)n1 ZINC000071889284 570269804 /nfs/dbraw/zinc/26/98/04/570269804.db2.gz LKHWEHNSUSDNEN-FQEVSTJZSA-N 1 2 382.508 3.675 50 0 GHAALO O=C(NCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000023127751 570406508 /nfs/dbraw/zinc/40/65/08/570406508.db2.gz JMVQKWHMNGXGEV-GOSISDBHSA-N 1 2 379.287 3.797 50 0 GHAALO O=C(NCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000023127751 570406509 /nfs/dbraw/zinc/40/65/09/570406509.db2.gz JMVQKWHMNGXGEV-GOSISDBHSA-N 1 2 379.287 3.797 50 0 GHAALO Cc1cc(C)cc(OCCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1 ZINC000032769175 570416229 /nfs/dbraw/zinc/41/62/29/570416229.db2.gz DNHQOSQXNOIEAE-OAQYLSRUSA-N 1 2 381.451 3.851 50 0 GHAALO CC[C@@H](C)NC(=O)c1csc(C[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)n1 ZINC000035853901 570465809 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50 0 GHAALO C[N@@H+](Cc1nc(Cc2ccccc2Cl)no1)C[C@@H]1COc2ccccc2O1 ZINC000055357644 570692351 /nfs/dbraw/zinc/69/23/51/570692351.db2.gz LTFKMGOUDDKQLM-OAHLLOKOSA-N 1 2 385.851 3.586 50 0 GHAALO C[N@H+](Cc1nc(Cc2ccccc2Cl)no1)C[C@@H]1COc2ccccc2O1 ZINC000055357644 570692353 /nfs/dbraw/zinc/69/23/53/570692353.db2.gz LTFKMGOUDDKQLM-OAHLLOKOSA-N 1 2 385.851 3.586 50 0 GHAALO CCOC(=O)c1cc2cc(NC(=O)NCCNc3cccc[nH+]3)ccc2s1 ZINC000058007919 570706930 /nfs/dbraw/zinc/70/69/30/570706930.db2.gz LWWBVDBLGGFGMR-UHFFFAOYSA-N 1 2 384.461 3.707 50 0 GHAALO Cc1cc(C)cc(OCC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+](C)C)c1 ZINC000012802862 570717889 /nfs/dbraw/zinc/71/78/89/570717889.db2.gz VFKSEOYPTSOVIU-SFHVURJKSA-N 1 2 378.875 3.894 50 0 GHAALO COc1ccc(NC(=S)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(OC)c1 ZINC000013497523 570756088 /nfs/dbraw/zinc/75/60/88/570756088.db2.gz LNJLPBCENUBRKP-RMKNXTFCSA-N 1 2 397.544 3.732 50 0 GHAALO O=C(c1ccsc1)N1CC[C@@]2(C1)[NH2+]Cc1ccccc1NC2=NC1CCCC1 ZINC000065265896 570768779 /nfs/dbraw/zinc/76/87/79/570768779.db2.gz HYPHVDUNJNHIED-QFIPXVFZSA-N 1 2 394.544 3.698 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3cccc(C)c3)CC2)nc[nH+]1 ZINC000065274232 570776553 /nfs/dbraw/zinc/77/65/53/570776553.db2.gz ZBWAPJNPBDQMEA-UHFFFAOYSA-N 1 2 395.551 3.920 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3cccc(C)c3)CC2)[nH+]cn1 ZINC000065274232 570776554 /nfs/dbraw/zinc/77/65/54/570776554.db2.gz ZBWAPJNPBDQMEA-UHFFFAOYSA-N 1 2 395.551 3.920 50 0 GHAALO CN(C)c1cccc(-c2nn3c(C[N@H+](C)Cc4ccccc4)nnc3s2)c1 ZINC000067239861 570778877 /nfs/dbraw/zinc/77/88/77/570778877.db2.gz DORIKYPQVDPCPL-UHFFFAOYSA-N 1 2 378.505 3.551 50 0 GHAALO CN(C)c1cccc(-c2nn3c(C[N@@H+](C)Cc4ccccc4)nnc3s2)c1 ZINC000067239861 570778881 /nfs/dbraw/zinc/77/88/81/570778881.db2.gz DORIKYPQVDPCPL-UHFFFAOYSA-N 1 2 378.505 3.551 50 0 GHAALO CCOc1ccc(-c2c[nH]c(Cn3c4ccccc4oc3=O)[nH+]2)cc1OCC ZINC000067788350 570791333 /nfs/dbraw/zinc/79/13/33/570791333.db2.gz ZLNNFDMYZYLTSM-UHFFFAOYSA-N 1 2 379.416 3.830 50 0 GHAALO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1nc2ccccc2o1 ZINC000032751384 570791923 /nfs/dbraw/zinc/79/19/23/570791923.db2.gz IVUITJDOOZOLJM-KRWDZBQOSA-N 1 2 396.443 3.508 50 0 GHAALO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1nc2ccccc2o1 ZINC000032751384 570791930 /nfs/dbraw/zinc/79/19/30/570791930.db2.gz IVUITJDOOZOLJM-KRWDZBQOSA-N 1 2 396.443 3.508 50 0 GHAALO Cc1ccc(SCCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000024379143 570792664 /nfs/dbraw/zinc/79/26/64/570792664.db2.gz HYXITBFDELKFLE-UHFFFAOYSA-N 1 2 398.572 3.934 50 0 GHAALO O=C(Cn1cc[nH+]c1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000010809462 570792975 /nfs/dbraw/zinc/79/29/75/570792975.db2.gz BBLKCCSMABFJID-UHFFFAOYSA-N 1 2 388.349 3.793 50 0 GHAALO Cc1nn(C)c(Cl)c1CN1CCc2[nH+]c[nH]c2[C@H]1c1c(F)cccc1F ZINC000067908924 570796695 /nfs/dbraw/zinc/79/66/95/570796695.db2.gz HOZQYEVRGRCRCJ-QGZVFWFLSA-N 1 2 377.826 3.531 50 0 GHAALO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)[nH]c2=O ZINC000032777529 570799994 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CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000012521985 570828171 /nfs/dbraw/zinc/82/81/71/570828171.db2.gz QFVJDJVXIJZLSG-LJQANCHMSA-N 1 2 395.484 3.638 50 0 GHAALO Cc1ccccc1NC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000065245187 570863517 /nfs/dbraw/zinc/86/35/17/570863517.db2.gz HUNSCAZOKWDJES-QGZVFWFLSA-N 1 2 379.508 3.995 50 0 GHAALO Cc1ccccc1NC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000065245187 570863520 /nfs/dbraw/zinc/86/35/20/570863520.db2.gz HUNSCAZOKWDJES-QGZVFWFLSA-N 1 2 379.508 3.995 50 0 GHAALO Cc1ccc([C@H]2CN(C(=O)c3cc(C(C)C)[nH]n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072168012 570877021 /nfs/dbraw/zinc/87/70/21/570877021.db2.gz HQUDRNGLPRLJNS-STZQEDGTSA-N 1 2 378.520 3.544 50 0 GHAALO CC[N@@H+](Cc1cccc(C)c1)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O ZINC000032913326 570920605 /nfs/dbraw/zinc/92/06/05/570920605.db2.gz XXRJNSDZTRHCGO-DEOSSOPVSA-N 1 2 391.515 3.948 50 0 GHAALO CC[N@H+](Cc1cccc(C)c1)CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O ZINC000032913326 570920606 /nfs/dbraw/zinc/92/06/06/570920606.db2.gz XXRJNSDZTRHCGO-DEOSSOPVSA-N 1 2 391.515 3.948 50 0 GHAALO O=C(CCC1CCCCC1)NCCn1ncc2c1nc[nH+]c2N1CCCCCC1 ZINC000017149671 570928639 /nfs/dbraw/zinc/92/86/39/570928639.db2.gz GLFSDXJANUXKGL-UHFFFAOYSA-N 1 2 398.555 3.683 50 0 GHAALO CCOc1ccc(-c2noc(C[N@@H+]3CCc4c(cccc4NC(C)=O)C3)n2)cc1 ZINC000054392775 570932275 /nfs/dbraw/zinc/93/22/75/570932275.db2.gz XOCWFXQBSGADNO-UHFFFAOYSA-N 1 2 392.459 3.652 50 0 GHAALO CCOc1ccc(-c2noc(C[N@H+]3CCc4c(cccc4NC(C)=O)C3)n2)cc1 ZINC000054392775 570932278 /nfs/dbraw/zinc/93/22/78/570932278.db2.gz XOCWFXQBSGADNO-UHFFFAOYSA-N 1 2 392.459 3.652 50 0 GHAALO O=C(c1noc2c1CSc1ccccc1-2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033331833 570988015 /nfs/dbraw/zinc/98/80/15/570988015.db2.gz VOKGHOFBSSFESS-UHFFFAOYSA-N 1 2 391.496 3.905 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000010656431 570988812 /nfs/dbraw/zinc/98/88/12/570988812.db2.gz ARHOOJNBFNKDQI-GOSISDBHSA-N 1 2 375.806 3.800 50 0 GHAALO COc1ccc(C(=O)N2CCC[C@H](Cn3c(C)c[nH+]c3-c3ccncc3)C2)cc1 ZINC000581807035 837696762 /nfs/dbraw/zinc/69/67/62/837696762.db2.gz AJECMLSQAMQQEW-SFHVURJKSA-N 1 2 390.487 3.815 50 0 GHAALO COCCn1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2)c2c1CCOC2 ZINC000675011437 840875141 /nfs/dbraw/zinc/87/51/41/840875141.db2.gz PTAGODIFLGLUQG-FQEVSTJZSA-N 1 2 389.927 3.983 50 0 GHAALO COCCn1nc([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2)c2c1CCOC2 ZINC000675011437 840875153 /nfs/dbraw/zinc/87/51/53/840875153.db2.gz PTAGODIFLGLUQG-FQEVSTJZSA-N 1 2 389.927 3.983 50 0 GHAALO O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@H]1CCCN1c1cccc[nH+]1 ZINC000225630033 861222431 /nfs/dbraw/zinc/22/24/31/861222431.db2.gz KTPFGFAAQKWQLZ-KRWDZBQOSA-N 1 2 377.410 3.818 50 0 GHAALO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)C1CCCCC1 ZINC000056945517 861847024 /nfs/dbraw/zinc/84/70/24/861847024.db2.gz PLELKXNURJWMQL-OAQYLSRUSA-N 1 2 399.510 3.979 50 0 GHAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)NCc1ccc(Cl)cc1 ZINC000057697286 862219515 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Cc1ccc(-c2noc([C@H](C)N3CC[NH+](Cc4ccc(C)nc4C)CC3)n2)cc1 ZINC000186668060 858910489 /nfs/dbraw/zinc/91/04/89/858910489.db2.gz UPWRCLYWPTYIEQ-IBGZPJMESA-N 1 2 391.519 3.936 50 0 GHAALO CCN1CC[NH+](Cc2c(C)[nH]c3ccc(OCc4ccccc4)cc3c2=O)CC1 ZINC000019793350 860369434 /nfs/dbraw/zinc/36/94/34/860369434.db2.gz FNDMVQMGMCSZMR-UHFFFAOYSA-N 1 2 391.515 3.965 50 0 GHAALO CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2csc(C(C)C)n2)C1 ZINC000096000033 860742546 /nfs/dbraw/zinc/74/25/46/860742546.db2.gz FORUHNGJXQRYCH-ZDUSSCGKSA-N 1 2 376.530 3.511 50 0 GHAALO CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2csc(C(C)C)n2)C1 ZINC000096000033 860742551 /nfs/dbraw/zinc/74/25/51/860742551.db2.gz FORUHNGJXQRYCH-ZDUSSCGKSA-N 1 2 376.530 3.511 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCN(C(=O)CCc2c(C)nn(C)c2C)C1 ZINC000581808029 870037979 /nfs/dbraw/zinc/03/79/79/870037979.db2.gz OWMIOPABCKLDKQ-FQEVSTJZSA-N 1 2 391.519 3.615 50 0 GHAALO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000180813331 879375198 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0 GHAALO CCOC(=O)c1c2cc(OC)ccc2oc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000000711955 206319521 /nfs/dbraw/zinc/31/95/21/206319521.db2.gz MIEMXSWIWBALIF-UHFFFAOYSA-N 1 2 394.471 3.940 50 0 GHAALO Clc1ccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000000834880 206327041 /nfs/dbraw/zinc/32/70/41/206327041.db2.gz IXIPARZENLQVGM-UHFFFAOYSA-N 1 2 390.878 3.796 50 0 GHAALO CC(=O)c1cc2c(cc1NC(=O)C[NH+]1CCC(Cc3ccccc3)CC1)OCO2 ZINC000002344838 206410881 /nfs/dbraw/zinc/41/08/81/206410881.db2.gz KMNOFSOLNBJELW-UHFFFAOYSA-N 1 2 394.471 3.511 50 0 GHAALO CC(=O)c1sc(=Nc2cc(C)cc(C)c2)n(CCC[NH+]2CCOCC2)c1C ZINC000005299021 206604473 /nfs/dbraw/zinc/60/44/73/206604473.db2.gz YEWFACXNSLKHPW-DQRAZIAOSA-N 1 2 387.549 3.632 50 0 GHAALO Cc1[nH]c2ccc(C(=O)N[C@H](C[NH+]3CCOCC3)c3ccc(C)cc3)cc2c1C ZINC000014171466 207012320 /nfs/dbraw/zinc/01/23/20/207012320.db2.gz ZCXFKZLYEYQMGB-HSZRJFAPSA-N 1 2 391.515 3.896 50 0 GHAALO CCOc1ccc(Nc2c(C(=O)N3CCOCC3)c[nH+]c3ccccc32)cc1 ZINC000017307998 207088746 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50 0 GHAALO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC000020419395 207191045 /nfs/dbraw/zinc/19/10/45/207191045.db2.gz GPWQMLHPZKNNRI-OAHLLOKOSA-N 1 2 381.451 3.816 50 0 GHAALO Cc1ccc(C2(c3noc(C[N@@H+](C[C@@H]4CCC(=O)N4)C(C)C)n3)CCCC2)cc1 ZINC000020451543 207192511 /nfs/dbraw/zinc/19/25/11/207192511.db2.gz GQLJINFHSKDZIO-IBGZPJMESA-N 1 2 396.535 3.727 50 0 GHAALO Cc1ccc(C2(c3noc(C[N@H+](C[C@@H]4CCC(=O)N4)C(C)C)n3)CCCC2)cc1 ZINC000020451543 207192516 /nfs/dbraw/zinc/19/25/16/207192516.db2.gz GQLJINFHSKDZIO-IBGZPJMESA-N 1 2 396.535 3.727 50 0 GHAALO Cc1nn2c(nc(C(C)(C)C)cc2NCC[NH+]2CCOCC2)c1-c1ccccc1 ZINC000020479947 207195885 /nfs/dbraw/zinc/19/58/85/207195885.db2.gz ZPLOAKIXKLXCCF-UHFFFAOYSA-N 1 2 393.535 3.746 50 0 GHAALO OCC[C@H]1C[N@H+](Cc2ccccc2Cl)CCN1Cc1ccc(F)c(F)c1 ZINC000020783887 207215751 /nfs/dbraw/zinc/21/57/51/207215751.db2.gz OGLMZDAFJFIBFD-KRWDZBQOSA-N 1 2 380.866 3.687 50 0 GHAALO OCC[C@H]1C[N@@H+](Cc2ccccc2Cl)CCN1Cc1ccc(F)c(F)c1 ZINC000020783887 207215755 /nfs/dbraw/zinc/21/57/55/207215755.db2.gz OGLMZDAFJFIBFD-KRWDZBQOSA-N 1 2 380.866 3.687 50 0 GHAALO OCC[C@H]1CN(Cc2ccccc2Cl)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000020783887 207215758 /nfs/dbraw/zinc/21/57/58/207215758.db2.gz OGLMZDAFJFIBFD-KRWDZBQOSA-N 1 2 380.866 3.687 50 0 GHAALO OCC[C@H]1CN(Cc2ccccc2Cl)CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000020783887 207215762 /nfs/dbraw/zinc/21/57/62/207215762.db2.gz OGLMZDAFJFIBFD-KRWDZBQOSA-N 1 2 380.866 3.687 50 0 GHAALO CC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccs2)CC1 ZINC000020942304 207221500 /nfs/dbraw/zinc/22/15/00/207221500.db2.gz DPVAQGFIENGZEG-UHFFFAOYSA-N 1 2 383.473 3.524 50 0 GHAALO Cc1c(Cl)cccc1NC(=O)N1CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000021648931 207233990 /nfs/dbraw/zinc/23/39/90/207233990.db2.gz ZUDIAUHFFOBSPV-UHFFFAOYSA-N 1 2 395.894 3.941 50 0 GHAALO O=C(NC1CCCCC1)C1CC[NH+](Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000021724193 207237111 /nfs/dbraw/zinc/23/71/11/207237111.db2.gz ZKDHLSZHSQAAKR-UHFFFAOYSA-N 1 2 386.471 3.537 50 0 GHAALO Cc1oc(-c2cc(F)ccc2F)nc1CN1CC[NH+](Cc2ncccc2C)CC1 ZINC000022914386 207264067 /nfs/dbraw/zinc/26/40/67/207264067.db2.gz HVCDZEDCXVLGJP-UHFFFAOYSA-N 1 2 398.457 3.949 50 0 GHAALO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1c(Cl)cccc1Cl ZINC000022805308 207261254 /nfs/dbraw/zinc/26/12/54/207261254.db2.gz DQURZVCIEAKMER-UHFFFAOYSA-N 1 2 384.332 3.811 50 0 GHAALO Cc1cc(C)c([C@@H](C)NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)cc1C ZINC000023257907 207271893 /nfs/dbraw/zinc/27/18/93/207271893.db2.gz BFCWQSBLSOHROP-LJQANCHMSA-N 1 2 385.577 3.668 50 0 GHAALO COc1ncc(C[N@@H+]2CCC[C@@H]2c2ccc(C(=O)Nc3cccnc3)s2)cn1 ZINC000023369280 207274855 /nfs/dbraw/zinc/27/48/55/207274855.db2.gz HSAVMRBWILUAOM-MRXNPFEDSA-N 1 2 395.488 3.531 50 0 GHAALO COc1ncc(C[N@H+]2CCC[C@@H]2c2ccc(C(=O)Nc3cccnc3)s2)cn1 ZINC000023369280 207274859 /nfs/dbraw/zinc/27/48/59/207274859.db2.gz HSAVMRBWILUAOM-MRXNPFEDSA-N 1 2 395.488 3.531 50 0 GHAALO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)N3CCC(F)CC3)s2)[nH]n1 ZINC000023379943 207277066 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GHAALO Cn1cc[nH+]c1[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 ZINC000043272659 570298442 /nfs/dbraw/zinc/29/84/42/570298442.db2.gz BTUZQSSMDDVLEN-MRXNPFEDSA-N 1 2 377.416 3.618 50 0 GHAALO CNC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2cncn2Cc2ccccc2)s1 ZINC000023214166 570349895 /nfs/dbraw/zinc/34/98/95/570349895.db2.gz KPHUPBPNBRWOMO-GOSISDBHSA-N 1 2 380.517 3.690 50 0 GHAALO CNC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2cncn2Cc2ccccc2)s1 ZINC000023214166 570349896 /nfs/dbraw/zinc/34/98/96/570349896.db2.gz KPHUPBPNBRWOMO-GOSISDBHSA-N 1 2 380.517 3.690 50 0 GHAALO CCCNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2F)CC1 ZINC000004911519 570363467 /nfs/dbraw/zinc/36/34/67/570363467.db2.gz YGBZTWWKJLZOQZ-UHFFFAOYSA-N 1 2 394.494 3.966 50 0 GHAALO O=C(COc1ccc2c(c1)OCO2)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575621185 570370766 /nfs/dbraw/zinc/37/07/66/570370766.db2.gz VYCKEGVIEGTQKS-UHFFFAOYSA-N 1 2 391.427 3.633 50 0 GHAALO Cc1cc(C)c(N2CC[C@@H](Nc3ccccc3C[NH+]3CCOCC3)C2=O)c(C)c1 ZINC000190809449 570373051 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380.536 3.831 50 0 GHAALO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2cc(CC(C)C)[nH]n2)CC1 ZINC000012433683 570661043 /nfs/dbraw/zinc/66/10/43/570661043.db2.gz RFHLAJXUUMMAMH-UHFFFAOYSA-N 1 2 386.544 3.626 50 0 GHAALO CCn1ncc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cscn3)cc2)c1C ZINC000012587667 570685456 /nfs/dbraw/zinc/68/54/56/570685456.db2.gz SCPRUJMRSRJZCJ-HXUWFJFHSA-N 1 2 395.532 3.938 50 0 GHAALO CCn1ncc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cscn3)cc2)c1C ZINC000012587667 570685460 /nfs/dbraw/zinc/68/54/60/570685460.db2.gz SCPRUJMRSRJZCJ-HXUWFJFHSA-N 1 2 395.532 3.938 50 0 GHAALO COc1ccc(NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1OC ZINC000055538348 570696059 /nfs/dbraw/zinc/69/60/59/570696059.db2.gz YLUYUZLWJLTFRD-RMKNXTFCSA-N 1 2 381.476 3.567 50 0 GHAALO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(Cl)c1 ZINC000012973683 570734013 /nfs/dbraw/zinc/73/40/13/570734013.db2.gz WLSGADRWOCHTMU-UHFFFAOYSA-N 1 2 391.943 3.702 50 0 GHAALO c1cc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccncc3)no2)n(-c2nccs2)c1 ZINC000065375440 570762543 /nfs/dbraw/zinc/76/25/43/570762543.db2.gz MPDDNBGZOBSSDE-INIZCTEOSA-N 1 2 378.461 3.716 50 0 GHAALO c1cc(C[N@H+]2CCC[C@H]2c2nc(-c3ccncc3)no2)n(-c2nccs2)c1 ZINC000065375440 570762547 /nfs/dbraw/zinc/76/25/47/570762547.db2.gz MPDDNBGZOBSSDE-INIZCTEOSA-N 1 2 378.461 3.716 50 0 GHAALO CCc1c[nH+]c(C)nc1N1CCOc2c(O)cc(-c3nc(C)cnc3C)cc2C1 ZINC000067822074 570793037 /nfs/dbraw/zinc/79/30/37/570793037.db2.gz ZOVVNPFIXRNEDY-UHFFFAOYSA-N 1 2 391.475 3.526 50 0 GHAALO CSc1ccc(CNC(=O)[C@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000033071887 570802870 /nfs/dbraw/zinc/80/28/70/570802870.db2.gz NLKNHJBJQLJKCY-INIZCTEOSA-N 1 2 380.517 3.818 50 0 GHAALO CCc1ccc(CNC(=O)[C@@H]2CCCN(c3[nH]c4ccc(C)cc4[nH+]3)C2)cc1 ZINC000033072233 570803586 /nfs/dbraw/zinc/80/35/86/570803586.db2.gz LKIIYLIWUXHEAI-LJQANCHMSA-N 1 2 376.504 3.967 50 0 GHAALO CCc1ccc(CNC(=O)[C@@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)cc1 ZINC000033072233 570803589 /nfs/dbraw/zinc/80/35/89/570803589.db2.gz LKIIYLIWUXHEAI-LJQANCHMSA-N 1 2 376.504 3.967 50 0 GHAALO CC(C)OC(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000036855704 570820373 /nfs/dbraw/zinc/82/03/73/570820373.db2.gz KDOIOQBDQBYZHD-GFCCVEGCSA-N 1 2 382.917 3.587 50 0 GHAALO COc1ccc([C@@H](NC(=O)NCCc2ccc(Cl)cc2)c2[nH+]ccn2C)cc1 ZINC000032802587 570821249 /nfs/dbraw/zinc/82/12/49/570821249.db2.gz JOEDPNJFUINEMA-LJQANCHMSA-N 1 2 398.894 3.713 50 0 GHAALO Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000012506775 570822345 /nfs/dbraw/zinc/82/23/45/570822345.db2.gz KELYGALCHBIJHW-QGZVFWFLSA-N 1 2 389.484 3.950 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccccc1F ZINC000012507766 570823757 /nfs/dbraw/zinc/82/37/57/570823757.db2.gz DKBRKAKKWNAOIN-SFHVURJKSA-N 1 2 375.806 3.800 50 0 GHAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000032860038 570860229 /nfs/dbraw/zinc/86/02/29/570860229.db2.gz YLXLDEJNFWLESQ-UHFFFAOYSA-N 1 2 397.482 3.925 50 0 GHAALO Cc1[nH]c2c(c1C(=O)N[C@@H]1CCC[N@H+](Cc3ccc(Cl)cc3)C1)C(=O)CCC2 ZINC000072145027 570871090 /nfs/dbraw/zinc/87/10/90/570871090.db2.gz RAUMOWBMWHRDHL-QGZVFWFLSA-N 1 2 399.922 3.890 50 0 GHAALO Cc1[nH]c2c(c1C(=O)N[C@@H]1CCC[N@@H+](Cc3ccc(Cl)cc3)C1)C(=O)CCC2 ZINC000072145027 570871092 /nfs/dbraw/zinc/87/10/92/570871092.db2.gz RAUMOWBMWHRDHL-QGZVFWFLSA-N 1 2 399.922 3.890 50 0 GHAALO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000072168893 570877103 /nfs/dbraw/zinc/87/71/03/570877103.db2.gz KQHXFNCEQZIKKD-IBGZPJMESA-N 1 2 378.476 3.511 50 0 GHAALO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000072168893 570877104 /nfs/dbraw/zinc/87/71/04/570877104.db2.gz KQHXFNCEQZIKKD-IBGZPJMESA-N 1 2 378.476 3.511 50 0 GHAALO O=C(C[NH+]1CCN(c2ccccc2O)CC1)N(Cc1ccco1)C1=CCCCC1 ZINC000012595615 570885067 /nfs/dbraw/zinc/88/50/67/570885067.db2.gz HCHUMRKPQCEGRJ-UHFFFAOYSA-N 1 2 395.503 3.594 50 0 GHAALO COc1ccccc1-c1noc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)n1 ZINC000032888381 570885461 /nfs/dbraw/zinc/88/54/61/570885461.db2.gz CQXPMIOILJDTJG-UHFFFAOYSA-N 1 2 377.444 3.840 50 0 GHAALO Cc1noc(CSc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccccc2)n1 ZINC000012606459 570889195 /nfs/dbraw/zinc/88/91/95/570889195.db2.gz DBXUFNHRTVOHAR-AWEZNQCLSA-N 1 2 384.509 3.798 50 0 GHAALO O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000042497845 570891397 /nfs/dbraw/zinc/89/13/97/570891397.db2.gz SNEATDRDXLAOCL-ZZXKWVIFSA-N 1 2 392.846 3.569 50 0 GHAALO CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000013323449 570895208 /nfs/dbraw/zinc/89/52/08/570895208.db2.gz LFEXKAZBKSPLLE-VQTJNVASSA-N 1 2 375.532 3.669 50 0 GHAALO COc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2cccc(F)c2)C3)c(OC)c1 ZINC000015778949 570904264 /nfs/dbraw/zinc/90/42/64/570904264.db2.gz DTABMGDBIGQLSX-UHFFFAOYSA-N 1 2 394.450 3.935 50 0 GHAALO COc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2cccc(F)c2)C3)c(OC)c1 ZINC000015778949 570904268 /nfs/dbraw/zinc/90/42/68/570904268.db2.gz DTABMGDBIGQLSX-UHFFFAOYSA-N 1 2 394.450 3.935 50 0 GHAALO Cc1ccc([C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)[NH+]2CCOCC2)cc1 ZINC000023105769 570904868 /nfs/dbraw/zinc/90/48/68/570904868.db2.gz JJUPYOCWEHDRJU-LJQANCHMSA-N 1 2 392.421 3.817 50 0 GHAALO C[C@@H](NC(=O)C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000105722239 570931642 /nfs/dbraw/zinc/93/16/42/570931642.db2.gz IQZMGIOLJVXYTE-UZUQRXQVSA-N 1 2 377.463 3.910 50 0 GHAALO C[C@@H](NC(=O)C[N@H+]1CCn2cccc2[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000105722239 570931645 /nfs/dbraw/zinc/93/16/45/570931645.db2.gz IQZMGIOLJVXYTE-UZUQRXQVSA-N 1 2 377.463 3.910 50 0 GHAALO O=C(NCc1cc[nH+]c(N2CCSCC2)c1)Nc1ccc(F)c(Cl)c1 ZINC000033280296 570954442 /nfs/dbraw/zinc/95/44/42/570954442.db2.gz WQTKSQRXYQMTOP-UHFFFAOYSA-N 1 2 380.876 3.749 50 0 GHAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cc(F)cc(F)c1 ZINC000012771421 571025662 /nfs/dbraw/zinc/02/56/62/571025662.db2.gz MRXGVSSVUROQLT-GOSISDBHSA-N 1 2 388.414 3.902 50 0 GHAALO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cc(F)cc(F)c1 ZINC000012771421 571025664 /nfs/dbraw/zinc/02/56/64/571025664.db2.gz MRXGVSSVUROQLT-GOSISDBHSA-N 1 2 388.414 3.902 50 0 GHAALO Cc1c[nH+]c(C2CN(C(=O)Cc3c(F)cccc3Cl)C2)n1Cc1ccncc1 ZINC000257177849 838736463 /nfs/dbraw/zinc/73/64/63/838736463.db2.gz YCXKIHXPZUKQAK-UHFFFAOYSA-N 1 2 398.869 3.596 50 0 GHAALO O=C(NCCCSCc1ccccc1F)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000584893711 841186774 /nfs/dbraw/zinc/18/67/74/841186774.db2.gz MTJNRLQZDFGOHQ-OAHLLOKOSA-N 1 2 376.501 3.761 50 0 GHAALO Cc1noc(C2CC[NH+](CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC2)n1 ZINC000053619517 841903703 /nfs/dbraw/zinc/90/37/03/841903703.db2.gz RAPFPYRINQLUMX-QFIPXVFZSA-N 1 2 396.535 3.995 50 0 GHAALO CCc1nsc(N(CCn2cc[nH+]c2)Cc2ccccc2Br)n1 ZINC000888095539 842483230 /nfs/dbraw/zinc/48/32/30/842483230.db2.gz PRRTYNFWUYAMEK-UHFFFAOYSA-N 1 2 392.326 3.766 50 0 GHAALO C[C@@H](NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000055060348 855311140 /nfs/dbraw/zinc/31/11/40/855311140.db2.gz VSEDWKITQRKVEV-MRXNPFEDSA-N 1 2 391.437 3.705 50 0 GHAALO O=C(C[N@@H+]1CCc2sccc2C1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000070022200 857176827 /nfs/dbraw/zinc/17/68/27/857176827.db2.gz VKPHEJNHPOUHIB-INIZCTEOSA-N 1 2 381.501 3.654 50 0 GHAALO O=C(C[N@H+]1CCc2sccc2C1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000070022200 857176829 /nfs/dbraw/zinc/17/68/29/857176829.db2.gz VKPHEJNHPOUHIB-INIZCTEOSA-N 1 2 381.501 3.654 50 0 GHAALO O=C(C[N@@H+]1CCc2sccc2C1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000070448166 857216800 /nfs/dbraw/zinc/21/68/00/857216800.db2.gz CTQDYCYBTUSWJB-QFIPXVFZSA-N 1 2 377.513 3.540 50 0 GHAALO O=C(C[N@H+]1CCc2sccc2C1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000070448166 857216803 /nfs/dbraw/zinc/21/68/03/857216803.db2.gz CTQDYCYBTUSWJB-QFIPXVFZSA-N 1 2 377.513 3.540 50 0 GHAALO C[C@@H](NC(=O)CSc1ncnc2sccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009753288 857341623 /nfs/dbraw/zinc/34/16/23/857341623.db2.gz KKVKCKQWVTXQAQ-CYBMUJFWSA-N 1 2 395.513 3.847 50 0 GHAALO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008073221 863048143 /nfs/dbraw/zinc/04/81/43/863048143.db2.gz FULHLAPHNOJFIJ-LJQANCHMSA-N 1 2 396.487 3.941 50 0 GHAALO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008073221 863048157 /nfs/dbraw/zinc/04/81/57/863048157.db2.gz FULHLAPHNOJFIJ-LJQANCHMSA-N 1 2 396.487 3.941 50 0 GHAALO O=C(c1ccc2c(c1)CCOC2)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000614360027 859951260 /nfs/dbraw/zinc/95/12/60/859951260.db2.gz FXYORLZCOWLOMX-UHFFFAOYSA-N 1 2 395.890 3.952 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1C[C@H]1CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000575559418 866209239 /nfs/dbraw/zinc/20/92/39/866209239.db2.gz OQHCVBHUAXPZSY-INIZCTEOSA-N 1 2 375.476 3.621 50 0 GHAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000007854754 878469748 /nfs/dbraw/zinc/46/97/48/878469748.db2.gz YDKTVWIUROOGGG-HXUWFJFHSA-N 1 2 377.492 3.603 50 0 GHAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000007854754 878469760 /nfs/dbraw/zinc/46/97/60/878469760.db2.gz YDKTVWIUROOGGG-HXUWFJFHSA-N 1 2 377.492 3.603 50 0 GHAALO Cc1ccc(/C=C/C(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)o1 ZINC000003649859 901213325 /nfs/dbraw/zinc/21/33/25/901213325.db2.gz ISADDEAJROZCIA-SOFGYWHQSA-N 1 2 377.444 3.933 50 0 GHAALO Cc1ccc([C@H]([NH2+]Cc2cccc3c2OC(F)(F)O3)[C@H](C)S(C)(=O)=O)cc1 ZINC000414447695 915348853 /nfs/dbraw/zinc/34/88/53/915348853.db2.gz PVZSQXIVFXHSLA-SUMWQHHRSA-N 1 2 397.443 3.581 50 0 GHAALO Cc1nc(N2CCN(C(=O)C3CCCC3)CC2)c(Cc2ccccc2)c(C)[nH+]1 ZINC000000694106 206317562 /nfs/dbraw/zinc/31/75/62/206317562.db2.gz VKQSEZWVTUWDGB-UHFFFAOYSA-N 1 2 378.520 3.523 50 0 GHAALO CCN(C(=O)C[N@H+](C)CCOc1ccc(F)cc1)c1nc2ccccc2s1 ZINC000015101633 207047587 /nfs/dbraw/zinc/04/75/87/207047587.db2.gz JQQKBJWLLJBAES-UHFFFAOYSA-N 1 2 387.480 3.799 50 0 GHAALO CCN(C(=O)C[N@@H+](C)CCOc1ccc(F)cc1)c1nc2ccccc2s1 ZINC000015101633 207047590 /nfs/dbraw/zinc/04/75/90/207047590.db2.gz JQQKBJWLLJBAES-UHFFFAOYSA-N 1 2 387.480 3.799 50 0 GHAALO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000015934818 207067251 /nfs/dbraw/zinc/06/72/51/207067251.db2.gz CCTTVENJXKLYGM-UZYOAWRESA-N 1 2 377.366 3.563 50 0 GHAALO COc1cccc(C[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)c1 ZINC000015779168 207060678 /nfs/dbraw/zinc/06/06/78/207060678.db2.gz ZZVIRYYCFZMTKL-UHFFFAOYSA-N 1 2 390.443 3.516 50 0 GHAALO COc1cccc(C[N@H+]2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)c1 ZINC000015779168 207060681 /nfs/dbraw/zinc/06/06/81/207060681.db2.gz ZZVIRYYCFZMTKL-UHFFFAOYSA-N 1 2 390.443 3.516 50 0 GHAALO Fc1ccccc1-c1noc2c1C[N@H+](Cc1cccn1-c1ncccn1)CC2 ZINC000019228455 207109532 /nfs/dbraw/zinc/10/95/32/207109532.db2.gz VTEXMJMZEWNLOV-UHFFFAOYSA-N 1 2 375.407 3.620 50 0 GHAALO Fc1ccccc1-c1noc2c1C[N@@H+](Cc1cccn1-c1ncccn1)CC2 ZINC000019228455 207109538 /nfs/dbraw/zinc/10/95/38/207109538.db2.gz VTEXMJMZEWNLOV-UHFFFAOYSA-N 1 2 375.407 3.620 50 0 GHAALO COc1cccc(C(=O)N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000019564597 207135305 /nfs/dbraw/zinc/13/53/05/207135305.db2.gz INMBTIGPGJYALK-UHFFFAOYSA-N 1 2 378.394 3.672 50 0 GHAALO C[NH+]1CCN(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1 ZINC000019790516 207160452 /nfs/dbraw/zinc/16/04/52/207160452.db2.gz MGPXTVOYQXAPCH-UHFFFAOYSA-N 1 2 393.512 3.875 50 0 GHAALO C[N@H+](CCc1nc2cc(Cl)ccc2[nH]1)Cc1nc(Cc2ccccc2)no1 ZINC000019789825 207160896 /nfs/dbraw/zinc/16/08/96/207160896.db2.gz SNLKTJNZBUELPF-UHFFFAOYSA-N 1 2 381.867 3.865 50 0 GHAALO C[N@@H+](CCc1nc2cc(Cl)ccc2[nH]1)Cc1nc(Cc2ccccc2)no1 ZINC000019789825 207160899 /nfs/dbraw/zinc/16/08/99/207160899.db2.gz SNLKTJNZBUELPF-UHFFFAOYSA-N 1 2 381.867 3.865 50 0 GHAALO Cc1ccc(OC[C@H](O)Cn2c3ccccc3n(Cc3ccccc3)c2=[NH2+])cc1 ZINC000020065929 207176098 /nfs/dbraw/zinc/17/60/98/207176098.db2.gz IVYCKUSKZRQYJC-HXUWFJFHSA-N 1 2 387.483 3.719 50 0 GHAALO Cc1ccc(C2(c3noc(C[N@@H+](C[C@H]4CCC(=O)N4)C(C)C)n3)CCCC2)cc1 ZINC000020451545 207192630 /nfs/dbraw/zinc/19/26/30/207192630.db2.gz GQLJINFHSKDZIO-LJQANCHMSA-N 1 2 396.535 3.727 50 0 GHAALO Cc1ccc(C2(c3noc(C[N@H+](C[C@H]4CCC(=O)N4)C(C)C)n3)CCCC2)cc1 ZINC000020451545 207192631 /nfs/dbraw/zinc/19/26/31/207192631.db2.gz GQLJINFHSKDZIO-LJQANCHMSA-N 1 2 396.535 3.727 50 0 GHAALO C[C@@H]1C[NH+](CCOc2ccc3c(c2)occ(-c2ccccc2)c3=O)C[C@@H](C)O1 ZINC000020589874 207205125 /nfs/dbraw/zinc/20/51/25/207205125.db2.gz SEGDXBOJTVZVCX-IAGOWNOFSA-N 1 2 379.456 3.948 50 0 biogenic GHAALO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000020897288 207218027 /nfs/dbraw/zinc/21/80/27/207218027.db2.gz GQVXPAQRHWYTCF-UHFFFAOYSA-N 1 2 385.511 3.600 50 0 GHAALO CCOc1ccc(C[N@@H+]2CCN(Cc3cc4ccccc4o3)C[C@@H]2CCO)cc1 ZINC000020877632 207218315 /nfs/dbraw/zinc/21/83/15/207218315.db2.gz QVJPVVACHWWQGB-NRFANRHFSA-N 1 2 394.515 3.900 50 0 GHAALO CCOc1ccc(C[N@H+]2CCN(Cc3cc4ccccc4o3)C[C@@H]2CCO)cc1 ZINC000020877632 207218319 /nfs/dbraw/zinc/21/83/19/207218319.db2.gz QVJPVVACHWWQGB-NRFANRHFSA-N 1 2 394.515 3.900 50 0 GHAALO O=C(c1ccc2nc(C(F)(F)F)sc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000020715448 207211109 /nfs/dbraw/zinc/21/11/09/207211109.db2.gz PPOOBXBFZCXOOZ-UHFFFAOYSA-N 1 2 392.406 3.673 50 0 GHAALO Clc1cccc(-c2noc3ncnc(N4CCN(c5cccc[nH+]5)CC4)c23)c1 ZINC000021714581 207235766 /nfs/dbraw/zinc/23/57/66/207235766.db2.gz YPOJUKKXKLAILW-UHFFFAOYSA-N 1 2 392.850 3.660 50 0 GHAALO CC[N@H+](CCCN1C(=O)CC[C@]1(C)C(=O)NCCC(C)C)c1cccc(C)c1 ZINC000021776438 207236984 /nfs/dbraw/zinc/23/69/84/207236984.db2.gz ZECOFVSNAYJBQF-HSZRJFAPSA-N 1 2 387.568 3.755 50 0 GHAALO CC[N@@H+](CCCN1C(=O)CC[C@]1(C)C(=O)NCCC(C)C)c1cccc(C)c1 ZINC000021776438 207236987 /nfs/dbraw/zinc/23/69/87/207236987.db2.gz ZECOFVSNAYJBQF-HSZRJFAPSA-N 1 2 387.568 3.755 50 0 GHAALO O=C(c1ccccc1)c1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022078986 207245778 /nfs/dbraw/zinc/24/57/78/207245778.db2.gz GNGJQVWXMGXAOS-UHFFFAOYSA-N 1 2 384.479 3.876 50 0 GHAALO CCOc1ccc2nc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)sc2c1 ZINC000022227837 207249330 /nfs/dbraw/zinc/24/93/30/207249330.db2.gz QIFJXPDZPFLSJW-UHFFFAOYSA-N 1 2 397.500 3.780 50 0 GHAALO Cc1oc(-c2cc(F)ccc2F)nc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000022851392 207263295 /nfs/dbraw/zinc/26/32/95/207263295.db2.gz FFLKVEHNOOKMIH-UHFFFAOYSA-N 1 2 384.430 3.641 50 0 GHAALO CC(C)(C)C1CCC(NC(=O)CN2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000022751834 207259252 /nfs/dbraw/zinc/25/92/52/207259252.db2.gz FAWACNPBYYLUMM-UHFFFAOYSA-N 1 2 389.559 3.664 50 0 GHAALO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1ccccc1SC(F)F ZINC000023264509 207271575 /nfs/dbraw/zinc/27/15/75/207271575.db2.gz IEZWMDHGYULDBE-UHFFFAOYSA-N 1 2 397.516 3.819 50 0 GHAALO Cc1nc(-c2cccc(C[N@H+]3CCN(c4ccccc4)C[C@@H]3C)c2)[nH]c(=O)c1F ZINC000023339970 207275461 /nfs/dbraw/zinc/27/54/61/207275461.db2.gz GKFITKITVXOBBI-INIZCTEOSA-N 1 2 392.478 3.595 50 0 GHAALO Cc1nc(-c2cccc(C[N@@H+]3CCN(c4ccccc4)C[C@@H]3C)c2)[nH]c(=O)c1F ZINC000023339970 207275464 /nfs/dbraw/zinc/27/54/64/207275464.db2.gz GKFITKITVXOBBI-INIZCTEOSA-N 1 2 392.478 3.595 50 0 GHAALO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2c(c1)OCCO2 ZINC000023829094 207283224 /nfs/dbraw/zinc/28/32/24/207283224.db2.gz SWIBWOFPOJLEJS-UHFFFAOYSA-N 1 2 381.259 3.835 50 0 GHAALO C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2c(c1)OCCO2 ZINC000023829094 207283228 /nfs/dbraw/zinc/28/32/28/207283228.db2.gz SWIBWOFPOJLEJS-UHFFFAOYSA-N 1 2 381.259 3.835 50 0 GHAALO CC[C@H]([NH2+]Cc1nc(=O)c2sccc2[nH]1)c1ccc(Br)cc1 ZINC000023996004 207286422 /nfs/dbraw/zinc/28/64/22/207286422.db2.gz ZYPLASARCYKJGP-LBPRGKRZSA-N 1 2 378.295 3.988 50 0 GHAALO Cc1cc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c(C)n1Cc1ccco1 ZINC000030298300 207370174 /nfs/dbraw/zinc/37/01/74/207370174.db2.gz UFRBBOVMAJABDU-UHFFFAOYSA-N 1 2 378.476 3.671 50 0 GHAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1csc(-c2ccsc2)n1 ZINC000030540473 207371895 /nfs/dbraw/zinc/37/18/95/207371895.db2.gz RETKXRPZDYWHJM-KRWDZBQOSA-N 1 2 399.541 3.675 50 0 GHAALO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000030514793 207372425 /nfs/dbraw/zinc/37/24/25/207372425.db2.gz ADSZOPWJIBTIIU-UHFFFAOYSA-N 1 2 388.515 3.954 50 0 GHAALO O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030941626 207377139 /nfs/dbraw/zinc/37/71/39/207377139.db2.gz YPQFRNBZYZHKCV-UHFFFAOYSA-N 1 2 388.471 3.810 50 0 GHAALO Cc1cc(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)nc(-c2ccccc2)[nH+]1 ZINC000067896225 207915968 /nfs/dbraw/zinc/91/59/68/207915968.db2.gz SMUKGCZGWGMDMH-RBUKOAKNSA-N 1 2 389.455 3.536 50 0 GHAALO COC(=O)N1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000089913784 208111241 /nfs/dbraw/zinc/11/12/41/208111241.db2.gz RSVINHXHAGMIQC-LLVKDONJSA-N 1 2 399.278 3.879 50 0 GHAALO COC(=O)N1CCC[N@H+]([C@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000089913784 208111243 /nfs/dbraw/zinc/11/12/43/208111243.db2.gz RSVINHXHAGMIQC-LLVKDONJSA-N 1 2 399.278 3.879 50 0 GHAALO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[C@H]2CCOc3ccccc32)CC1 ZINC000095406664 208178321 /nfs/dbraw/zinc/17/83/21/208178321.db2.gz OWEMCGSLUNAGMO-PKOBYXMFSA-N 1 2 382.479 3.987 50 0 GHAALO Cc1c(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000095458552 208187186 /nfs/dbraw/zinc/18/71/86/208187186.db2.gz URFAQEVVFOXSCV-INIZCTEOSA-N 1 2 389.381 3.900 50 0 GHAALO Cn1c[nH+]cc1Cc1nc2ccc(-c3cccc(C(F)(F)F)c3)cc2c(=O)[nH]1 ZINC000095466454 208190523 /nfs/dbraw/zinc/19/05/23/208190523.db2.gz VGWLVQPXNKMCKZ-UHFFFAOYSA-N 1 2 384.361 3.933 50 0 GHAALO Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc3c(c2)[nH+]c(C(C)C)n3C)n[nH]1 ZINC000095475545 208192772 /nfs/dbraw/zinc/19/27/72/208192772.db2.gz OWZYGQSHINERNJ-UHFFFAOYSA-N 1 2 391.479 3.689 50 0 GHAALO CC(C)c1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)no1 ZINC000095511912 208214041 /nfs/dbraw/zinc/21/40/41/208214041.db2.gz FNSJBESLVFUKHR-AWEZNQCLSA-N 1 2 385.493 3.519 50 0 GHAALO CN(C(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1)c1ccccc1 ZINC000095511329 208215014 /nfs/dbraw/zinc/21/50/14/208215014.db2.gz PZUZCNUSBQPXJS-IBGZPJMESA-N 1 2 375.476 3.762 50 0 GHAALO CCn1ccc2cc(C(=O)N3CCC[C@@H](c4[nH+]ccn4CCOC)C3)ccc21 ZINC000095511550 208215210 /nfs/dbraw/zinc/21/52/10/208215210.db2.gz VQEPIVCUAVBIOA-LJQANCHMSA-N 1 2 380.492 3.524 50 0 GHAALO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)ccc1F ZINC000095519043 208217591 /nfs/dbraw/zinc/21/75/91/208217591.db2.gz NECNBBVIBOGHQW-INIZCTEOSA-N 1 2 384.480 3.855 50 0 GHAALO Cc1ccccc1CC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095517270 208218111 /nfs/dbraw/zinc/21/81/11/208218111.db2.gz VRAGYCWGZFPWAP-GOSISDBHSA-N 1 2 380.517 3.645 50 0 GHAALO CCc1ccccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095528544 208225855 /nfs/dbraw/zinc/22/58/55/208225855.db2.gz LKSXXURJMNFKQT-QGZVFWFLSA-N 1 2 380.517 3.970 50 0 GHAALO C[C@@H](C(=O)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1)c1ccccc1 ZINC000095526322 208225979 /nfs/dbraw/zinc/22/59/79/208225979.db2.gz OFDUMRFKCYBFOI-MRXNPFEDSA-N 1 2 380.517 3.898 50 0 GHAALO O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095530765 208229740 /nfs/dbraw/zinc/22/97/40/208229740.db2.gz AAOKZBLOBGSWKF-FCHUYYIVSA-N 1 2 386.499 3.836 50 0 GHAALO COc1ccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c(OC(F)F)c1 ZINC000095997178 208250647 /nfs/dbraw/zinc/25/06/47/208250647.db2.gz PRJOAELSWWXXDH-UHFFFAOYSA-N 1 2 384.467 3.766 50 0 GHAALO COc1ccc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c(OC(F)F)c1 ZINC000095997178 208250652 /nfs/dbraw/zinc/25/06/52/208250652.db2.gz PRJOAELSWWXXDH-UHFFFAOYSA-N 1 2 384.467 3.766 50 0 GHAALO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)c1nc(-c2ccccc2)nn1C1CCCCC1 ZINC000096132745 208269476 /nfs/dbraw/zinc/26/94/76/208269476.db2.gz DCEMPWZBJYSMTI-IBGZPJMESA-N 1 2 378.480 3.593 50 0 GHAALO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)c1nc(-c2ccccc2)nn1C1CCCCC1 ZINC000096132745 208269478 /nfs/dbraw/zinc/26/94/78/208269478.db2.gz DCEMPWZBJYSMTI-IBGZPJMESA-N 1 2 378.480 3.593 50 0 GHAALO O=C([O-])[C@@]12C[NH+](C3CCCCC3)C[C@@H]1C[N@@H+](Cc1ccc(F)cc1Cl)C2 ZINC000096162025 208280162 /nfs/dbraw/zinc/28/01/62/208280162.db2.gz UUPIKTAWXOUNJI-YWZLYKJASA-N 1 2 380.891 3.630 50 0 GHAALO O=C([O-])[C@@]12C[NH+](C3CCCCC3)C[C@@H]1C[N@H+](Cc1ccc(F)cc1Cl)C2 ZINC000096162025 208280167 /nfs/dbraw/zinc/28/01/67/208280167.db2.gz UUPIKTAWXOUNJI-YWZLYKJASA-N 1 2 380.891 3.630 50 0 GHAALO O=C([O-])[C@]12C[NH+](Cc3ccc(F)cc3Cl)C[C@H]1C[N@@H+](C1CCCCC1)C2 ZINC000096162025 208280174 /nfs/dbraw/zinc/28/01/74/208280174.db2.gz UUPIKTAWXOUNJI-YWZLYKJASA-N 1 2 380.891 3.630 50 0 GHAALO O=C([O-])[C@]12C[NH+](Cc3ccc(F)cc3Cl)C[C@H]1C[N@H+](C1CCCCC1)C2 ZINC000096162025 208280180 /nfs/dbraw/zinc/28/01/80/208280180.db2.gz UUPIKTAWXOUNJI-YWZLYKJASA-N 1 2 380.891 3.630 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C\c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000096925516 208329599 /nfs/dbraw/zinc/32/95/99/208329599.db2.gz WANZQZWNHLRTJO-DMGQTMSCSA-N 1 2 389.455 3.500 50 0 GHAALO Cc1ccc2c(COC(=O)[C@H]3CCCC[N@@H+]3Cc3cccnc3)cc(=O)oc2c1 ZINC000097164522 208341174 /nfs/dbraw/zinc/34/11/74/208341174.db2.gz RZCQTVMAYWMDJA-HXUWFJFHSA-N 1 2 392.455 3.594 50 0 GHAALO Cc1ccc2c(COC(=O)[C@H]3CCCC[N@H+]3Cc3cccnc3)cc(=O)oc2c1 ZINC000097164522 208341179 /nfs/dbraw/zinc/34/11/79/208341179.db2.gz RZCQTVMAYWMDJA-HXUWFJFHSA-N 1 2 392.455 3.594 50 0 GHAALO C[C@H](NC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000096781156 208323363 /nfs/dbraw/zinc/32/33/63/208323363.db2.gz XSJIWDABDFHBHM-ZXYDQQDNSA-N 1 2 397.950 3.848 50 0 GHAALO COC(=O)C[C@H](c1ccc(Br)s1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096231317 209012417 /nfs/dbraw/zinc/01/24/17/209012417.db2.gz NIPILRFAFVTRKK-SSDOTTSWSA-N 1 2 399.291 3.916 50 0 GHAALO FC(F)(F)c1cccc(-c2cncc(N3CCN(c4cccc[nH+]4)CC3)n2)c1 ZINC000045299895 132422854 /nfs/dbraw/zinc/42/28/54/132422854.db2.gz ZFJZJQWCWUNEFG-UHFFFAOYSA-N 1 2 385.393 3.884 50 0 GHAALO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000058447215 136155591 /nfs/dbraw/zinc/15/55/91/136155591.db2.gz VTOWZCKBJXTYMT-NRFANRHFSA-N 1 2 397.950 3.964 50 0 GHAALO CCCc1nc(C)cc(N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)n1 ZINC000095511048 136180769 /nfs/dbraw/zinc/18/07/69/136180769.db2.gz HPRIRTBREBXDET-MRXNPFEDSA-N 1 2 382.537 3.823 50 0 GHAALO CC[C@H](C)c1nc(N2CCN(C(C)=O)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000096317065 136186426 /nfs/dbraw/zinc/18/64/26/136186426.db2.gz KRWIKRWLPGKVLX-HNNXBMFYSA-N 1 2 384.499 3.697 50 0 GHAALO O=S(=O)(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1F ZINC000048332484 527221921 /nfs/dbraw/zinc/22/19/21/527221921.db2.gz HCAOXCYEUYUASF-KRWDZBQOSA-N 1 2 382.888 3.595 50 0 GHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cn2nnn(Cc3ccccc3)c2=S)cc1 ZINC000012819922 570233365 /nfs/dbraw/zinc/23/33/65/570233365.db2.gz HYXAZRHKNXWHFZ-IBGZPJMESA-N 1 2 381.505 3.661 50 0 GHAALO COc1ccc([C@@H]2CCC[N@H+]2Cn2nnn(Cc3ccccc3)c2=S)cc1 ZINC000012819922 570233370 /nfs/dbraw/zinc/23/33/70/570233370.db2.gz HYXAZRHKNXWHFZ-IBGZPJMESA-N 1 2 381.505 3.661 50 0 GHAALO Cc1ccc(-c2nc(C)c(C(=O)NCc3ccnc(-n4cc[nH+]c4)c3)s2)o1 ZINC000048355222 570243491 /nfs/dbraw/zinc/24/34/91/570243491.db2.gz HQWLZYCZKQSNMH-UHFFFAOYSA-N 1 2 379.445 3.531 50 0 GHAALO Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2[nH+]ccn2C)cc1F ZINC000048355215 570243530 /nfs/dbraw/zinc/24/35/30/570243530.db2.gz VAAROOQOKGYXDL-UHFFFAOYSA-N 1 2 380.448 3.859 50 0 GHAALO O=C(C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1)Nc1ccccc1-c1ccccc1 ZINC000048375323 570249556 /nfs/dbraw/zinc/24/95/56/570249556.db2.gz OAHJBWJJHBLPNW-OYRHEFFESA-N 1 2 394.515 3.952 50 0 GHAALO O=C(C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1)Nc1ccccc1-c1ccccc1 ZINC000048375323 570249560 /nfs/dbraw/zinc/24/95/60/570249560.db2.gz OAHJBWJJHBLPNW-OYRHEFFESA-N 1 2 394.515 3.952 50 0 GHAALO C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012876557 570275003 /nfs/dbraw/zinc/27/50/03/570275003.db2.gz GMAFHRMRKJQPJF-CQSZACIVSA-N 1 2 387.430 3.643 50 0 GHAALO O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000012925045 570296060 /nfs/dbraw/zinc/29/60/60/570296060.db2.gz FCMWFHSYFHFLPX-UHFFFAOYSA-N 1 2 391.515 3.840 50 0 GHAALO O=C(/C=C\c1ccccc1)N1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1 ZINC000011695714 570344101 /nfs/dbraw/zinc/34/41/01/570344101.db2.gz FMNFAMBJIXLXPX-KTKRTIGZSA-N 1 2 392.890 3.888 50 0 GHAALO COc1ccc2[nH]cc(C(=O)C[N@@H+]3CCN(c4cccc(OC)c4)[C@H](C)C3)c2c1 ZINC000035369252 570344164 /nfs/dbraw/zinc/34/41/64/570344164.db2.gz FFOGHMHNHUPCKW-MRXNPFEDSA-N 1 2 393.487 3.579 50 0 GHAALO COc1ccc2[nH]cc(C(=O)C[N@H+]3CCN(c4cccc(OC)c4)[C@H](C)C3)c2c1 ZINC000035369252 570344167 /nfs/dbraw/zinc/34/41/67/570344167.db2.gz FFOGHMHNHUPCKW-MRXNPFEDSA-N 1 2 393.487 3.579 50 0 GHAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 ZINC000575615134 570353644 /nfs/dbraw/zinc/35/36/44/570353644.db2.gz BMJPOQLPEFVHIR-LKUPDRCFSA-N 1 2 375.428 3.560 50 0 GHAALO CC(=O)Nc1nc(C(=O)Nc2ccc(-c3cn4cccc(C)c4[nH+]3)cc2)cs1 ZINC000053837745 570381647 /nfs/dbraw/zinc/38/16/47/570381647.db2.gz OEWPKPVMOGOSHI-UHFFFAOYSA-N 1 2 391.456 3.977 50 0 GHAALO CC(C)[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)[NH+]1CCOCC1 ZINC000012978389 570385665 /nfs/dbraw/zinc/38/56/65/570385665.db2.gz GHVBVQBSOQCJKG-KRWDZBQOSA-N 1 2 376.884 3.687 50 0 GHAALO CC(C)c1[nH+]ccn1-c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000004629442 570388692 /nfs/dbraw/zinc/38/86/92/570388692.db2.gz LGCVTXYKZRCUDS-UHFFFAOYSA-N 1 2 399.472 3.568 50 0 GHAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccc(Cl)cc1 ZINC000035769163 570443211 /nfs/dbraw/zinc/44/32/11/570443211.db2.gz VAXIYBHAQXVUHM-UHFFFAOYSA-N 1 2 398.938 3.650 50 0 GHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(OC)cc1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000016690055 570494575 /nfs/dbraw/zinc/49/45/75/570494575.db2.gz MTCLGGPTVZHYHO-CXAGYDPISA-N 1 2 386.521 3.889 50 0 GHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(OC)cc1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000016690055 570494579 /nfs/dbraw/zinc/49/45/79/570494579.db2.gz MTCLGGPTVZHYHO-CXAGYDPISA-N 1 2 386.521 3.889 50 0 GHAALO COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2F)cc1 ZINC000036102980 570540349 /nfs/dbraw/zinc/54/03/49/570540349.db2.gz YTGPDSAABQVBOV-SFHVURJKSA-N 1 2 385.435 3.869 50 0 GHAALO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2F)cc1 ZINC000036102980 570540352 /nfs/dbraw/zinc/54/03/52/570540352.db2.gz YTGPDSAABQVBOV-SFHVURJKSA-N 1 2 385.435 3.869 50 0 GHAALO COc1ccc(-c2csc3[nH]c(C[NH+]4CCCCC4)nc(=O)c23)cc1OC ZINC000036203877 570568283 /nfs/dbraw/zinc/56/82/83/570568283.db2.gz LAOCVRCEKPZNTN-UHFFFAOYSA-N 1 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COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)c(OC)c1 ZINC000020540157 207203694 /nfs/dbraw/zinc/20/36/94/207203694.db2.gz ZADMVOSBZAHBMS-MRXNPFEDSA-N 1 2 393.487 3.685 50 0 GHAALO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)c(OC)c1 ZINC000020540157 207203697 /nfs/dbraw/zinc/20/36/97/207203697.db2.gz ZADMVOSBZAHBMS-MRXNPFEDSA-N 1 2 393.487 3.685 50 0 GHAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000021641467 207233522 /nfs/dbraw/zinc/23/35/22/207233522.db2.gz OBUGIFWXJSXYIW-SFHVURJKSA-N 1 2 379.287 3.797 50 0 GHAALO CC(C)[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000022424073 207253569 /nfs/dbraw/zinc/25/35/69/207253569.db2.gz YZEFDSJAERRPNO-JOCHJYFZSA-N 1 2 381.520 3.715 50 0 GHAALO Cc1oc(-c2ccccc2)nc1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022847929 207263571 /nfs/dbraw/zinc/26/35/71/207263571.db2.gz LXTBDTMGWNJZCN-UHFFFAOYSA-N 1 2 391.471 3.697 50 0 GHAALO Cc1ccc(-c2noc([C@H](C)[NH+]3CCN(c4ccc(O)cc4)CC3)n2)cc1F ZINC000022514899 207255873 /nfs/dbraw/zinc/25/58/73/207255873.db2.gz KFHBAGMOZZTIMY-HNNXBMFYSA-N 1 2 382.439 3.773 50 0 GHAALO C[N@@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@@H](O)c1ccccc1 ZINC000023130711 207270710 /nfs/dbraw/zinc/27/07/10/207270710.db2.gz GBBBQTOYDURCKD-QGZVFWFLSA-N 1 2 391.393 3.845 50 0 GHAALO C[N@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@@H](O)c1ccccc1 ZINC000023130711 207270715 /nfs/dbraw/zinc/27/07/15/207270715.db2.gz GBBBQTOYDURCKD-QGZVFWFLSA-N 1 2 391.393 3.845 50 0 GHAALO Cc1nn(CN2CC[NH+]([C@@H](C)c3nc4ccccc4s3)CC2)c(=S)s1 ZINC000022934841 207266182 /nfs/dbraw/zinc/26/61/82/207266182.db2.gz DBKZUIFTQCJGJG-LBPRGKRZSA-N 1 2 391.591 3.929 50 0 GHAALO Cc1c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000023778131 207283326 /nfs/dbraw/zinc/28/33/26/207283326.db2.gz ZLUSYGGWLWKOAA-FQEVSTJZSA-N 1 2 389.434 3.573 50 0 GHAALO C[N@@H+]1CCc2nc(NC(=O)COC(c3ccccc3)c3ccccc3)sc2C1 ZINC000023608398 207280318 /nfs/dbraw/zinc/28/03/18/207280318.db2.gz STUMUUQFNHXHPM-UHFFFAOYSA-N 1 2 393.512 3.876 50 0 GHAALO C[N@H+]1CCc2nc(NC(=O)COC(c3ccccc3)c3ccccc3)sc2C1 ZINC000023608398 207280329 /nfs/dbraw/zinc/28/03/29/207280329.db2.gz STUMUUQFNHXHPM-UHFFFAOYSA-N 1 2 393.512 3.876 50 0 GHAALO Cc1csc2nc(C[NH+]3CCC(C(=O)c4ccc(C)cc4C)CC3)cc(=O)n12 ZINC000026640681 207318091 /nfs/dbraw/zinc/31/80/91/207318091.db2.gz SZAPUILMJAEWQZ-UHFFFAOYSA-N 1 2 395.528 3.776 50 0 GHAALO O=C1CC2(CCCC2)C(=O)N1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000026618600 207316710 /nfs/dbraw/zinc/31/67/10/207316710.db2.gz PWIGSVVXIKJUHC-UHFFFAOYSA-N 1 2 380.410 3.947 50 0 GHAALO O=C1CC2(CCCC2)C(=O)N1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000026618600 207316715 /nfs/dbraw/zinc/31/67/15/207316715.db2.gz PWIGSVVXIKJUHC-UHFFFAOYSA-N 1 2 380.410 3.947 50 0 GHAALO Cc1ccc([C@H](CNC(=O)c2ccc(OCC(C)C)cc2)[NH+]2CCOCC2)cc1 ZINC000027583914 207326792 /nfs/dbraw/zinc/32/67/92/207326792.db2.gz XUDVSFOGLLMFDU-QHCPKHFHSA-N 1 2 396.531 3.833 50 0 GHAALO CCc1nc2sc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)c(C)c2c(C)n1 ZINC000030030728 207369043 /nfs/dbraw/zinc/36/90/43/207369043.db2.gz HSGNBSUCPMOGFD-KRWDZBQOSA-N 1 2 394.544 3.999 50 0 GHAALO CCc1nc2sc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)c(C)c2c(C)n1 ZINC000030030728 207369049 /nfs/dbraw/zinc/36/90/49/207369049.db2.gz HSGNBSUCPMOGFD-KRWDZBQOSA-N 1 2 394.544 3.999 50 0 GHAALO COc1ccc(C(=O)c2c(C)n(CC[NH+]3CCOCC3)c3ccccc32)cc1 ZINC000030691168 207374161 /nfs/dbraw/zinc/37/41/61/207374161.db2.gz MEUQWHZOUDZXHH-UHFFFAOYSA-N 1 2 378.472 3.522 50 0 in-man GHAALO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000030689073 207374543 /nfs/dbraw/zinc/37/45/43/207374543.db2.gz ZCGUEMYHOSXYOA-JOCHJYFZSA-N 1 2 386.455 3.834 50 0 GHAALO CNC(=O)c1ccc(C=CC(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)cc1 ZINC000032466130 207394647 /nfs/dbraw/zinc/39/46/47/207394647.db2.gz ZDFAONGFJOFBQY-KPKJPENVSA-N 1 2 376.460 3.872 50 0 GHAALO COCC[C@@H]1C[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)CCO1 ZINC000072433176 208025395 /nfs/dbraw/zinc/02/53/95/208025395.db2.gz HDEBWHZPYPVJQZ-MRXNPFEDSA-N 1 2 384.398 3.906 50 0 GHAALO COCC[C@@H]1C[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)CCO1 ZINC000072433176 208025402 /nfs/dbraw/zinc/02/54/02/208025402.db2.gz HDEBWHZPYPVJQZ-MRXNPFEDSA-N 1 2 384.398 3.906 50 0 GHAALO CC(C)(CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000078402221 208064208 /nfs/dbraw/zinc/06/42/08/208064208.db2.gz LRIYHOQPCUEVDT-UHFFFAOYSA-N 1 2 375.513 3.692 50 0 GHAALO Cc1cc2[nH+]c(CNC(=O)c3csc(Cc4ccccc4)n3)cn2c(C)c1 ZINC000082155701 208081592 /nfs/dbraw/zinc/08/15/92/208081592.db2.gz LJGUERCHLXVPCC-UHFFFAOYSA-N 1 2 376.485 3.928 50 0 GHAALO CC(C)c1nc(C[NH+]2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)no1 ZINC000091793028 208137883 /nfs/dbraw/zinc/13/78/83/208137883.db2.gz BGUCMDZKMBSPID-UHFFFAOYSA-N 1 2 396.535 3.640 50 0 GHAALO C[N@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)CC(C)(C)S(C)(=O)=O ZINC000093772497 208150342 /nfs/dbraw/zinc/15/03/42/208150342.db2.gz LAFJVIQLXQEFSA-UHFFFAOYSA-N 1 2 378.321 3.524 50 0 GHAALO C[N@@H+](CC1=Cc2cc(Cl)cc(Cl)c2OC1)CC(C)(C)S(C)(=O)=O ZINC000093772497 208150349 /nfs/dbraw/zinc/15/03/49/208150349.db2.gz LAFJVIQLXQEFSA-UHFFFAOYSA-N 1 2 378.321 3.524 50 0 GHAALO Cc1cc(S(=O)(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)cnc1Cl ZINC000095455178 208186086 /nfs/dbraw/zinc/18/60/86/208186086.db2.gz OKUGWERFOPFZFK-UHFFFAOYSA-N 1 2 379.913 3.816 50 0 GHAALO Cc1cc(S(=O)(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)cnc1Cl ZINC000095455178 208186094 /nfs/dbraw/zinc/18/60/94/208186094.db2.gz OKUGWERFOPFZFK-UHFFFAOYSA-N 1 2 379.913 3.816 50 0 GHAALO COc1ccc(SC)c(OC)c1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000095462903 208188543 /nfs/dbraw/zinc/18/85/43/208188543.db2.gz KWPXDQHSSRHMOE-UHFFFAOYSA-N 1 2 397.500 3.601 50 0 GHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2ccc(O)c(Cl)c2)C1 ZINC000095499720 208201803 /nfs/dbraw/zinc/20/18/03/208201803.db2.gz UUFDDJHRXWOUJY-MRXNPFEDSA-N 1 2 375.900 3.991 50 0 GHAALO O=C(c1ccc2cc[nH]c2c1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095525732 208223446 /nfs/dbraw/zinc/22/34/46/208223446.db2.gz QLRGBZMYOSPAGS-UHFFFAOYSA-N 1 2 385.471 3.828 50 0 GHAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(Cn3cccn3)o2)C1 ZINC000095527354 208225200 /nfs/dbraw/zinc/22/52/00/208225200.db2.gz PRLYVGDKOMTDEM-KRWDZBQOSA-N 1 2 381.480 3.541 50 0 GHAALO CSc1ccc(C[N@H+](C)CN2C(=O)CN(/C=C\c3ccccc3)C2=O)cc1 ZINC000097117836 208338956 /nfs/dbraw/zinc/33/89/56/208338956.db2.gz RJEWOJFODOTWCI-SEYXRHQNSA-N 1 2 381.501 3.733 50 0 GHAALO CSc1ccc(C[N@@H+](C)CN2C(=O)CN(/C=C\c3ccccc3)C2=O)cc1 ZINC000097117836 208338961 /nfs/dbraw/zinc/33/89/61/208338961.db2.gz RJEWOJFODOTWCI-SEYXRHQNSA-N 1 2 381.501 3.733 50 0 GHAALO Cc1cccc(CN(C[C@H]2CCCO2)C(=O)Cc2c[nH+]c3c(C)cccn23)c1 ZINC000097492424 208354676 /nfs/dbraw/zinc/35/46/76/208354676.db2.gz GZKCPUYQIZUEOI-OAQYLSRUSA-N 1 2 377.488 3.701 50 0 GHAALO COc1ccc2[nH]c(CNC(=O)N3CCCC[C@H]3CCn3cc[nH+]c3)cc2c1 ZINC000426701595 533234480 /nfs/dbraw/zinc/23/44/80/533234480.db2.gz KTAHIVFMGPXTDH-SFHVURJKSA-N 1 2 381.480 3.527 50 0 GHAALO C[C@@H]1CCN(C(=O)C[NH+]2CCN(c3ccccc3)CC2)c2ccccc2S1 ZINC000058146842 136154486 /nfs/dbraw/zinc/15/44/86/136154486.db2.gz ICCSOVRCWYGOHG-GOSISDBHSA-N 1 2 381.545 3.726 50 0 GHAALO C[C@@H](NC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)c1ccccc1 ZINC000065245255 136161489 /nfs/dbraw/zinc/16/14/89/136161489.db2.gz HJDSKJTWXKCOPT-QZTJIDSGSA-N 1 2 393.535 3.925 50 0 GHAALO C[C@@H](NC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)c1ccccc1 ZINC000065245255 136161490 /nfs/dbraw/zinc/16/14/90/136161490.db2.gz HJDSKJTWXKCOPT-QZTJIDSGSA-N 1 2 393.535 3.925 50 0 GHAALO COc1cccc(N2C[C@H](Cc3ccccc3)[N@H+](Cc3ccoc3)CC2=O)c1 ZINC000082162018 136174341 /nfs/dbraw/zinc/17/43/41/136174341.db2.gz GMGCBAOSZZELTH-NRFANRHFSA-N 1 2 376.456 3.748 50 0 GHAALO COc1cccc(N2C[C@H](Cc3ccccc3)[N@@H+](Cc3ccoc3)CC2=O)c1 ZINC000082162018 136174342 /nfs/dbraw/zinc/17/43/42/136174342.db2.gz GMGCBAOSZZELTH-NRFANRHFSA-N 1 2 376.456 3.748 50 0 GHAALO Cc1[nH+]c(C2CC2)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccccc1F ZINC000096316877 136186279 /nfs/dbraw/zinc/18/62/79/136186279.db2.gz VSVHIGXZGADTKR-UHFFFAOYSA-N 1 2 396.510 3.697 50 0 GHAALO Cc1ccc(Cc2c(C)[nH+]c(C(C)C)nc2N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000096317193 136186547 /nfs/dbraw/zinc/18/65/47/136186547.db2.gz JSXJXTIPXDKRMX-UHFFFAOYSA-N 1 2 392.547 3.866 50 0 GHAALO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccccc1-n1cccn1 ZINC000122325822 136192361 /nfs/dbraw/zinc/19/23/61/136192361.db2.gz FCEXBPCIQYLEEQ-UHFFFAOYSA-N 1 2 376.464 3.579 50 0 GHAALO COc1cccc(-c2cccc(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)c2)n1 ZINC000299766521 209084094 /nfs/dbraw/zinc/08/40/94/209084094.db2.gz OSOMFQSKGFYDON-KRWDZBQOSA-N 1 2 376.460 3.506 50 0 GHAALO COc1cccc(C[NH+]2CCN(C(=O)Nc3ccc4scnc4c3)CC2)c1 ZINC000299766318 209085586 /nfs/dbraw/zinc/08/55/86/209085586.db2.gz CHQVUYMESSVPKH-UHFFFAOYSA-N 1 2 382.489 3.655 50 0 GHAALO COc1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4cccs4)no3)CC2)cc1 ZINC000065184204 222107864 /nfs/dbraw/zinc/10/78/64/222107864.db2.gz DLMSSQYYALEEBF-UHFFFAOYSA-N 1 2 398.488 3.625 50 0 GHAALO CC(C)c1[nH]c2ccc(NC(=O)NCCCn3nnc4ccccc43)cc2[nH+]1 ZINC000426477528 528327794 /nfs/dbraw/zinc/32/77/94/528327794.db2.gz HFDVMAWPFCRZKB-UHFFFAOYSA-N 1 2 377.452 3.643 50 0 GHAALO CCCc1c[nH+]c(C)nc1N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091434122 535436552 /nfs/dbraw/zinc/43/65/52/535436552.db2.gz DBFDCPLAFXOYCH-UHFFFAOYSA-N 1 2 393.535 3.542 50 0 GHAALO CCCOC(=O)c1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000048302710 570235195 /nfs/dbraw/zinc/23/51/95/570235195.db2.gz PQPDIVVUMIPHQD-HXUWFJFHSA-N 1 2 398.528 3.982 50 0 GHAALO Fc1ccc([C@H](c2nnc(-c3ccccc3)o2)[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000063648880 570241376 /nfs/dbraw/zinc/24/13/76/570241376.db2.gz KSQYDCGBEKTNRG-LJQANCHMSA-N 1 2 395.434 3.804 50 0 GHAALO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(Cl)cc1F ZINC000012881517 570283393 /nfs/dbraw/zinc/28/33/93/570283393.db2.gz XISJMARNZSIAIF-UHFFFAOYSA-N 1 2 395.906 3.532 50 0 GHAALO C[N@@H+]1CCN(C(=O)CSc2nc3ccccc3s2)[C@H](c2ccccc2)C1 ZINC000012912233 570291468 /nfs/dbraw/zinc/29/14/68/570291468.db2.gz AAXPGTPPHDSXLB-KRWDZBQOSA-N 1 2 383.542 3.904 50 0 GHAALO C[N@H+]1CCN(C(=O)CSc2nc3ccccc3s2)[C@H](c2ccccc2)C1 ZINC000012912233 570291469 /nfs/dbraw/zinc/29/14/69/570291469.db2.gz AAXPGTPPHDSXLB-KRWDZBQOSA-N 1 2 383.542 3.904 50 0 GHAALO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000012916046 570293230 /nfs/dbraw/zinc/29/32/30/570293230.db2.gz NUZIFFSYPLDFGO-CYBMUJFWSA-N 1 2 398.334 3.655 50 0 GHAALO CCN(C)c1cc(N2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)nc[nH+]1 ZINC000216491600 570302482 /nfs/dbraw/zinc/30/24/82/570302482.db2.gz PIFXRIBTAQHYRV-HXUWFJFHSA-N 1 2 378.476 3.672 50 0 GHAALO CCN(C)c1cc(N2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)[nH+]cn1 ZINC000216491600 570302485 /nfs/dbraw/zinc/30/24/85/570302485.db2.gz PIFXRIBTAQHYRV-HXUWFJFHSA-N 1 2 378.476 3.672 50 0 GHAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)c2cncc(Br)c2)C1 ZINC000575618914 570365028 /nfs/dbraw/zinc/36/50/28/570365028.db2.gz XJJBLYARKSGBQT-OAHLLOKOSA-N 1 2 385.265 3.589 50 0 GHAALO C[NH+]1CCN(n2c(-c3ccc(Cl)cc3)cs/c2=N\c2ccccc2)CC1 ZINC000004477261 570376831 /nfs/dbraw/zinc/37/68/31/570376831.db2.gz OSLRSKPEFZULFJ-XDOYNYLZSA-N 1 2 384.936 3.986 50 0 GHAALO COc1c(C)c[nH+]c(Cn2ccn3nc(-c4ccccc4Cl)cc3c2=O)c1C ZINC000090610203 570385998 /nfs/dbraw/zinc/38/59/98/570385998.db2.gz JCZFHKCALQSOAY-UHFFFAOYSA-N 1 2 394.862 3.885 50 0 GHAALO Cc1[nH]c2ccc(NC(=O)C3CCN(C(=O)C=Cc4ccccc4)CC3)cc2[nH+]1 ZINC000024756032 570408308 /nfs/dbraw/zinc/40/83/08/570408308.db2.gz FHVUDUHBTBVLQT-JXMROGBWSA-N 1 2 388.471 3.762 50 0 GHAALO O=C(NCCCn1cc[nH+]c1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000005072184 570412614 /nfs/dbraw/zinc/41/26/14/570412614.db2.gz GAIRQRNBVWVSQT-UHFFFAOYSA-N 1 2 377.473 3.617 50 0 GHAALO COc1ccc([C@@H](NC(=O)c2ccccc2OC(F)F)c2[nH+]ccn2C)cc1 ZINC000016473967 570426068 /nfs/dbraw/zinc/42/60/68/570426068.db2.gz RDQZGDGGPGAAJN-QGZVFWFLSA-N 1 2 387.386 3.550 50 0 GHAALO O=C(NCCc1c[nH]c2cc(F)ccc12)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000050765415 570450454 /nfs/dbraw/zinc/45/04/54/570450454.db2.gz LECLPPHJVXHJEE-OAQYLSRUSA-N 1 2 397.519 3.756 50 0 GHAALO Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3CNC(=O)OC(C)(C)C)o2)cc1 ZINC000050962697 570486374 /nfs/dbraw/zinc/48/63/74/570486374.db2.gz RZKLTCAMSBEYFS-KRWDZBQOSA-N 1 2 386.496 3.924 50 0 GHAALO Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3CNC(=O)OC(C)(C)C)o2)cc1 ZINC000050962697 570486377 /nfs/dbraw/zinc/48/63/77/570486377.db2.gz RZKLTCAMSBEYFS-KRWDZBQOSA-N 1 2 386.496 3.924 50 0 GHAALO C[N@H+](Cc1ccccc1OCC(F)(F)F)[C@H]1CCN(c2ccccc2)C1=O ZINC000072305160 570517026 /nfs/dbraw/zinc/51/70/26/570517026.db2.gz VHXOLEHRDNVVCU-KRWDZBQOSA-N 1 2 378.394 3.865 50 0 GHAALO C[N@@H+](Cc1ccccc1OCC(F)(F)F)[C@H]1CCN(c2ccccc2)C1=O ZINC000072305160 570517029 /nfs/dbraw/zinc/51/70/29/570517029.db2.gz VHXOLEHRDNVVCU-KRWDZBQOSA-N 1 2 378.394 3.865 50 0 GHAALO CC[NH+]1CCN(C(=O)c2sc(-c3cn(C(C)C)c4ncccc34)nc2C)CC1 ZINC000064759536 570536622 /nfs/dbraw/zinc/53/66/22/570536622.db2.gz RMNSSIUWQQVRLT-UHFFFAOYSA-N 1 2 397.548 3.827 50 0 GHAALO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000225490037 570579496 /nfs/dbraw/zinc/57/94/96/570579496.db2.gz UPPHBWOZSOANND-CQSZACIVSA-N 1 2 385.493 3.701 50 0 GHAALO CCn1cc[nH+]c1CNc1ccc(-c2nc(Cc3ccc(OC)cc3)no2)cn1 ZINC000011819373 570585514 /nfs/dbraw/zinc/58/55/14/570585514.db2.gz GJDWPPQDNNDKPL-UHFFFAOYSA-N 1 2 390.447 3.560 50 0 GHAALO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000005450796 570599019 /nfs/dbraw/zinc/59/90/19/570599019.db2.gz SHVJJUJHVTZKFA-UHFFFAOYSA-N 1 2 382.895 3.737 50 0 GHAALO Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000012301482 570636304 /nfs/dbraw/zinc/63/63/04/570636304.db2.gz VUDCYNKXBPZCHQ-AIADIJKESA-N 1 2 375.476 3.747 50 0 GHAALO CCc1c(C)[nH+]c(-c2cccc(C)c2)nc1N1CCN(C(=O)c2ccco2)CC1 ZINC000006838215 570638757 /nfs/dbraw/zinc/63/87/57/570638757.db2.gz SEVLPPVIXHNWCW-UHFFFAOYSA-N 1 2 390.487 3.878 50 0 GHAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)cc1C ZINC000065034881 570653726 /nfs/dbraw/zinc/65/37/26/570653726.db2.gz XUDOMQAHWUNHJN-UHFFFAOYSA-N 1 2 389.499 3.759 50 0 GHAALO Cc1ccc(NC(=O)C[N@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)cc1C ZINC000065034881 570653727 /nfs/dbraw/zinc/65/37/27/570653727.db2.gz XUDOMQAHWUNHJN-UHFFFAOYSA-N 1 2 389.499 3.759 50 0 GHAALO C[N@H+](Cc1nc(Cc2ccccc2Cl)no1)Cc1ccc2nsnc2c1 ZINC000055099778 570683152 /nfs/dbraw/zinc/68/31/52/570683152.db2.gz XFKJQVMXKGLIRC-UHFFFAOYSA-N 1 2 385.880 3.951 50 0 GHAALO C[N@@H+](Cc1nc(Cc2ccccc2Cl)no1)Cc1ccc2nsnc2c1 ZINC000055099778 570683153 /nfs/dbraw/zinc/68/31/53/570683153.db2.gz XFKJQVMXKGLIRC-UHFFFAOYSA-N 1 2 385.880 3.951 50 0 GHAALO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](Cc2nc(CC3CC3)no2)CC1 ZINC000012585991 570685694 /nfs/dbraw/zinc/68/56/94/570685694.db2.gz OVZZBKNNRLGKDC-UHFFFAOYSA-N 1 2 381.398 3.525 50 0 GHAALO CCc1cccc(CC)c1NC(=O)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000055562779 570697158 /nfs/dbraw/zinc/69/71/58/570697158.db2.gz SQAAMXDQLZMWEJ-UHFFFAOYSA-N 1 2 381.520 3.581 50 0 GHAALO Cc1ccc(Nc2nc(N3CCN(C(=O)c4cccs4)CC3)cc(C)[nH+]2)cc1 ZINC000056907182 570700603 /nfs/dbraw/zinc/70/06/03/570700603.db2.gz WABZHGHNSNOFQM-UHFFFAOYSA-N 1 2 393.516 3.861 50 0 GHAALO Cc1ncc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)s1 ZINC000012748921 570709167 /nfs/dbraw/zinc/70/91/67/570709167.db2.gz QHQFOBMKXOGILR-IBGZPJMESA-N 1 2 381.505 3.630 50 0 GHAALO Cc1ncc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)s1 ZINC000012748921 570709171 /nfs/dbraw/zinc/70/91/71/570709171.db2.gz QHQFOBMKXOGILR-IBGZPJMESA-N 1 2 381.505 3.630 50 0 GHAALO C[C@@H]1c2cccn2CC[N@H+]1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012985706 570737217 /nfs/dbraw/zinc/73/72/17/570737217.db2.gz JZZJESQTNBVDPC-MRXNPFEDSA-N 1 2 394.544 3.881 50 0 GHAALO C[C@@H]1c2cccn2CC[N@@H+]1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012985706 570737220 /nfs/dbraw/zinc/73/72/20/570737220.db2.gz JZZJESQTNBVDPC-MRXNPFEDSA-N 1 2 394.544 3.881 50 0 GHAALO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CCCN(c2nccs2)CC1 ZINC000060099610 570740367 /nfs/dbraw/zinc/74/03/67/570740367.db2.gz HCISDOBRMCFMSV-AWEZNQCLSA-N 1 2 378.929 3.644 50 0 GHAALO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCCN(c2nccs2)CC1 ZINC000060099610 570740370 /nfs/dbraw/zinc/74/03/70/570740370.db2.gz HCISDOBRMCFMSV-AWEZNQCLSA-N 1 2 378.929 3.644 50 0 GHAALO Cc1ccc(C)c(S(=O)(=O)CC[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000013038956 570743268 /nfs/dbraw/zinc/74/32/68/570743268.db2.gz QYIYQJTYDHUWAK-UHFFFAOYSA-N 1 2 386.561 3.516 50 0 GHAALO CCOC(=O)C1(CCOC)CC[NH+](Cc2nc(-c3cccs3)oc2C)CC1 ZINC000013595775 570761615 /nfs/dbraw/zinc/76/16/15/570761615.db2.gz RTZBXKVQJDMVGE-UHFFFAOYSA-N 1 2 392.521 3.893 50 0 GHAALO CC(C)(CNC(=O)CSC(c1ccccc1)c1ccccc1)[NH+]1CCOCC1 ZINC000036622294 570766290 /nfs/dbraw/zinc/76/62/90/570766290.db2.gz PTTYZMFOSGRFEW-UHFFFAOYSA-N 1 2 398.572 3.736 50 0 GHAALO CC[NH2+][C@@H](c1nnnn1-c1cccc(C)c1)c1cc(Cl)cc(Cl)c1OC ZINC000096602058 570774219 /nfs/dbraw/zinc/77/42/19/570774219.db2.gz ZNSARZOLESYDMT-MRXNPFEDSA-N 1 2 392.290 3.985 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccc(C)cc3)CC2)nc[nH+]1 ZINC000065274252 570776357 /nfs/dbraw/zinc/77/63/57/570776357.db2.gz ROEBLGLVZQLXGM-UHFFFAOYSA-N 1 2 395.551 3.920 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccc(C)cc3)CC2)[nH+]cn1 ZINC000065274252 570776362 /nfs/dbraw/zinc/77/63/62/570776362.db2.gz ROEBLGLVZQLXGM-UHFFFAOYSA-N 1 2 395.551 3.920 50 0 GHAALO C[C@@H](Sc1nc2ccccc2o1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022024853 570777885 /nfs/dbraw/zinc/77/78/85/570777885.db2.gz ILDKEXAXHPIWRE-MRXNPFEDSA-N 1 2 381.501 3.653 50 0 GHAALO Cc1cc(N)nc(SCC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)[nH+]1 ZINC000007094678 570787984 /nfs/dbraw/zinc/78/79/84/570787984.db2.gz RKSWGUOBQBPREX-KRWDZBQOSA-N 1 2 388.493 3.566 50 0 GHAALO Fc1ccc([C@@]2(c3noc(CCc4[nH]c5ccccc5[nH+]4)n3)CCOC2)cc1 ZINC000067871493 570795034 /nfs/dbraw/zinc/79/50/34/570795034.db2.gz PAZXALSUIXQNTG-OAQYLSRUSA-N 1 2 378.407 3.577 50 0 GHAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc12 ZINC000033084491 570805824 /nfs/dbraw/zinc/80/58/24/570805824.db2.gz GUUIMQAADGLAED-UHFFFAOYSA-N 1 2 390.487 3.698 50 0 GHAALO CC[C@H](c1nnc(SCC(=O)c2ccc[nH]2)n1Cc1ccccc1)[NH+](C)C ZINC000004494493 570810757 /nfs/dbraw/zinc/81/07/57/570810757.db2.gz ILHGLTBKGSUTAL-QGZVFWFLSA-N 1 2 383.521 3.642 50 0 GHAALO O=C(COCc1nc2ccccc2s1)N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000012506967 570822692 /nfs/dbraw/zinc/82/26/92/570822692.db2.gz KNVLUUIMWOYDTP-QGZVFWFLSA-N 1 2 392.484 3.636 50 0 GHAALO C[C@H](CNC(=O)c1ccc(Br)s1)[N@@H+]1CCc2sccc2C1 ZINC000032817169 570830365 /nfs/dbraw/zinc/83/03/65/570830365.db2.gz LNMWAYXBLUVLSP-SNVBAGLBSA-N 1 2 385.352 3.749 50 0 GHAALO C[C@H](CNC(=O)c1ccc(Br)s1)[N@H+]1CCc2sccc2C1 ZINC000032817169 570830371 /nfs/dbraw/zinc/83/03/71/570830371.db2.gz LNMWAYXBLUVLSP-SNVBAGLBSA-N 1 2 385.352 3.749 50 0 GHAALO C[C@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547617 570849324 /nfs/dbraw/zinc/84/93/24/570849324.db2.gz WDPCSMVCMZHRMM-WMLDXEAASA-N 1 2 381.863 3.954 50 0 GHAALO Fc1ccc([C@H]2CN(Cc3ccccc3OCCn3cc[nH+]c3)CCO2)cc1 ZINC000071765523 570851531 /nfs/dbraw/zinc/85/15/31/570851531.db2.gz NIGMWGBZMFKETJ-JOCHJYFZSA-N 1 2 381.451 3.675 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1Br)c1cccc(F)c1 ZINC000012549559 570852394 /nfs/dbraw/zinc/85/23/94/570852394.db2.gz DCSPOBHLIKJBOW-INIZCTEOSA-N 1 2 388.240 3.841 50 0 GHAALO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000012558110 570860144 /nfs/dbraw/zinc/86/01/44/570860144.db2.gz IPIOODYYTGFAKD-INIZCTEOSA-N 1 2 387.911 3.806 50 0 GHAALO CCCCn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1ccc(OC)cc1 ZINC000170605478 570863037 /nfs/dbraw/zinc/86/30/37/570863037.db2.gz SKWLEGJOHWHEGS-MRXNPFEDSA-N 1 2 390.553 3.567 50 0 GHAALO CCCCn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1ccc(OC)cc1 ZINC000170605478 570863039 /nfs/dbraw/zinc/86/30/39/570863039.db2.gz SKWLEGJOHWHEGS-MRXNPFEDSA-N 1 2 390.553 3.567 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(Br)c1)c1cccc(F)c1 ZINC000012604326 570887800 /nfs/dbraw/zinc/88/78/00/570887800.db2.gz DEURJKMMPSSFNZ-INIZCTEOSA-N 1 2 388.240 3.841 50 0 GHAALO Cc1ccc(C(=O)CCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1C ZINC000032899739 570895677 /nfs/dbraw/zinc/89/56/77/570895677.db2.gz BXSZBPWIYZJVTB-JOCHJYFZSA-N 1 2 375.472 3.906 50 0 GHAALO CC(=O)C(C(C)=O)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@@]31[NH+]=2 ZINC000004024146 570901342 /nfs/dbraw/zinc/90/13/42/570901342.db2.gz KUTPZUGYRAXAFK-DVECYGJZSA-N 1 2 376.500 3.573 50 0 biogenic GHAALO O=S(=O)(NCc1ccc(Cn2cc[nH+]c2)cc1)c1c(Cl)cccc1Cl ZINC000054534163 570967697 /nfs/dbraw/zinc/96/76/97/570967697.db2.gz WRIQUVYGXSPFKH-UHFFFAOYSA-N 1 2 396.299 3.717 50 0 GHAALO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cc2F)c1 ZINC000007683439 571015797 /nfs/dbraw/zinc/01/57/97/571015797.db2.gz PXWRWRDMJKRBNE-UHFFFAOYSA-N 1 2 381.245 3.667 50 0 GHAALO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cc2F)c1 ZINC000007683439 571015798 /nfs/dbraw/zinc/01/57/98/571015798.db2.gz PXWRWRDMJKRBNE-UHFFFAOYSA-N 1 2 381.245 3.667 50 0 GHAALO CC[C@H](NC(=O)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000084734037 571033626 /nfs/dbraw/zinc/03/36/26/571033626.db2.gz CJZHZNSJFFQHMD-IBGZPJMESA-N 1 2 396.878 3.791 50 0 GHAALO Cc1cc(N2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)nc(C(C)C)[nH+]1 ZINC000012782357 571036291 /nfs/dbraw/zinc/03/62/91/571036291.db2.gz RLJBMRRDNQWITI-UHFFFAOYSA-N 1 2 399.568 3.637 50 0 GHAALO O=C(NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl ZINC000056997372 861859194 /nfs/dbraw/zinc/85/91/94/861859194.db2.gz UUJZCKLZWCRRMM-UHFFFAOYSA-N 1 2 378.303 3.545 50 0 GHAALO CCOC(=O)C1CC[NH+]([C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC1 ZINC000057406149 862079455 /nfs/dbraw/zinc/07/94/55/862079455.db2.gz WKULKHLBQIVALR-NRFANRHFSA-N 1 2 380.488 3.950 50 0 GHAALO COc1ccc(/C=C/C(=O)Nc2c3c([nH+]c4ccccc42)N(C)CC3)cc1OC ZINC000003150512 862220778 /nfs/dbraw/zinc/22/07/78/862220778.db2.gz SVUCYGYBOWQDOW-PKNBQFBNSA-N 1 2 389.455 3.896 50 0 GHAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3c(C)nn(C)c3Cl)C2)cc1F ZINC000012454472 862489825 /nfs/dbraw/zinc/48/98/25/862489825.db2.gz YTJUXVUKRLLBNO-AWEZNQCLSA-N 1 2 379.863 3.625 50 0 GHAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3c(C)nn(C)c3Cl)C2)cc1F ZINC000012454472 862489834 /nfs/dbraw/zinc/48/98/34/862489834.db2.gz YTJUXVUKRLLBNO-AWEZNQCLSA-N 1 2 379.863 3.625 50 0 GHAALO COC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CC[N@H+](C)C2 ZINC000004086931 862770320 /nfs/dbraw/zinc/77/03/20/862770320.db2.gz FOGAOTPPFNXIKI-UHFFFAOYSA-N 1 2 398.406 3.794 50 0 GHAALO COC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CC[N@@H+](C)C2 ZINC000004086931 862770331 /nfs/dbraw/zinc/77/03/31/862770331.db2.gz FOGAOTPPFNXIKI-UHFFFAOYSA-N 1 2 398.406 3.794 50 0 GHAALO CCOc1ccc(C[N@H+](C)Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000040152880 856684794 /nfs/dbraw/zinc/68/47/94/856684794.db2.gz VEUBGAZYBTWSNO-UHFFFAOYSA-N 1 2 389.459 3.552 50 0 GHAALO CCOc1ccc(C[N@@H+](C)Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 ZINC000040152880 856684797 /nfs/dbraw/zinc/68/47/97/856684797.db2.gz VEUBGAZYBTWSNO-UHFFFAOYSA-N 1 2 389.459 3.552 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCN(C(=O)COc2ccc(F)cc2)C1 ZINC000581807155 870037159 /nfs/dbraw/zinc/03/71/59/870037159.db2.gz DTHRKNZUTMORPY-LJQANCHMSA-N 1 2 379.435 3.850 50 0 GHAALO Cc1c[nH+]c([C@H]2CCN(S(=O)(=O)c3cccc(F)c3)C2)n1Cc1ccccc1 ZINC000581815665 870044739 /nfs/dbraw/zinc/04/47/39/870044739.db2.gz FMBKNNQRDGCZBT-SFHVURJKSA-N 1 2 399.491 3.557 50 0 GHAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000007854761 878470015 /nfs/dbraw/zinc/47/00/15/878470015.db2.gz YDKTVWIUROOGGG-FQEVSTJZSA-N 1 2 377.492 3.603 50 0 GHAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000007854761 878470027 /nfs/dbraw/zinc/47/00/27/878470027.db2.gz YDKTVWIUROOGGG-FQEVSTJZSA-N 1 2 377.492 3.603 50 0 GHAALO CS(=O)(=O)N(Cc1cn2c([nH+]1)CCCC2)Cc1c(Cl)oc2ccccc21 ZINC000622019083 888598562 /nfs/dbraw/zinc/59/85/62/888598562.db2.gz LFJRRJBEGBUNAW-UHFFFAOYSA-N 1 2 393.896 3.581 50 0 GHAALO Cc1cc(N2CCC[C@@H]3[C@H](NC(=O)C(C)(F)F)C(C)(C)[C@H]32)nc(C(C)C)[nH+]1 ZINC000585137738 897818079 /nfs/dbraw/zinc/81/80/79/897818079.db2.gz RJVSSCDNWLERNJ-KBMXLJTQSA-N 1 2 380.483 3.673 50 0 GHAALO CNC(=O)c1ccc(NC(=O)[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)c(C)c1 ZINC000952971973 904649857 /nfs/dbraw/zinc/64/98/57/904649857.db2.gz PKINSYMFGCPIDM-HXUWFJFHSA-N 1 2 383.467 3.659 50 0 GHAALO CCN(Cc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000007738332 919930215 /nfs/dbraw/zinc/93/02/15/919930215.db2.gz RAFOTPAHCXIFGC-UXBLZVDNSA-N 1 2 389.455 3.705 50 0 GHAALO O=C(C1=Cc2cc(Cl)ccc2OC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012898067 928117498 /nfs/dbraw/zinc/11/74/98/928117498.db2.gz DTYDPBMLHSXNGJ-QPJJXVBHSA-N 1 2 394.902 3.973 50 0 GHAALO O=C1CCCN1C[C@@H]([NH2+][C@H]1CCCn2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000655690690 930486919 /nfs/dbraw/zinc/48/69/19/930486919.db2.gz IRBVMYPWNFSYFT-DLBZAZTESA-N 1 2 392.425 3.690 50 0 GHAALO O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000655253477 930487206 /nfs/dbraw/zinc/48/72/06/930487206.db2.gz HAVCQITYDZLZBU-CQSZACIVSA-N 1 2 393.409 3.582 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)C4(COC)CC4)csc3C2)nc1 ZINC000426473009 529642069 /nfs/dbraw/zinc/64/20/69/529642069.db2.gz XHNBOEMJMAUWQQ-UHFFFAOYSA-N 1 2 399.560 3.515 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)C4(COC)CC4)csc3C2)nc1 ZINC000426473009 529642071 /nfs/dbraw/zinc/64/20/71/529642071.db2.gz XHNBOEMJMAUWQQ-UHFFFAOYSA-N 1 2 399.560 3.515 50 0 GHAALO O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000229749178 206259809 /nfs/dbraw/zinc/25/98/09/206259809.db2.gz RMFHKUKSDVFYMO-IAGOWNOFSA-N 1 2 380.410 3.803 50 0 GHAALO O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000229749178 206259813 /nfs/dbraw/zinc/25/98/13/206259813.db2.gz RMFHKUKSDVFYMO-IAGOWNOFSA-N 1 2 380.410 3.803 50 0 GHAALO COc1ccc2c(c1)O[C@@H](C)C[N@@H+](CCNC(=O)c1cc(Cl)ccc1F)C2 ZINC000014880877 207031547 /nfs/dbraw/zinc/03/15/47/207031547.db2.gz DLTNYQGRFMNDAA-ZDUSSCGKSA-N 1 2 392.858 3.501 50 0 GHAALO COc1ccc2c(c1)O[C@@H](C)C[N@H+](CCNC(=O)c1cc(Cl)ccc1F)C2 ZINC000014880877 207031550 /nfs/dbraw/zinc/03/15/50/207031550.db2.gz DLTNYQGRFMNDAA-ZDUSSCGKSA-N 1 2 392.858 3.501 50 0 GHAALO C[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018049126 207092731 /nfs/dbraw/zinc/09/27/31/207092731.db2.gz UTQYGKAMPZTGNC-AUUYWEPGSA-N 1 2 392.484 3.553 50 0 GHAALO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1F)c1nc(-c2ccncc2)no1 ZINC000019112445 207102937 /nfs/dbraw/zinc/10/29/37/207102937.db2.gz CBNDLCBAEXFLJN-LLVKDONJSA-N 1 2 382.374 3.651 50 0 GHAALO COc1cc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000019549848 207130068 /nfs/dbraw/zinc/13/00/68/207130068.db2.gz WDAFIMCUQLVWDJ-UHFFFAOYSA-N 1 2 390.911 3.684 50 0 GHAALO COc1cc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000019549848 207130071 /nfs/dbraw/zinc/13/00/71/207130071.db2.gz WDAFIMCUQLVWDJ-UHFFFAOYSA-N 1 2 390.911 3.684 50 0 GHAALO CCn1ccnc1C[NH+]1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000019792364 207160166 /nfs/dbraw/zinc/16/01/66/207160166.db2.gz QAYPQASEALZYFX-UHFFFAOYSA-N 1 2 396.535 3.573 50 0 GHAALO O=C(Nc1ccc(Br)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019762070 207161652 /nfs/dbraw/zinc/16/16/52/207161652.db2.gz QCKOGQTVQGVQOF-UHFFFAOYSA-N 1 2 375.266 3.534 50 0 GHAALO c1ccc(C[N@@H+]2CCc3c(sc4ncn5nc(-c6ccncc6)nc5c34)C2)cc1 ZINC000020057897 207176220 /nfs/dbraw/zinc/17/62/20/207176220.db2.gz ARPSKMOPJCTIEZ-UHFFFAOYSA-N 1 2 398.495 3.959 50 0 GHAALO c1ccc(C[N@H+]2CCc3c(sc4ncn5nc(-c6ccncc6)nc5c34)C2)cc1 ZINC000020057897 207176224 /nfs/dbraw/zinc/17/62/24/207176224.db2.gz ARPSKMOPJCTIEZ-UHFFFAOYSA-N 1 2 398.495 3.959 50 0 GHAALO Cc1ccc(C)c(NC(=S)N(CCC[NH+]2CCOCC2)Cc2ccccn2)c1 ZINC000020107794 207177167 /nfs/dbraw/zinc/17/71/67/207177167.db2.gz JGWZGFOFLQPZRT-UHFFFAOYSA-N 1 2 398.576 3.620 50 0 GHAALO CCn1c[nH+]cc1Cn1ccc(-c2cccc(-c3ccc(C(=O)N(C)C)o3)c2)n1 ZINC000020201944 207182120 /nfs/dbraw/zinc/18/21/20/207182120.db2.gz PTLFRSPLZMPURL-UHFFFAOYSA-N 1 2 389.459 3.777 50 0 GHAALO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000020259140 207187073 /nfs/dbraw/zinc/18/70/73/207187073.db2.gz YPDNHFSOUCTHAH-UHFFFAOYSA-N 1 2 389.883 3.707 50 0 GHAALO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC000020419397 207191242 /nfs/dbraw/zinc/19/12/42/207191242.db2.gz GPWQMLHPZKNNRI-HNNXBMFYSA-N 1 2 381.451 3.816 50 0 GHAALO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC000020419397 207191247 /nfs/dbraw/zinc/19/12/47/207191247.db2.gz GPWQMLHPZKNNRI-HNNXBMFYSA-N 1 2 381.451 3.816 50 0 GHAALO C[N@@H+]1CCc2c(sc3ncn4nc(COc5ccccc5Cl)nc4c23)C1 ZINC000020566877 207202152 /nfs/dbraw/zinc/20/21/52/207202152.db2.gz UJCWOBZPHURRNN-UHFFFAOYSA-N 1 2 385.880 3.559 50 0 GHAALO C[N@H+]1CCc2c(sc3ncn4nc(COc5ccccc5Cl)nc4c23)C1 ZINC000020566877 207202157 /nfs/dbraw/zinc/20/21/57/207202157.db2.gz UJCWOBZPHURRNN-UHFFFAOYSA-N 1 2 385.880 3.559 50 0 GHAALO CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccnnc2)n2c3ccccc3[nH+]c2N1 ZINC000020568959 207204205 /nfs/dbraw/zinc/20/42/05/207204205.db2.gz VYXXAGGLPQYRHD-HXUWFJFHSA-N 1 2 382.427 3.754 50 0 GHAALO C[C@H](c1nnc(SCC(=O)OC(C)(C)C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000022718681 207260075 /nfs/dbraw/zinc/26/00/75/207260075.db2.gz JKDBSOQNDUWISD-GFCCVEGCSA-N 1 2 396.944 3.977 50 0 GHAALO Cc1cc(C(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)n1C1CC1 ZINC000022777572 207261815 /nfs/dbraw/zinc/26/18/15/207261815.db2.gz PNAPLQBGUALZPB-RMKNXTFCSA-N 1 2 377.532 3.954 50 0 GHAALO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022772759 207261852 /nfs/dbraw/zinc/26/18/52/207261852.db2.gz UPGIELPGEYXOKG-JAGOQAECSA-N 1 2 391.559 3.626 50 0 GHAALO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000022772759 207261855 /nfs/dbraw/zinc/26/18/55/207261855.db2.gz UPGIELPGEYXOKG-JAGOQAECSA-N 1 2 391.559 3.626 50 0 GHAALO Cc1cc(CNC(=O)c2ccc([C@@H]3CCC[N@@H+]3Cc3nccs3)s2)[nH]n1 ZINC000023158455 207271010 /nfs/dbraw/zinc/27/10/10/207271010.db2.gz PGLKYHRLKXGBLZ-AWEZNQCLSA-N 1 2 387.534 3.503 50 0 GHAALO Cc1cc(CNC(=O)c2ccc([C@@H]3CCC[N@H+]3Cc3nccs3)s2)[nH]n1 ZINC000023158455 207271013 /nfs/dbraw/zinc/27/10/13/207271013.db2.gz PGLKYHRLKXGBLZ-AWEZNQCLSA-N 1 2 387.534 3.503 50 0 GHAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1 ZINC000023762463 207283022 /nfs/dbraw/zinc/28/30/22/207283022.db2.gz RQKZBVGKQUVMJK-UHFFFAOYSA-N 1 2 384.545 3.984 50 0 GHAALO CSCc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cc1 ZINC000024258099 207289673 /nfs/dbraw/zinc/28/96/73/207289673.db2.gz ABNUTUPWMPUUMM-NRFANRHFSA-N 1 2 384.545 3.661 50 0 GHAALO CC(=O)c1ccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000025661462 207306459 /nfs/dbraw/zinc/30/64/59/207306459.db2.gz NNFQAOVMRRIKGL-OAQYLSRUSA-N 1 2 379.456 3.924 50 0 GHAALO CC(=O)c1ccc(OC[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000025661462 207306463 /nfs/dbraw/zinc/30/64/63/207306463.db2.gz NNFQAOVMRRIKGL-OAQYLSRUSA-N 1 2 379.456 3.924 50 0 GHAALO O=C(NCc1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000025987943 207309479 /nfs/dbraw/zinc/30/94/79/207309479.db2.gz CFAUKSAZEPTVNS-UHFFFAOYSA-N 1 2 383.439 3.794 50 0 GHAALO C[N@H+](CCC(=O)Nc1cccc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1 ZINC000028845469 207349887 /nfs/dbraw/zinc/34/98/87/207349887.db2.gz CYXAVXLUWWKDEC-UHFFFAOYSA-N 1 2 386.455 3.537 50 0 GHAALO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)Cc1nc2ccccc2c(=O)[nH]1 ZINC000028845469 207349889 /nfs/dbraw/zinc/34/98/89/207349889.db2.gz CYXAVXLUWWKDEC-UHFFFAOYSA-N 1 2 386.455 3.537 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)NCCc1cccc(Cl)c1)c1ccccc1F ZINC000029338256 207360826 /nfs/dbraw/zinc/36/08/26/207360826.db2.gz SLIGPQLCTLGTOV-GOSISDBHSA-N 1 2 386.858 3.844 50 0 GHAALO CC(C)Sc1ccccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000040159730 207360931 /nfs/dbraw/zinc/36/09/31/207360931.db2.gz HJTSZDZANQBFTD-LJQANCHMSA-N 1 2 384.545 3.818 50 0 GHAALO CC(C)Sc1ccccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000040159730 207360940 /nfs/dbraw/zinc/36/09/40/207360940.db2.gz HJTSZDZANQBFTD-LJQANCHMSA-N 1 2 384.545 3.818 50 0 GHAALO CCCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000034906589 207478685 /nfs/dbraw/zinc/47/86/85/207478685.db2.gz ZKXSADFVQFKDME-UHFFFAOYSA-N 1 2 376.504 3.979 50 0 GHAALO Cc1c[nH+]c(C)nc1N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000067435191 207890383 /nfs/dbraw/zinc/89/03/83/207890383.db2.gz RVQDCBYAVGBFSR-UHFFFAOYSA-N 1 2 379.426 3.934 50 0 GHAALO COc1ccc2cc(C[N@@H+]3CCNC(=O)[C@H]3C)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072417783 208020645 /nfs/dbraw/zinc/02/06/45/208020645.db2.gz KFUUQIMFNNAXEF-CQSZACIVSA-N 1 2 395.890 3.884 50 0 GHAALO COc1ccc2cc(C[N@H+]3CCNC(=O)[C@H]3C)c(-c3ccc(Cl)cc3)nc2c1 ZINC000072417783 208020652 /nfs/dbraw/zinc/02/06/52/208020652.db2.gz KFUUQIMFNNAXEF-CQSZACIVSA-N 1 2 395.890 3.884 50 0 GHAALO Cc1c(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)c2cc(O)ccc2n1C ZINC000082108905 208081160 /nfs/dbraw/zinc/08/11/60/208081160.db2.gz BZGYXNKZIGMGKX-QGZVFWFLSA-N 1 2 392.503 3.819 50 0 GHAALO COc1ccc2[nH]c(C(=O)N3CCC(c4[nH+]ccn4CC4CC4)CC3)cc2c1 ZINC000095367500 208163922 /nfs/dbraw/zinc/16/39/22/208163922.db2.gz DAITWNDCLUOFAC-UHFFFAOYSA-N 1 2 378.476 3.803 50 0 GHAALO O=C(c1ccc(F)c(F)c1)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095389138 208174703 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Cc1cccc(NC(=O)c2c(NC(=O)C[NH+]3CCCC3)sc3c2CCC3)c1 ZINC000004554482 570881261 /nfs/dbraw/zinc/88/12/61/570881261.db2.gz RFEFQJXSMNBRNK-UHFFFAOYSA-N 1 2 383.517 3.832 50 0 GHAALO O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2)N1CCC[NH+]1CCOCC1 ZINC000012608795 570890002 /nfs/dbraw/zinc/89/00/02/570890002.db2.gz ABXICPPDDJEODU-HXUWFJFHSA-N 1 2 385.895 3.629 50 0 GHAALO COc1cc(OC)c(NC(=O)N2CC[NH+](Cc3ccc(C)o3)CC2)cc1Cl ZINC000013322893 570895315 /nfs/dbraw/zinc/89/53/15/570895315.db2.gz RWJLXJLMCJVHCF-UHFFFAOYSA-N 1 2 393.871 3.608 50 0 GHAALO Cc1ccc(Cl)cc1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000033280295 570954201 /nfs/dbraw/zinc/95/42/01/570954201.db2.gz RVPJOHAMFYTBBN-UHFFFAOYSA-N 1 2 376.913 3.918 50 0 GHAALO CCNc1cc(N2CCC[C@H](CCC(=O)N[C@H](C)c3cccs3)C2)nc[nH+]1 ZINC000106482792 570963847 /nfs/dbraw/zinc/96/38/47/570963847.db2.gz ZFGZKIUTWPIBDL-HZPDHXFCSA-N 1 2 387.553 3.844 50 0 GHAALO CCNc1cc(N2CCC[C@H](CCC(=O)N[C@H](C)c3cccs3)C2)[nH+]cn1 ZINC000106482792 570963852 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COc1cc(SC)ccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000014241232 207017592 /nfs/dbraw/zinc/01/75/92/207017592.db2.gz LTYLLCRDGUJNSC-RMKNXTFCSA-N 1 2 382.529 3.888 50 0 GHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)CCOc2ccccc2F)c1C ZINC000014252099 207018813 /nfs/dbraw/zinc/01/88/13/207018813.db2.gz SEIARXDTBLQIFG-OAHLLOKOSA-N 1 2 390.455 3.529 50 0 GHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)CCOc2ccccc2F)c1C ZINC000014252099 207018818 /nfs/dbraw/zinc/01/88/18/207018818.db2.gz SEIARXDTBLQIFG-OAHLLOKOSA-N 1 2 390.455 3.529 50 0 GHAALO COc1cc(C[N@@H+]2CCOc3c(O)cc(-c4ccccn4)cc3C2)cc(OC)c1 ZINC000014985754 207039216 /nfs/dbraw/zinc/03/92/16/207039216.db2.gz SZGUZQWBFGTYKL-UHFFFAOYSA-N 1 2 392.455 3.866 50 0 GHAALO COc1cc(C[N@H+]2CCOc3c(O)cc(-c4ccccn4)cc3C2)cc(OC)c1 ZINC000014985754 207039220 /nfs/dbraw/zinc/03/92/20/207039220.db2.gz SZGUZQWBFGTYKL-UHFFFAOYSA-N 1 2 392.455 3.866 50 0 GHAALO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000015065206 207042320 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COc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c(OC)c1OC ZINC000019552825 207133078 /nfs/dbraw/zinc/13/30/78/207133078.db2.gz RNZNKRGDCVNMEA-UHFFFAOYSA-N 1 2 390.911 3.684 50 0 GHAALO O=C(Nc1cccc(Br)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019760739 207159875 /nfs/dbraw/zinc/15/98/75/207159875.db2.gz IEXQUAMQSIGSPM-UHFFFAOYSA-N 1 2 375.266 3.534 50 0 GHAALO CC(C)(C)c1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019866728 207168005 /nfs/dbraw/zinc/16/80/05/207168005.db2.gz BSRDPBGRRBTFIE-UHFFFAOYSA-N 1 2 380.488 3.671 50 0 GHAALO COc1cccc(C[NH+]2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c1 ZINC000020080093 207178109 /nfs/dbraw/zinc/17/81/09/207178109.db2.gz MUCXDBHUZXMZIH-UHFFFAOYSA-N 1 2 390.483 3.572 50 0 GHAALO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1CN1CCOCC1 ZINC000021719834 207236523 /nfs/dbraw/zinc/23/65/23/207236523.db2.gz PBUWKUZFMVVNAG-NRFANRHFSA-N 1 2 399.535 3.976 50 0 GHAALO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1CN1CCOCC1 ZINC000021719834 207236529 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393.535 3.925 50 0 GHAALO CCN(CC)c1cc(CCC(=O)N2CCN(c3cccc(C)c3)CC2)cc[nH+]1 ZINC000065270009 136162187 /nfs/dbraw/zinc/16/21/87/136162187.db2.gz HYMUDRXAUWOWKE-UHFFFAOYSA-N 1 2 380.536 3.518 50 0 GHAALO Cc1cccc(N2C[C@H](C)[N@@H+](Cc3c[nH]nc3-c3cccc(F)c3)CC2=O)c1 ZINC000082098745 136173594 /nfs/dbraw/zinc/17/35/94/136173594.db2.gz KYWLALROEVSBLI-INIZCTEOSA-N 1 2 378.451 3.762 50 0 GHAALO Cc1cccc(N2C[C@H](C)[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)CC2=O)c1 ZINC000082098745 136173595 /nfs/dbraw/zinc/17/35/95/136173595.db2.gz KYWLALROEVSBLI-INIZCTEOSA-N 1 2 378.451 3.762 50 0 GHAALO CCC(=O)N1CCN(c2nc(C3CC3)[nH+]c(C)c2Cc2ccc(C)cc2)CC1 ZINC000096317175 136186462 /nfs/dbraw/zinc/18/64/62/136186462.db2.gz ARQASTFTHIUAOX-UHFFFAOYSA-N 1 2 378.520 3.620 50 0 GHAALO O=C(NCc1nc(-c2ccccc2)cs1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000097679922 136188550 /nfs/dbraw/zinc/18/85/50/136188550.db2.gz YVDVNDCAGRLQNP-KRWDZBQOSA-N 1 2 378.501 3.738 50 0 GHAALO CC1(C)C[C@]1(C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1F 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O=S(=O)(c1ccccc1)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000090560559 570380233 /nfs/dbraw/zinc/38/02/33/570380233.db2.gz FURBILDWMADOTE-UHFFFAOYSA-N 1 2 381.501 3.651 50 0 GHAALO Cc1cccc(C)c1OC1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000043476075 570407954 /nfs/dbraw/zinc/40/79/54/570407954.db2.gz HUGHTKRPOOWIQW-UHFFFAOYSA-N 1 2 378.476 3.704 50 0 GHAALO COc1ccc(C)cc1Nc1c(C(=O)N2CCOCC2)c[nH+]c2ccccc21 ZINC000064471572 570467019 /nfs/dbraw/zinc/46/70/19/570467019.db2.gz DFEOQAIDPJTWEM-UHFFFAOYSA-N 1 2 377.444 3.768 50 0 GHAALO CC[C@@H](C)N1C(=O)[C@H](C(C)C)[NH2+]C12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000036019921 570513424 /nfs/dbraw/zinc/51/34/24/570513424.db2.gz KTWVFGHZVAPZLZ-QAPCUYQASA-N 1 2 391.943 3.527 50 0 GHAALO COc1ccc2[nH]cc(C(=O)C[NH+]3CCN(c4cccc(C)c4C)CC3)c2c1 ZINC000036080454 570529264 /nfs/dbraw/zinc/52/92/64/570529264.db2.gz RTNPSQWOPGEIKA-UHFFFAOYSA-N 1 2 377.488 3.798 50 0 GHAALO COc1ccccc1[C@@H](C)[N@H+](C)Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000072309091 570530369 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GHAALO Cc1nc([C@@H](C)NC(=O)c2cc(C[N@H+](C)Cc3ccccc3)on2)c(C)s1 ZINC000011817878 570584753 /nfs/dbraw/zinc/58/47/53/570584753.db2.gz VLIRKKSTPKZDEL-CYBMUJFWSA-N 1 2 384.505 3.871 50 0 GHAALO Cc1nc([C@@H](C)NC(=O)c2cc(C[N@@H+](C)Cc3ccccc3)on2)c(C)s1 ZINC000011817878 570584756 /nfs/dbraw/zinc/58/47/56/570584756.db2.gz VLIRKKSTPKZDEL-CYBMUJFWSA-N 1 2 384.505 3.871 50 0 GHAALO Cc1[nH+]c[nH]c1CN1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000046159496 570651230 /nfs/dbraw/zinc/65/12/30/570651230.db2.gz PQFUJCXZRLBJCM-IBGZPJMESA-N 1 2 377.448 3.509 50 0 GHAALO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000012446473 570666503 /nfs/dbraw/zinc/66/65/03/570666503.db2.gz FMXDQEZJAGEBFC-IBGZPJMESA-N 1 2 380.467 3.977 50 0 GHAALO COc1cccc(C(=O)[C@H]2CCCN(C(=O)c3cccc(-c4[nH]cc[nH+]4)c3)C2)c1 ZINC000012447465 570667352 /nfs/dbraw/zinc/66/73/52/570667352.db2.gz MVRONUJWWBOFMW-IBGZPJMESA-N 1 2 389.455 3.820 50 0 GHAALO COc1ccc(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000004341613 570676702 /nfs/dbraw/zinc/67/67/02/570676702.db2.gz CLVUTAMLCBQOSS-UHFFFAOYSA-N 1 2 394.431 3.938 50 0 GHAALO Cc1ccc(-n2cc[nH+]c2N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000012444679 570678826 /nfs/dbraw/zinc/67/88/26/570678826.db2.gz FLDUIKIWSBKXNZ-UHFFFAOYSA-N 1 2 398.869 3.936 50 0 GHAALO C[C@H](NC(=S)Nc1cccc(F)c1)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000013878798 570703446 /nfs/dbraw/zinc/70/34/46/570703446.db2.gz DNWDKRSFUCOBDM-SUMWQHHRSA-N 1 2 379.526 3.636 50 0 GHAALO O=C(Cc1ccc2c(c1)CCCC2)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000058414351 570732023 /nfs/dbraw/zinc/73/20/23/570732023.db2.gz FKDZNTDPADSWRV-UHFFFAOYSA-N 1 2 398.304 3.835 50 0 GHAALO Cc1cc(C)c2nc(-c3ccncc3)cc(C(=O)NCCCn3cc[nH+]c3)c2c1 ZINC000013281903 570752405 /nfs/dbraw/zinc/75/24/05/570752405.db2.gz WSDKPEIQAWDKAK-UHFFFAOYSA-N 1 2 385.471 3.930 50 0 GHAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000052537506 570753163 /nfs/dbraw/zinc/75/31/63/570753163.db2.gz HKUOIEZXFHUMIP-UHFFFAOYSA-N 1 2 382.266 3.893 50 0 GHAALO C[C@@H](C(=O)Nc1ccc(F)cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022019123 570777326 /nfs/dbraw/zinc/77/73/26/570777326.db2.gz UDHRKQKDBOKZHG-HNNXBMFYSA-N 1 2 375.875 3.624 50 0 GHAALO Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)C3(Cn4cc[nH+]c4)CC3)C2)cc1 ZINC000067472976 570780605 /nfs/dbraw/zinc/78/06/05/570780605.db2.gz HFIAYRALQNJPHA-LJQANCHMSA-N 1 2 389.503 3.768 50 0 GHAALO Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)C3(Cn4cc[nH+]c4)CC3)C2)cc1 ZINC000067472976 570780607 /nfs/dbraw/zinc/78/06/07/570780607.db2.gz HFIAYRALQNJPHA-LJQANCHMSA-N 1 2 389.503 3.768 50 0 GHAALO CC(C)c1cc(NCc2ccc[nH+]c2N2CCC[C@@H](O)C2)nc(C(F)(F)F)n1 ZINC000067605008 570783102 /nfs/dbraw/zinc/78/31/02/570783102.db2.gz RLNJIRBYSJTSOM-CQSZACIVSA-N 1 2 395.429 3.587 50 0 GHAALO Cc1oc2c(c1C(=O)NCc1ccccn1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000065289738 570785490 /nfs/dbraw/zinc/78/54/90/570785490.db2.gz MAIBIMLXODHMFK-UHFFFAOYSA-N 1 2 379.435 3.610 50 0 GHAALO Cc1oc2c(c1C(=O)NCc1ccccn1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000065289738 570785493 /nfs/dbraw/zinc/78/54/93/570785493.db2.gz MAIBIMLXODHMFK-UHFFFAOYSA-N 1 2 379.435 3.610 50 0 GHAALO O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCc2[nH]c[nH+]c2C12CCCC2 ZINC000065293163 570786203 /nfs/dbraw/zinc/78/62/03/570786203.db2.gz WZCLKVQKZARBBI-UHFFFAOYSA-N 1 2 379.382 3.705 50 0 biogenic GHAALO CCN(Cc1[nH+]ccn1C)C(=O)c1csc2nc(-c3cccc(F)c3)cn12 ZINC000067974349 570799558 /nfs/dbraw/zinc/79/95/58/570799558.db2.gz FUFQCXBWQNSHKE-UHFFFAOYSA-N 1 2 383.452 3.598 50 0 GHAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)COc3ccc(F)cc3)cc12 ZINC000033084528 570806177 /nfs/dbraw/zinc/80/61/77/570806177.db2.gz ZGYCFQNEZGIAHO-UHFFFAOYSA-N 1 2 395.434 3.536 50 0 GHAALO COc1cc(OC)cc([C@H](NC(=O)Nc2cccc(C)c2)c2[nH+]ccn2C)c1 ZINC000012507644 570823628 /nfs/dbraw/zinc/82/36/28/570823628.db2.gz RJOYMXBSDNRMEK-IBGZPJMESA-N 1 2 380.448 3.657 50 0 GHAALO NS(=O)(=O)c1ccc(Cn2cc[nH+]c2-c2ccccc2-c2ccco2)cc1 ZINC000071639727 570841752 /nfs/dbraw/zinc/84/17/52/570841752.db2.gz AJDFOJNPXQLOMS-UHFFFAOYSA-N 1 2 379.441 3.506 50 0 GHAALO C[NH+]1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)c(F)c2)CC1 ZINC000065616543 570842991 /nfs/dbraw/zinc/84/29/91/570842991.db2.gz UEKAVLGQGFYLGK-UHFFFAOYSA-N 1 2 393.256 3.768 50 0 GHAALO CCc1[nH+]c2ccccc2n1Cc1noc(-c2cc(CC(C)C)[nH]c(=O)c2)n1 ZINC000170595981 570853047 /nfs/dbraw/zinc/85/30/47/570853047.db2.gz UCGCYMYEEGPTIW-UHFFFAOYSA-N 1 2 377.448 3.996 50 0 GHAALO CC(=O)c1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012587123 570882274 /nfs/dbraw/zinc/88/22/74/570882274.db2.gz DSUVSKHDAROJPL-UHFFFAOYSA-N 1 2 379.504 3.950 50 0 GHAALO CC(=O)c1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000012587123 570882276 /nfs/dbraw/zinc/88/22/76/570882276.db2.gz DSUVSKHDAROJPL-UHFFFAOYSA-N 1 2 379.504 3.950 50 0 GHAALO CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000013323396 570895232 /nfs/dbraw/zinc/89/52/32/570895232.db2.gz GNGPXKGYLHKYIT-HKUYNNGSSA-N 1 2 375.532 3.669 50 0 GHAALO CCOc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cn1 ZINC000044833734 570977279 /nfs/dbraw/zinc/97/72/79/570977279.db2.gz JNLYUHMKUWDRCA-UHFFFAOYSA-N 1 2 394.500 3.747 50 0 GHAALO CCOc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cn1 ZINC000044833734 570977281 /nfs/dbraw/zinc/97/72/81/570977281.db2.gz JNLYUHMKUWDRCA-UHFFFAOYSA-N 1 2 394.500 3.747 50 0 GHAALO COc1cc(Br)c(OC)c(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)c1 ZINC000012763337 571014162 /nfs/dbraw/zinc/01/41/62/571014162.db2.gz CGCDHYXMRFSVAS-UHFFFAOYSA-N 1 2 390.237 3.903 50 0 GHAALO COc1cc(Br)c(OC)c(C(=O)Nc2ccc3[nH+]c(C)[nH]c3c2)c1 ZINC000012763337 571014166 /nfs/dbraw/zinc/01/41/66/571014166.db2.gz CGCDHYXMRFSVAS-UHFFFAOYSA-N 1 2 390.237 3.903 50 0 GHAALO C[C@@H]1c2cccn2CC[N@H+]1C[C@H](O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000037477427 571016267 /nfs/dbraw/zinc/01/62/67/571016267.db2.gz QXCAXSSGNYCGMS-NQIIRXRSSA-N 1 2 390.483 3.536 50 0 GHAALO C[C@@H]1c2cccn2CC[N@@H+]1C[C@H](O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000037477427 571016269 /nfs/dbraw/zinc/01/62/69/571016269.db2.gz QXCAXSSGNYCGMS-NQIIRXRSSA-N 1 2 390.483 3.536 50 0 GHAALO COC(=O)c1c(NC(=O)C[N@H+](C)Cc2ccc(F)cc2)sc2c1CCCC2 ZINC000012786415 571039380 /nfs/dbraw/zinc/03/93/80/571039380.db2.gz QQDVCNBPOJPZMC-UHFFFAOYSA-N 1 2 390.480 3.623 50 0 GHAALO COC(=O)c1c(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)sc2c1CCCC2 ZINC000012786415 571039381 /nfs/dbraw/zinc/03/93/81/571039381.db2.gz QQDVCNBPOJPZMC-UHFFFAOYSA-N 1 2 390.480 3.623 50 0 GHAALO O=C(NCCSc1ccc(Cl)cc1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000584889047 841165764 /nfs/dbraw/zinc/16/57/64/841165764.db2.gz WMRREBOUPXASIW-UHFFFAOYSA-N 1 2 378.929 3.750 50 0 GHAALO Cc1ccccc1N1CCN(C(=O)c2ccc(-c3ccc[nH+]c3N)cc2)[C@@H](C)C1 ZINC000584899888 841200445 /nfs/dbraw/zinc/20/04/45/841200445.db2.gz DOBZJSWHVWZPOS-SFHVURJKSA-N 1 2 386.499 3.990 50 0 GHAALO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1OC ZINC000003345425 862355999 /nfs/dbraw/zinc/35/59/99/862355999.db2.gz XJKVPZHGVWKKNQ-UHFFFAOYSA-N 1 2 380.847 3.957 50 0 GHAALO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1OC ZINC000003345425 862356020 /nfs/dbraw/zinc/35/60/20/862356020.db2.gz XJKVPZHGVWKKNQ-UHFFFAOYSA-N 1 2 380.847 3.957 50 0 GHAALO Cc1cc(N2CCN(C(=O)NCc3cc4ccccc4o3)CC2)nc(C(C)C)[nH+]1 ZINC000123204607 856101631 /nfs/dbraw/zinc/10/16/31/856101631.db2.gz UTCXEWAKTLXPFV-UHFFFAOYSA-N 1 2 393.491 3.686 50 0 GHAALO COC(=O)c1oc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1C ZINC000040120205 856670523 /nfs/dbraw/zinc/67/05/23/856670523.db2.gz WHABXPPAYRBHQF-UHFFFAOYSA-N 1 2 377.387 3.748 50 0 GHAALO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(Cl)cc(Cl)c1 ZINC000032247950 862864157 /nfs/dbraw/zinc/86/41/57/862864157.db2.gz RCEJHOIABURRML-SFHVURJKSA-N 1 2 379.287 3.624 50 0 GHAALO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(Cl)cc(Cl)c1 ZINC000032247950 862864177 /nfs/dbraw/zinc/86/41/77/862864177.db2.gz RCEJHOIABURRML-SFHVURJKSA-N 1 2 379.287 3.624 50 0 GHAALO Fc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccc(Cn3cccn3)cc2)cc1 ZINC000009335638 857141037 /nfs/dbraw/zinc/14/10/37/857141037.db2.gz VTXGUOFERYDOHG-UHFFFAOYSA-N 1 2 399.433 3.812 50 0 GHAALO COc1ccccc1-c1noc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000009366250 857167690 /nfs/dbraw/zinc/16/76/90/857167690.db2.gz JEHKIIDQANJYKL-QGZVFWFLSA-N 1 2 393.443 3.854 50 0 GHAALO COc1ccccc1-c1noc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000009366250 857167697 /nfs/dbraw/zinc/16/76/97/857167697.db2.gz JEHKIIDQANJYKL-QGZVFWFLSA-N 1 2 393.443 3.854 50 0 GHAALO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)o2)C1)c1cccc2c1CCC2=O ZINC000825566721 864458769 /nfs/dbraw/zinc/45/87/69/864458769.db2.gz HRUZFBMPSCPMAZ-AWEZNQCLSA-N 1 2 386.879 3.704 50 0 GHAALO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)o2)C1)c1cccc2c1CCC2=O ZINC000825566721 864458775 /nfs/dbraw/zinc/45/87/75/864458775.db2.gz HRUZFBMPSCPMAZ-AWEZNQCLSA-N 1 2 386.879 3.704 50 0 GHAALO Cc1csc([C@H]2CCCN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)C2)n1 ZINC000174334363 865717304 /nfs/dbraw/zinc/71/73/04/865717304.db2.gz GSSOHRJUIRTTAD-INIZCTEOSA-N 1 2 399.495 3.866 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1C[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000575547788 866188019 /nfs/dbraw/zinc/18/80/19/866188019.db2.gz XRCVNPIWENGTJY-IBGZPJMESA-N 1 2 395.528 3.959 50 0 GHAALO CCn1nccc1C(=O)N1CCC[C@H](Cn2c(C)c[nH+]c2-c2ccccc2)C1 ZINC000581807050 870036502 /nfs/dbraw/zinc/03/65/02/870036502.db2.gz HUVBCTRGGUHSIH-SFHVURJKSA-N 1 2 377.492 3.627 50 0 GHAALO COc1ccccc1Oc1ccc(NC(=O)CC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000952991003 904676977 /nfs/dbraw/zinc/67/69/77/904676977.db2.gz YWHBLLLTZZUMSR-SFHVURJKSA-N 1 2 397.519 3.842 50 0 GHAALO Cc1ccc(-c2noc(CCC(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)n2)cc1F ZINC000078737293 923468089 /nfs/dbraw/zinc/46/80/89/923468089.db2.gz FPKXSUDSSQRTDG-KRWDZBQOSA-N 1 2 399.470 3.544 50 0 GHAALO O=C(/C=C/c1ccccc1Cl)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000253402443 206282529 /nfs/dbraw/zinc/28/25/29/206282529.db2.gz OJBFMGLXGRRFJV-IWAYRVGRSA-N 1 2 376.909 3.853 50 0 GHAALO CCOC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(C)CC1)C[C@H](C)CC2 ZINC000000710242 206317891 /nfs/dbraw/zinc/31/78/91/206317891.db2.gz LBJGYODXAYQBER-CQSZACIVSA-N 1 2 378.538 3.720 50 0 GHAALO Cc1cc(N)nc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[nH+]1 ZINC000009118069 206306395 /nfs/dbraw/zinc/30/63/95/206306395.db2.gz PGPXBPQCDUYCBN-UHFFFAOYSA-N 1 2 396.520 3.581 50 0 GHAALO COc1ccc2cc(C(=O)NCc3ccccc3C[NH+]3CCOCC3)ccc2c1 ZINC000014229196 207016357 /nfs/dbraw/zinc/01/63/57/207016357.db2.gz DDGHEKAAFMWHTM-UHFFFAOYSA-N 1 2 390.483 3.611 50 0 GHAALO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000015301260 207049143 /nfs/dbraw/zinc/04/91/43/207049143.db2.gz HNXWSUWDWWBJKV-GOSISDBHSA-N 1 2 393.443 3.854 50 0 GHAALO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000015301260 207049149 /nfs/dbraw/zinc/04/91/49/207049149.db2.gz HNXWSUWDWWBJKV-GOSISDBHSA-N 1 2 393.443 3.854 50 0 GHAALO O=C(NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000015882559 207067853 /nfs/dbraw/zinc/06/78/53/207067853.db2.gz IBHAIIDBDWOKFZ-JOCHJYFZSA-N 1 2 375.447 3.750 50 0 GHAALO O=C(NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000015882559 207067857 /nfs/dbraw/zinc/06/78/57/207067857.db2.gz IBHAIIDBDWOKFZ-JOCHJYFZSA-N 1 2 375.447 3.750 50 0 GHAALO COC(=O)c1sccc1NC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000017080490 207083428 /nfs/dbraw/zinc/08/34/28/207083428.db2.gz KQMLQVKJPLLVTL-UHFFFAOYSA-N 1 2 393.896 3.538 50 0 GHAALO C[N@@H+]1CCN(C(=O)c2cc(Cc3ccc(F)cc3)no2)[C@@H](c2ccccc2)C1 ZINC000019838762 207167149 /nfs/dbraw/zinc/16/71/49/207167149.db2.gz GVUDBEZXWLYTHJ-HXUWFJFHSA-N 1 2 379.435 3.533 50 0 GHAALO C[N@H+]1CCN(C(=O)c2cc(Cc3ccc(F)cc3)no2)[C@@H](c2ccccc2)C1 ZINC000019838762 207167152 /nfs/dbraw/zinc/16/71/52/207167152.db2.gz GVUDBEZXWLYTHJ-HXUWFJFHSA-N 1 2 379.435 3.533 50 0 GHAALO Cc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1cccs1 ZINC000020107598 207177875 /nfs/dbraw/zinc/17/78/75/207177875.db2.gz ZVSLRQSAMMYZQB-UHFFFAOYSA-N 1 2 389.590 3.978 50 0 GHAALO C[N@H+](Cc1cc(C2CC2)n[nH]1)Cc1ccc(-c2nc3c(c(=O)[nH]2)CCCC3)cc1 ZINC000020535473 207201375 /nfs/dbraw/zinc/20/13/75/207201375.db2.gz SGNIJHGFPFJLQQ-UHFFFAOYSA-N 1 2 389.503 3.548 50 0 GHAALO C[N@@H+](Cc1cc(C2CC2)n[nH]1)Cc1ccc(-c2nc3c(c(=O)[nH]2)CCCC3)cc1 ZINC000020535473 207201376 /nfs/dbraw/zinc/20/13/76/207201376.db2.gz SGNIJHGFPFJLQQ-UHFFFAOYSA-N 1 2 389.503 3.548 50 0 GHAALO Cc1cccc(C)c1OCc1nc2c3c4c(sc3ncn2n1)C[N@H+](C)CC4 ZINC000020548662 207203600 /nfs/dbraw/zinc/20/36/00/207203600.db2.gz XDPIUMUMLRPISR-UHFFFAOYSA-N 1 2 379.489 3.523 50 0 GHAALO Cc1cccc(C)c1OCc1nc2c3c4c(sc3ncn2n1)C[N@@H+](C)CC4 ZINC000020548662 207203605 /nfs/dbraw/zinc/20/36/05/207203605.db2.gz XDPIUMUMLRPISR-UHFFFAOYSA-N 1 2 379.489 3.523 50 0 GHAALO CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)NCCC(C)C)CC3)cc(C)c2c1 ZINC000021704143 207235664 /nfs/dbraw/zinc/23/56/64/207235664.db2.gz LEMMXXWMTPPKAC-UHFFFAOYSA-N 1 2 396.535 3.880 50 0 GHAALO CCCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OC)c(CN3CCOCC3)c2)no1 ZINC000021719838 207236446 /nfs/dbraw/zinc/23/64/46/207236446.db2.gz WOGMZOUCRSTWEI-JOCHJYFZSA-N 1 2 399.535 3.805 50 0 GHAALO CCCc1cc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(CN3CCOCC3)c2)no1 ZINC000021719838 207236451 /nfs/dbraw/zinc/23/64/51/207236451.db2.gz WOGMZOUCRSTWEI-JOCHJYFZSA-N 1 2 399.535 3.805 50 0 GHAALO Fc1ccc(-c2nnc(CN3CC[NH+](Cc4cccc(Cl)c4)CC3)o2)cc1 ZINC000022018975 207244560 /nfs/dbraw/zinc/24/45/60/207244560.db2.gz RGGNFUFWUKVGCB-UHFFFAOYSA-N 1 2 386.858 3.847 50 0 GHAALO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1nnc(Cc2ccccc2)s1 ZINC000023158343 207271229 /nfs/dbraw/zinc/27/12/29/207271229.db2.gz ISQPXMGDZLRUFA-UHFFFAOYSA-N 1 2 390.472 3.636 50 0 GHAALO CSc1ccccc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023263653 207271835 /nfs/dbraw/zinc/27/18/35/207271835.db2.gz QKJVYDLOXQJZKK-HNNXBMFYSA-N 1 2 375.563 3.615 50 0 GHAALO COc1ccc2c(c1)nc(SCC[NH+]1CCOCC1)n2Cc1ccccc1 ZINC000023634501 207279285 /nfs/dbraw/zinc/27/92/85/207279285.db2.gz IVIDFHLMLXSYFE-UHFFFAOYSA-N 1 2 383.517 3.518 50 0 GHAALO C[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccc(F)cc1 ZINC000024830280 207295833 /nfs/dbraw/zinc/29/58/33/207295833.db2.gz MMKQRPHIFPZGME-UHFFFAOYSA-N 1 2 378.451 3.959 50 0 GHAALO C[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccc(F)cc1 ZINC000024830280 207295837 /nfs/dbraw/zinc/29/58/37/207295837.db2.gz MMKQRPHIFPZGME-UHFFFAOYSA-N 1 2 378.451 3.959 50 0 GHAALO O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038754059 207319268 /nfs/dbraw/zinc/31/92/68/207319268.db2.gz MZGLZXUKSWOWGH-UHFFFAOYSA-N 1 2 394.381 3.795 50 0 GHAALO O=C1[C@H]2CCCC[C@@H]2C(=O)N1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000026618466 207316422 /nfs/dbraw/zinc/31/64/22/207316422.db2.gz RMFHKUKSDVFYMO-IRXDYDNUSA-N 1 2 380.410 3.803 50 0 GHAALO O=C1[C@H]2CCCC[C@@H]2C(=O)N1C[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000026618466 207316425 /nfs/dbraw/zinc/31/64/25/207316425.db2.gz RMFHKUKSDVFYMO-IRXDYDNUSA-N 1 2 380.410 3.803 50 0 GHAALO CC(C)COc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000028291010 207339214 /nfs/dbraw/zinc/33/92/14/207339214.db2.gz UQEKSLPNMGZORN-JOCHJYFZSA-N 1 2 382.504 3.525 50 0 GHAALO CCCCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)c2ccccc12 ZINC000031903890 207389333 /nfs/dbraw/zinc/38/93/33/207389333.db2.gz LUZJMCONQGUHSM-UHFFFAOYSA-N 1 2 387.505 3.584 50 0 GHAALO Cc1ccc(S(=O)(=O)c2ccc(CSc3nc(N)cc(C)[nH+]3)cc2)cc1 ZINC000032328217 207395066 /nfs/dbraw/zinc/39/50/66/207395066.db2.gz JMQBHXDNVUZANX-UHFFFAOYSA-N 1 2 385.514 3.801 50 0 GHAALO CC[C@H](C)CN1C(=O)[C@H](CC(C)C)[NH2+]C12CCN(C(=O)c1ccc(C)cc1)CC2 ZINC000036032659 207506924 /nfs/dbraw/zinc/50/69/24/207506924.db2.gz JKWQNYULLPTECA-RXVVDRJESA-N 1 2 399.579 3.820 50 0 GHAALO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000040062741 207572138 /nfs/dbraw/zinc/57/21/38/207572138.db2.gz VALQQXXFJHHGGN-QGZVFWFLSA-N 1 2 378.457 3.964 50 0 GHAALO CCCn1c2ccc(C(=O)N3CCOCC3)cc2[nH+]c1NCc1cccc(C)c1 ZINC000077504771 208047182 /nfs/dbraw/zinc/04/71/82/208047182.db2.gz OIXFLFJJGOWYAL-UHFFFAOYSA-N 1 2 392.503 3.839 50 0 GHAALO CCSc1ncc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccc(Cl)nc2)cn1 ZINC000072421676 208017801 /nfs/dbraw/zinc/01/78/01/208017801.db2.gz FYZLMBSVVQPXDI-KRWDZBQOSA-N 1 2 386.912 3.508 50 0 GHAALO Cc1nc(-n2cccc2)sc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000079493730 208074208 /nfs/dbraw/zinc/07/42/08/208074208.db2.gz GEBAJNDSAVKZEV-JXMROGBWSA-N 1 2 392.528 3.713 50 0 GHAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000091410535 208116808 /nfs/dbraw/zinc/11/68/08/208116808.db2.gz LULPESLOOSSMBP-HNNXBMFYSA-N 1 2 376.888 3.903 50 0 GHAALO CC[N@H+](C)[C@@H](C(=O)Nc1cccc(-n2c(C)n[nH]c2=S)c1)c1ccccc1 ZINC000095448364 208183934 /nfs/dbraw/zinc/18/39/34/208183934.db2.gz RTWMKOGUQMRJFC-GOSISDBHSA-N 1 2 381.505 3.870 50 0 GHAALO CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(-n2c(C)n[nH]c2=S)c1)c1ccccc1 ZINC000095448364 208183941 /nfs/dbraw/zinc/18/39/41/208183941.db2.gz RTWMKOGUQMRJFC-GOSISDBHSA-N 1 2 381.505 3.870 50 0 GHAALO O=S(=O)(c1cccc(C(F)(F)F)c1)N(CC(F)(F)F)c1cc[nH+]cc1 ZINC000095466382 208189793 /nfs/dbraw/zinc/18/97/93/208189793.db2.gz DRNMWOFYRAZKLF-UHFFFAOYSA-N 1 2 384.301 3.858 50 0 GHAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)C2(c3ccccc3)CCCC2)C1 ZINC000095509809 208210634 /nfs/dbraw/zinc/21/06/34/208210634.db2.gz ILOLFBKFCASRSD-IBGZPJMESA-N 1 2 381.520 3.748 50 0 GHAALO O=C(c1cccn1C1CC1)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095499824 208201898 /nfs/dbraw/zinc/20/18/98/208201898.db2.gz COSLHOXSSXPGQB-OAHLLOKOSA-N 1 2 381.505 3.544 50 0 GHAALO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1csc(COc2ccccc2)n1 ZINC000095957588 208243480 /nfs/dbraw/zinc/24/34/80/208243480.db2.gz ULDOYWOQAKFYQR-SFHVURJKSA-N 1 2 385.533 3.699 50 0 GHAALO O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1csc(COc2ccccc2)n1 ZINC000095957588 208243486 /nfs/dbraw/zinc/24/34/86/208243486.db2.gz ULDOYWOQAKFYQR-SFHVURJKSA-N 1 2 385.533 3.699 50 0 GHAALO O=C(NCC1CCCCC1)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095522207 208219092 /nfs/dbraw/zinc/21/90/92/208219092.db2.gz IMYOSFDLNBPCCR-HXUWFJFHSA-N 1 2 381.524 3.796 50 0 GHAALO CC(C)n1cccc1C(=O)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000095524676 208221962 /nfs/dbraw/zinc/22/19/62/208221962.db2.gz NOOOLYMDZSPPHT-UHFFFAOYSA-N 1 2 383.521 3.790 50 0 GHAALO Cc1cc(/C=C\C(=O)N2CC[NH+](Cc3ccccc3F)CC2)c(C)n1C1CC1 ZINC000096871570 208325253 /nfs/dbraw/zinc/32/52/53/208325253.db2.gz XGKXJVMGAVDAMK-YFHOEESVSA-N 1 2 381.495 3.937 50 0 GHAALO COc1cc(C)c(C[NH+]2CCN(C(=O)/C=C\c3ccccc3C)CC2)cc1OC ZINC000096871598 208325436 /nfs/dbraw/zinc/32/54/36/208325436.db2.gz HDMZCNKRMCXYLH-KTKRTIGZSA-N 1 2 394.515 3.678 50 0 GHAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Br)c1 ZINC000019683097 208804908 /nfs/dbraw/zinc/80/49/08/208804908.db2.gz LGSJQHLOZFGOPQ-UHFFFAOYSA-N 1 2 375.266 3.534 50 0 GHAALO O=C(/C=C\C1=Cc2cc(Cl)ccc2OC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000096286606 209014243 /nfs/dbraw/zinc/01/42/43/209014243.db2.gz SNEATDRDXLAOCL-UTCJRWHESA-N 1 2 392.846 3.569 50 0 GHAALO C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096594393 209014818 /nfs/dbraw/zinc/01/48/18/209014818.db2.gz HZLQQCBXJIDXQG-OTIVFRFGSA-N 1 2 384.907 3.965 50 0 GHAALO O=C(c1cccc(-c2cccc(F)c2O)c1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000299783693 209088183 /nfs/dbraw/zinc/08/81/83/209088183.db2.gz WZBYZOFNDOEKFQ-MRXNPFEDSA-N 1 2 379.435 3.947 50 0 GHAALO Cc1ccccc1N1CC[N@H+](Cc2nc(Cc3cccc(F)c3)no2)[C@H](C)C1 ZINC000015062329 221328042 /nfs/dbraw/zinc/32/80/42/221328042.db2.gz YKSSSSNGVNBDIJ-QGZVFWFLSA-N 1 2 380.467 3.819 50 0 GHAALO Cc1ccccc1N1CC[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)[C@H](C)C1 ZINC000015062329 221328045 /nfs/dbraw/zinc/32/80/45/221328045.db2.gz YKSSSSNGVNBDIJ-QGZVFWFLSA-N 1 2 380.467 3.819 50 0 GHAALO Cc1cccc(NC(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000058158062 136154541 /nfs/dbraw/zinc/15/45/41/136154541.db2.gz PJYZHSNUNQCSSD-UHFFFAOYSA-N 1 2 377.410 3.775 50 0 GHAALO C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000058165271 136154637 /nfs/dbraw/zinc/15/46/37/136154637.db2.gz NCIDMIAEFIZBGD-QGZVFWFLSA-N 1 2 383.923 3.830 50 0 GHAALO O=C(Nc1ccc(Cl)cc1)c1cn(-c2cc(N3CCCCC3)[nH+]cn2)cn1 ZINC000065239849 136161011 /nfs/dbraw/zinc/16/10/11/136161011.db2.gz GARFGTCFIAKYTJ-UHFFFAOYSA-N 1 2 382.855 3.558 50 0 GHAALO Cc1cccc(NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)c1 ZINC000065245170 136161589 /nfs/dbraw/zinc/16/15/89/136161589.db2.gz HXRJTVUUTUIYGK-KRWDZBQOSA-N 1 2 379.508 3.995 50 0 GHAALO Cc1cccc(NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)c1 ZINC000065245170 136161590 /nfs/dbraw/zinc/16/15/90/136161590.db2.gz HXRJTVUUTUIYGK-KRWDZBQOSA-N 1 2 379.508 3.995 50 0 GHAALO COCc1noc(-c2ccc(N3CCC[C@H](c4[nH]c5ccccc5[nH+]4)C3)nc2)n1 ZINC000072477531 136171412 /nfs/dbraw/zinc/17/14/12/136171412.db2.gz VSKMPIMLZHOZPB-HNNXBMFYSA-N 1 2 390.447 3.538 50 0 GHAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4ccc(O)cc4)CC3)c2cc1Cl ZINC000089609043 136175678 /nfs/dbraw/zinc/17/56/78/136175678.db2.gz RQZKNEADAFZILQ-UHFFFAOYSA-N 1 2 384.863 3.783 50 0 GHAALO COc1ccccc1NC(=O)C[NH+]1CCC(c2nc(-c3cccs3)no2)CC1 ZINC000065184203 222107369 /nfs/dbraw/zinc/10/73/69/222107369.db2.gz RGEGJIYACQOZBW-UHFFFAOYSA-N 1 2 398.488 3.625 50 0 GHAALO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)s1 ZINC000048332366 520361409 /nfs/dbraw/zinc/36/14/09/520361409.db2.gz UNUHJIKPXPVUSZ-UHFFFAOYSA-N 1 2 393.940 3.699 50 0 GHAALO CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)s1 ZINC000048332366 520361414 /nfs/dbraw/zinc/36/14/14/520361414.db2.gz UNUHJIKPXPVUSZ-UHFFFAOYSA-N 1 2 393.940 3.699 50 0 GHAALO CCNc1cc(N2CCC[C@H](CCC(=O)NCc3cccc(C)c3)C2)nc[nH+]1 ZINC000065245008 535520020 /nfs/dbraw/zinc/52/00/20/535520020.db2.gz XOFVXAKDXMMIHE-GOSISDBHSA-N 1 2 381.524 3.530 50 0 GHAALO CCNc1cc(N2CCC[C@H](CCC(=O)NCc3cccc(C)c3)C2)[nH+]cn1 ZINC000065245008 535520027 /nfs/dbraw/zinc/52/00/27/535520027.db2.gz XOFVXAKDXMMIHE-GOSISDBHSA-N 1 2 381.524 3.530 50 0 GHAALO CCn1c(C[N@H+](C)C[C@@H]2CN(CC)c3ccccc3O2)nc2cc(F)ccc21 ZINC000069876711 535981501 /nfs/dbraw/zinc/98/15/01/535981501.db2.gz CVYBKVIOMGWDKG-QGZVFWFLSA-N 1 2 382.483 3.915 50 0 GHAALO CCn1c(C[N@@H+](C)C[C@@H]2CN(CC)c3ccccc3O2)nc2cc(F)ccc21 ZINC000069876711 535981503 /nfs/dbraw/zinc/98/15/03/535981503.db2.gz CVYBKVIOMGWDKG-QGZVFWFLSA-N 1 2 382.483 3.915 50 0 GHAALO CC1CCC(NC(=O)C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)CC1 ZINC000047797580 570215276 /nfs/dbraw/zinc/21/52/76/570215276.db2.gz VELPAYQNFXOLLF-UHFFFAOYSA-N 1 2 378.463 3.554 50 0 GHAALO CCOc1c(Cl)cc(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1OC ZINC000112670237 570254351 /nfs/dbraw/zinc/25/43/51/570254351.db2.gz DWBMYMSPGRZOKT-UHFFFAOYSA-N 1 2 391.899 3.803 50 0 GHAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc(F)ccc1Br)C2 ZINC000112666922 570254371 /nfs/dbraw/zinc/25/43/71/570254371.db2.gz OERYRFCQGWHNML-UHFFFAOYSA-N 1 2 380.261 3.644 50 0 GHAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)cc1 ZINC000049003148 570261840 /nfs/dbraw/zinc/26/18/40/570261840.db2.gz PYNUXIWDEZFCLL-UHFFFAOYSA-N 1 2 395.890 3.795 50 0 GHAALO Cc1ccc(NC(=O)C[N@H+]2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)cc1 ZINC000049003148 570261843 /nfs/dbraw/zinc/26/18/43/570261843.db2.gz PYNUXIWDEZFCLL-UHFFFAOYSA-N 1 2 395.890 3.795 50 0 GHAALO CCCCc1noc(C[NH+]2CCC3(C[C@@H]3c3nc(-c4cccnc4)no3)CC2)n1 ZINC000071890636 570276032 /nfs/dbraw/zinc/27/60/32/570276032.db2.gz PVCNTEXGTWERJD-MRXNPFEDSA-N 1 2 394.479 3.627 50 0 GHAALO COc1ccc(Cl)cc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2)CC1 ZINC000034668237 570292935 /nfs/dbraw/zinc/29/29/35/570292935.db2.gz ODIZBXJZOIJAGL-INIZCTEOSA-N 1 2 387.911 3.806 50 0 GHAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)Nc1ccc(F)cc1F ZINC000035403962 570351474 /nfs/dbraw/zinc/35/14/74/570351474.db2.gz KZXDSEVUJPVSFE-UHFFFAOYSA-N 1 2 394.425 3.878 50 0 GHAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)Nc1ccc(F)cc1F ZINC000035403962 570351475 /nfs/dbraw/zinc/35/14/75/570351475.db2.gz KZXDSEVUJPVSFE-UHFFFAOYSA-N 1 2 394.425 3.878 50 0 GHAALO O=c1c(C[NH+]2CCN(c3ccccn3)CC2)coc2c(Cl)cc(Cl)cc12 ZINC000023281907 570353907 /nfs/dbraw/zinc/35/39/07/570353907.db2.gz AUIILPGBWAPJEF-UHFFFAOYSA-N 1 2 390.270 3.817 50 0 GHAALO CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000004334914 570368968 /nfs/dbraw/zinc/36/89/68/570368968.db2.gz MVSAADYNNLGYHB-UHFFFAOYSA-N 1 2 375.519 3.722 50 0 GHAALO CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000004334914 570368969 /nfs/dbraw/zinc/36/89/69/570368969.db2.gz MVSAADYNNLGYHB-UHFFFAOYSA-N 1 2 375.519 3.722 50 0 GHAALO COc1ccccc1C(=O)Nc1ccc(Nc2cc(-n3cc[nH+]c3)ncn2)cc1 ZINC000035598086 570400813 /nfs/dbraw/zinc/40/08/13/570400813.db2.gz WTRZUMGWYPMFNO-UHFFFAOYSA-N 1 2 386.415 3.667 50 0 GHAALO Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000013003223 570414353 /nfs/dbraw/zinc/41/43/53/570414353.db2.gz FVNACIMAJGDTFE-GOSISDBHSA-N 1 2 387.549 3.595 50 0 GHAALO CCOc1ccc(C[N@@H+]2CCN(Cc3cc4ccccc4o3)C[C@H]2CCO)cc1 ZINC000244794870 570433630 /nfs/dbraw/zinc/43/36/30/570433630.db2.gz QVJPVVACHWWQGB-OAQYLSRUSA-N 1 2 394.515 3.900 50 0 GHAALO CCOc1ccc(C[N@H+]2CCN(Cc3cc4ccccc4o3)C[C@H]2CCO)cc1 ZINC000244794870 570433632 /nfs/dbraw/zinc/43/36/32/570433632.db2.gz QVJPVVACHWWQGB-OAQYLSRUSA-N 1 2 394.515 3.900 50 0 GHAALO COc1cccc2c1OCCCN(C(=O)c1ccc(-c3[nH+]ccn3C)cc1)C2 ZINC000426632936 570503548 /nfs/dbraw/zinc/50/35/48/570503548.db2.gz VGUUQXCKWJCZDC-UHFFFAOYSA-N 1 2 377.444 3.521 50 0 GHAALO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)Cc1nc2ccccc2n1CC ZINC000072308268 570527498 /nfs/dbraw/zinc/52/74/98/570527498.db2.gz DXQJDYYZIKKMET-SFHVURJKSA-N 1 2 383.496 3.982 50 0 GHAALO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+](C)Cc1nc2ccccc2n1CC ZINC000072308268 570527502 /nfs/dbraw/zinc/52/75/02/570527502.db2.gz DXQJDYYZIKKMET-SFHVURJKSA-N 1 2 383.496 3.982 50 0 GHAALO Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)[N@H+](C)Cc1ccc(O)cc1 ZINC000016677730 570536523 /nfs/dbraw/zinc/53/65/23/570536523.db2.gz BJZBTDDWKYPOJD-QFIPXVFZSA-N 1 2 385.471 3.898 50 0 GHAALO Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(O)cc1 ZINC000016677730 570536527 /nfs/dbraw/zinc/53/65/27/570536527.db2.gz BJZBTDDWKYPOJD-QFIPXVFZSA-N 1 2 385.471 3.898 50 0 GHAALO C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1=O ZINC000154145987 570542835 /nfs/dbraw/zinc/54/28/35/570542835.db2.gz SUPOJVNLPNFQIZ-QFBILLFUSA-N 1 2 388.471 3.635 50 0 GHAALO Cc1c[nH]c(CN(C)C(=O)C[C@H](c2ccccc2)c2ccc3c(c2)OCO3)[nH+]1 ZINC000011663606 570578013 /nfs/dbraw/zinc/57/80/13/570578013.db2.gz PZTJHFALBYHKAA-GOSISDBHSA-N 1 2 377.444 3.627 50 0 GHAALO Cn1cc[nH+]c1CN1CCC[C@@H]1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 ZINC000011820209 570586267 /nfs/dbraw/zinc/58/62/67/570586267.db2.gz NWIVSHNSGFSRIC-HXUWFJFHSA-N 1 2 378.451 3.829 50 0 GHAALO Cc1cccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)C3CCCC3)CC2)c1 ZINC000036311491 570609674 /nfs/dbraw/zinc/60/96/74/570609674.db2.gz KIXNQZOKSKIBTL-QFIPXVFZSA-N 1 2 397.563 3.827 50 0 GHAALO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(C)cc3)n2)c(OC)c1OC ZINC000012303896 570637596 /nfs/dbraw/zinc/63/75/96/570637596.db2.gz NOZOVLMIQMPJBF-UHFFFAOYSA-N 1 2 383.448 3.703 50 0 GHAALO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(C)cc3)n2)c(OC)c1OC ZINC000012303896 570637599 /nfs/dbraw/zinc/63/75/99/570637599.db2.gz NOZOVLMIQMPJBF-UHFFFAOYSA-N 1 2 383.448 3.703 50 0 GHAALO C[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1 ZINC000012325075 570642951 /nfs/dbraw/zinc/64/29/51/570642951.db2.gz QTLUVUGKTKECIF-UHFFFAOYSA-N 1 2 398.688 3.700 50 0 GHAALO Cc1cccc(OCC(=O)NC[C@@H](c2ccc(F)cc2F)[NH+]2CCCC2)c1C ZINC000227155927 570648975 /nfs/dbraw/zinc/64/89/75/570648975.db2.gz GFGNPLMNRLQMEA-FQEVSTJZSA-N 1 2 388.458 3.914 50 0 GHAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)cc(F)cc4c(=O)c3C2)cc1C ZINC000065035026 570654290 /nfs/dbraw/zinc/65/42/90/570654290.db2.gz GBPCZTXDMPXPQQ-UHFFFAOYSA-N 1 2 393.462 3.589 50 0 GHAALO Cc1ccc(NC(=O)C[N@H+]2CCc3[nH]c4c(C)cc(F)cc4c(=O)c3C2)cc1C ZINC000065035026 570654293 /nfs/dbraw/zinc/65/42/93/570654293.db2.gz GBPCZTXDMPXPQQ-UHFFFAOYSA-N 1 2 393.462 3.589 50 0 GHAALO O=S(=O)(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000036099883 570672125 /nfs/dbraw/zinc/67/21/25/570672125.db2.gz FLPBGIBWPIJEEK-KRWDZBQOSA-N 1 2 382.888 3.595 50 0 GHAALO CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c[nH+]1 ZINC000036391237 570673507 /nfs/dbraw/zinc/67/35/07/570673507.db2.gz MIBPUWYCKZTTSK-HNNXBMFYSA-N 1 2 375.900 3.973 50 0 GHAALO CCCN(Cc1cn2cc(Cl)ccc2[nH+]1)S(=O)(=O)c1ccc(F)cc1 ZINC000012628324 570692413 /nfs/dbraw/zinc/69/24/13/570692413.db2.gz WPDJXPDHXCYSQK-UHFFFAOYSA-N 1 2 381.860 3.728 50 0 GHAALO Cc1ccc(C(=O)N2CCCC[C@H]2CCn2cc[nH+]c2)cc1NC(=O)C1CC1 ZINC000055368972 570692777 /nfs/dbraw/zinc/69/27/77/570692777.db2.gz ZPFQLFDSQJAGLN-IBGZPJMESA-N 1 2 380.492 3.625 50 0 GHAALO O=c1c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(O)[nH]c(=S)n1C1CCCCC1 ZINC000017180928 570701643 /nfs/dbraw/zinc/70/16/43/570701643.db2.gz UOFAJPGULOPCKI-GOSISDBHSA-N 1 2 396.516 3.833 50 0 biogenic GHAALO O=c1[nH]c(=S)n(C2CCCCC2)c(O)c1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000017180928 570701646 /nfs/dbraw/zinc/70/16/46/570701646.db2.gz UOFAJPGULOPCKI-GOSISDBHSA-N 1 2 396.516 3.833 50 0 biogenic GHAALO CCN(CC)c1ccc(CNC(=O)c2cc(-c3ccccc3Cl)n[nH]2)c[nH+]1 ZINC000058105801 570709230 /nfs/dbraw/zinc/70/92/30/570709230.db2.gz JUKVSUDNFOFXBS-UHFFFAOYSA-N 1 2 383.883 3.901 50 0 GHAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000585149230 570712263 /nfs/dbraw/zinc/71/22/63/570712263.db2.gz WMKSFUFNOQNCEJ-AWEZNQCLSA-N 1 2 375.881 3.634 50 0 GHAALO Cc1cc(C)cc(OCC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+](C)C)c1 ZINC000012802866 570718001 /nfs/dbraw/zinc/71/80/01/570718001.db2.gz VFKSEOYPTSOVIU-GOSISDBHSA-N 1 2 378.875 3.894 50 0 GHAALO CCOc1cc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1OC ZINC000013071402 570745061 /nfs/dbraw/zinc/74/50/61/570745061.db2.gz VCSLWOOATVKUMX-UHFFFAOYSA-N 1 2 388.895 3.705 50 0 GHAALO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)N[C@@H]1CCCc2ccccc21 ZINC000013128589 570748051 /nfs/dbraw/zinc/74/80/51/570748051.db2.gz HOAZGSKDGWAKNZ-WIYYLYMNSA-N 1 2 384.545 3.923 50 0 GHAALO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)N[C@@H]1CCCc2ccccc21 ZINC000013128589 570748055 /nfs/dbraw/zinc/74/80/55/570748055.db2.gz HOAZGSKDGWAKNZ-WIYYLYMNSA-N 1 2 384.545 3.923 50 0 GHAALO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1cccnc1)C2 ZINC000065260051 570761868 /nfs/dbraw/zinc/76/18/68/570761868.db2.gz ZCSIJMDETODDTI-QFIPXVFZSA-N 1 2 377.492 3.600 50 0 GHAALO COc1ncc(-c2c(-c3ccccc3)ncn2[C@H](c2[nH+]ccn2C)C(C)C)cn1 ZINC000065505651 570771295 /nfs/dbraw/zinc/77/12/95/570771295.db2.gz SEYSTERHIKHJTO-IBGZPJMESA-N 1 2 388.475 3.995 50 0 GHAALO Cc1ccccc1-c1cn2c(C(=O)NCc3c[nH+]cn3C3CC3)csc2n1 ZINC000067588476 570782710 /nfs/dbraw/zinc/78/27/10/570782710.db2.gz VOSVLJKLAFAMBH-UHFFFAOYSA-N 1 2 377.473 3.833 50 0 GHAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3cccs3)cc2)[nH+]1 ZINC000033078167 570804604 /nfs/dbraw/zinc/80/46/04/570804604.db2.gz GDFGEYAMAVQZGU-UHFFFAOYSA-N 1 2 395.488 3.679 50 0 GHAALO Cc1ccc(NC(=O)N2CCN(c3[nH+]c4ccccc4n3C)CC2)cc1Cl ZINC000033106497 570811092 /nfs/dbraw/zinc/81/10/92/570811092.db2.gz SVEOVFXXPZIGRH-UHFFFAOYSA-N 1 2 383.883 3.889 50 0 GHAALO Cc1cccc(C)c1-n1nnnc1SCc1[nH+]ccn1Cc1ccccc1 ZINC000032778946 570812077 /nfs/dbraw/zinc/81/20/77/570812077.db2.gz DRGQKTOPEFMNQD-UHFFFAOYSA-N 1 2 376.489 3.816 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)NCCCCc1ccccc1)c1ccc(F)cc1 ZINC000032802336 570821146 /nfs/dbraw/zinc/82/11/46/570821146.db2.gz FAEDTYABBYKDFW-HXUWFJFHSA-N 1 2 380.467 3.971 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCCCCc1ccccc1)c1cccc(F)c1 ZINC000032802411 570821256 /nfs/dbraw/zinc/82/12/56/570821256.db2.gz PWUHHTRENFAVSV-FQEVSTJZSA-N 1 2 380.467 3.971 50 0 GHAALO Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](Cc3[nH]cc[nH+]3)c3ccccc3)cc2)n1 ZINC000012507521 570823239 /nfs/dbraw/zinc/82/32/39/570823239.db2.gz MFPXETKDFJJWEU-NRFANRHFSA-N 1 2 385.471 3.926 50 0 GHAALO COc1cc[nH+]c(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1OC ZINC000071440105 570835243 /nfs/dbraw/zinc/83/52/43/570835243.db2.gz YTGGHAFIRLORKU-QGZVFWFLSA-N 1 2 383.275 3.979 50 0 GHAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000032851063 570854617 /nfs/dbraw/zinc/85/46/17/570854617.db2.gz IEZGYEIBMOHZGI-ZDUSSCGKSA-N 1 2 382.291 3.731 50 0 GHAALO COc1cc(OC)c(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000013323155 570895106 /nfs/dbraw/zinc/89/51/06/570895106.db2.gz GRXZQCKXPBKVNT-UHFFFAOYSA-N 1 2 395.912 3.768 50 0 GHAALO Cc1nc(-c2cccc(C(=O)NC[C@@H](C)n3cc[nH+]c3)c2)nc2c1CCCC2 ZINC000534632057 570910364 /nfs/dbraw/zinc/91/03/64/570910364.db2.gz GGDZAEPNHRZGPZ-OAHLLOKOSA-N 1 2 375.476 3.518 50 0 GHAALO c1nn(-c2ccccc2)c2nc[nH+]c(SC[C@H]3COc4ccccc4O3)c12 ZINC000012680803 570948744 /nfs/dbraw/zinc/94/87/44/570948744.db2.gz OSGGSXDPOIYFMD-OAHLLOKOSA-N 1 2 376.441 3.748 50 0 GHAALO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)[C@H]1C ZINC000106749443 570967247 /nfs/dbraw/zinc/96/72/47/570967247.db2.gz BUSAWCAGVPGSTE-SIFCLUCFSA-N 1 2 392.490 3.800 50 0 GHAALO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000106923312 570968859 /nfs/dbraw/zinc/96/88/59/570968859.db2.gz BXBFBOXCDAQKED-HQWTYURQSA-N 1 2 386.561 3.911 50 0 GHAALO Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000106923312 570968863 /nfs/dbraw/zinc/96/88/63/570968863.db2.gz BXBFBOXCDAQKED-HQWTYURQSA-N 1 2 386.561 3.911 50 0 GHAALO O=C(CCCOc1ccc(Cl)cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000101904775 570984978 /nfs/dbraw/zinc/98/49/78/570984978.db2.gz ZIYUHDYGISEFSR-UHFFFAOYSA-N 1 2 394.302 3.896 50 0 GHAALO CC[C@@H](NC(=O)C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000084734041 571033905 /nfs/dbraw/zinc/03/39/05/571033905.db2.gz CJZHZNSJFFQHMD-LJQANCHMSA-N 1 2 396.878 3.791 50 0 GHAALO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC1(c2ccccc2)CCCC1 ZINC000162428119 840954045 /nfs/dbraw/zinc/95/40/45/840954045.db2.gz OFHVSBPJUFPDIT-UHFFFAOYSA-N 1 2 380.492 3.818 50 0 GHAALO Cc1cccc2c(CCNC(=O)N3CCCC[C@H]3CCn3cc[nH+]c3)c[nH]c21 ZINC000584895242 841187541 /nfs/dbraw/zinc/18/75/41/841187541.db2.gz PQCVSUORTPAZQW-IBGZPJMESA-N 1 2 379.508 3.870 50 0 GHAALO Cc1ccc(CNC(=O)N2CCCC[C@H]2CCn2cc[nH+]c2)c2cccnc12 ZINC000584896059 841188778 /nfs/dbraw/zinc/18/87/78/841188778.db2.gz WAHYUOFJFRRJPE-IBGZPJMESA-N 1 2 377.492 3.894 50 0 GHAALO CC[C@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1cccc(C)n1 ZINC000584898714 841198241 /nfs/dbraw/zinc/19/82/41/841198241.db2.gz ANZMNPUYTMSHPG-HSRJRILOSA-N 1 2 378.520 3.882 50 0 GHAALO CSc1ccccc1C(=O)NC1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000225738510 861266991 /nfs/dbraw/zinc/26/69/91/861266991.db2.gz BJHYPOVYROJQAP-UHFFFAOYSA-N 1 2 396.560 3.785 50 0 GHAALO COc1ccc(C(=O)[C@@H](Cc2cc(C(C)=O)ccc2OC)[NH+]2CCCC2)cc1 ZINC000003438204 862410174 /nfs/dbraw/zinc/41/01/74/862410174.db2.gz VDXOMZUQLPEOHI-OAQYLSRUSA-N 1 2 381.472 3.796 50 0 GHAALO O=C(Nc1ccccc1OC1CCCC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000156495613 853822806 /nfs/dbraw/zinc/82/28/06/853822806.db2.gz ZTALUDQSDXBMCC-GOSISDBHSA-N 1 2 387.524 3.727 50 0 GHAALO O=c1cc(C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)nc2sccn21 ZINC000008323792 856117844 /nfs/dbraw/zinc/11/78/44/856117844.db2.gz ZJCOLABKGSAXCJ-IBGZPJMESA-N 1 2 379.510 3.965 50 0 GHAALO O=c1cc(C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)nc2sccn21 ZINC000008323792 856117847 /nfs/dbraw/zinc/11/78/47/856117847.db2.gz ZJCOLABKGSAXCJ-IBGZPJMESA-N 1 2 379.510 3.965 50 0 GHAALO COc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000009338124 857144342 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OCc1ccc(C[N@@H+]2CCOc3ccc([C@@H](O)CCc4ccccc4)cc3C2)o1 ZINC000014989144 210140002 /nfs/dbraw/zinc/14/00/02/210140002.db2.gz WHQZRXOSZDQBPL-QHCPKHFHSA-N 1 2 393.483 3.833 50 0 GHAALO OCc1ccc(C[N@H+]2CCOc3ccc([C@@H](O)CCc4ccccc4)cc3C2)o1 ZINC000014989144 210140006 /nfs/dbraw/zinc/14/00/06/210140006.db2.gz WHQZRXOSZDQBPL-QHCPKHFHSA-N 1 2 393.483 3.833 50 0 GHAALO O=C1CC2(CCCCC2)C(=O)N1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000014244789 210112250 /nfs/dbraw/zinc/11/22/50/210112250.db2.gz RNKNPYVUTKMVCZ-UHFFFAOYSA-N 1 2 381.476 3.674 50 0 GHAALO C/C=C/c1ccc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(OC)c1 ZINC000014111661 210104263 /nfs/dbraw/zinc/10/42/63/210104263.db2.gz ITLIUUFDPKVQGV-ONEGZZNKSA-N 1 2 396.487 3.578 50 0 GHAALO COc1cccc(-c2cc(C(=O)NCCCn3cc[nH+]c3)c3ccccc3n2)c1 ZINC000013153671 210054355 /nfs/dbraw/zinc/05/43/55/210054355.db2.gz RBZGAPGLBXYVMP-UHFFFAOYSA-N 1 2 386.455 3.927 50 0 GHAALO C[N@H+](CC(=O)Nc1ccccc1SC(F)F)Cc1ccc2c(c1)OCCO2 ZINC000012992041 210041705 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50 0 GHAALO O=C(NCCSC1CCCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000096180020 211315778 /nfs/dbraw/zinc/31/57/78/211315778.db2.gz UYLKLBFFHJGWED-UHFFFAOYSA-N 1 2 377.554 3.706 50 0 GHAALO Cc1cc(NC(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)n(-c2ccccc2C)n1 ZINC000096148035 211310151 /nfs/dbraw/zinc/31/01/51/211310151.db2.gz HQPOEELCCHWHDC-GOSISDBHSA-N 1 2 378.480 3.630 50 0 GHAALO Cn1cc(C(=O)NCCCCCc2[nH]c3ccccc3[nH+]2)c2ccccc2c1=O ZINC000096116597 211301927 /nfs/dbraw/zinc/30/19/27/211301927.db2.gz PAVMHQYSLODZLU-UHFFFAOYSA-N 1 2 388.471 3.558 50 0 GHAALO COCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(Cl)cc3C)c2C1 ZINC000096013481 211295325 /nfs/dbraw/zinc/29/53/25/211295325.db2.gz FQTMEESDZCRROW-UHFFFAOYSA-N 1 2 394.924 3.801 50 0 GHAALO COCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(Cl)cc3C)c2C1 ZINC000096013481 211295329 /nfs/dbraw/zinc/29/53/29/211295329.db2.gz FQTMEESDZCRROW-UHFFFAOYSA-N 1 2 394.924 3.801 50 0 GHAALO CC(=O)N[C@@H]1C[N@H+](Cc2c(Cl)cncc2Cl)C[C@H]1c1ccc(C)cc1 ZINC000095517665 211265269 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50 0 GHAALO O=C(c1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCc2[nH+]c[nH]c2C1 ZINC000095384132 211234526 /nfs/dbraw/zinc/23/45/26/211234526.db2.gz WXVMLWYQYVOJTL-UHFFFAOYSA-N 1 2 378.379 3.751 50 0 GHAALO CCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)NCc1noc(-c2ccco2)n1 ZINC000095375707 211230313 /nfs/dbraw/zinc/23/03/13/211230313.db2.gz OZNWQJJSMSSPQO-AWEZNQCLSA-N 1 2 379.420 3.509 50 0 GHAALO CC1(C)C[C@](CCNC(=O)c2ccc3[nH+]ccn3c2)(c2ccccc2)CCO1 ZINC000091493866 211194323 /nfs/dbraw/zinc/19/43/23/211194323.db2.gz WYDZHDDGXIAGIK-HSZRJFAPSA-N 1 2 377.488 3.981 50 0 GHAALO C[C@H](C(=O)N1CCC(c2[nH+]ccn2CC2CC2)CC1)n1cnc2ccccc21 ZINC000082096553 211160061 /nfs/dbraw/zinc/16/00/61/211160061.db2.gz NUQAAKKJCAZGIZ-MRXNPFEDSA-N 1 2 377.492 3.610 50 0 GHAALO COc1ccc(-n2cc(C[N@@H+]3CCN(C)[C@H](C)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000072478099 211125137 /nfs/dbraw/zinc/12/51/37/211125137.db2.gz WTDJZNXVYWNJNR-QGZVFWFLSA-N 1 2 394.494 3.823 50 0 GHAALO COc1ccc(-n2cc(C[N@H+]3CCN(C)[C@H](C)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000072478099 211125139 /nfs/dbraw/zinc/12/51/39/211125139.db2.gz WTDJZNXVYWNJNR-QGZVFWFLSA-N 1 2 394.494 3.823 50 0 GHAALO COc1ccc2cc(C[N@@H+]3CCN(C)C(=O)[C@@H]3C)c(-c3cccs3)nc2c1 ZINC000072469958 211121815 /nfs/dbraw/zinc/12/18/15/211121815.db2.gz GAUOUFCJYLJHKA-AWEZNQCLSA-N 1 2 381.501 3.634 50 0 GHAALO COc1ccc2cc(C[N@H+]3CCN(C)C(=O)[C@@H]3C)c(-c3cccs3)nc2c1 ZINC000072469958 211121817 /nfs/dbraw/zinc/12/18/17/211121817.db2.gz GAUOUFCJYLJHKA-AWEZNQCLSA-N 1 2 381.501 3.634 50 0 GHAALO O=C(N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1)C1(Cn2cc[nH+]c2)CC1 ZINC000067883573 211027444 /nfs/dbraw/zinc/02/74/44/211027444.db2.gz ZLVLOLRENSXXDJ-UHFFFAOYSA-N 1 2 393.466 3.599 50 0 GHAALO Cc1[nH]c(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)c(C)c1C(=O)OC(C)C ZINC000025174677 210479574 /nfs/dbraw/zinc/47/95/74/210479574.db2.gz UIIYHKYPQQOXNH-UHFFFAOYSA-N 1 2 380.448 3.694 50 0 GHAALO Cn1cc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000024337891 210463246 /nfs/dbraw/zinc/46/32/46/210463246.db2.gz LKVXWQDGOFZZIH-UHFFFAOYSA-N 1 2 397.906 3.669 50 0 GHAALO CC(C)c1ccc(NC(=O)c2ccc(SCC[NH+]3CCOCC3)nc2)cc1 ZINC000021663562 210388876 /nfs/dbraw/zinc/38/88/76/210388876.db2.gz IPEHDRDCSSPUPX-UHFFFAOYSA-N 1 2 385.533 3.882 50 0 GHAALO CC(C)NC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2F)CC1 ZINC000021158691 210378976 /nfs/dbraw/zinc/37/89/76/210378976.db2.gz HCYRIGOTWWPBEM-UHFFFAOYSA-N 1 2 394.494 3.965 50 0 GHAALO O=C(c1nc2sccn2c1C[N@@H+]1CCc2sccc2C1)N1CCCCC1 ZINC000020322288 210327992 /nfs/dbraw/zinc/32/79/92/210327992.db2.gz WVVAOGSKHMZHMI-UHFFFAOYSA-N 1 2 386.546 3.642 50 0 GHAALO O=C(c1nc2sccn2c1C[N@H+]1CCc2sccc2C1)N1CCCCC1 ZINC000020322288 210327996 /nfs/dbraw/zinc/32/79/96/210327996.db2.gz WVVAOGSKHMZHMI-UHFFFAOYSA-N 1 2 386.546 3.642 50 0 GHAALO O=C(NC(=S)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000020189814 210322137 /nfs/dbraw/zinc/32/21/37/210322137.db2.gz QSBZYHAHRHCLBD-QPJJXVBHSA-N 1 2 399.947 3.686 50 0 GHAALO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1c2ccccc2CCc2ccccc21 ZINC000019899439 210307366 /nfs/dbraw/zinc/30/73/66/210307366.db2.gz WLOCOJFEWZZOQP-UHFFFAOYSA-N 1 2 398.510 3.667 50 0 GHAALO CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(C[NH+]2CCOCC2)c1 ZINC000019796811 210297376 /nfs/dbraw/zinc/29/73/76/210297376.db2.gz GQOYASIBVXHMGA-JOCHJYFZSA-N 1 2 395.503 3.504 50 0 GHAALO Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(C(=O)N(C)Cc3ccoc3)s2)[nH]n1 ZINC000019720586 210288720 /nfs/dbraw/zinc/28/87/20/210288720.db2.gz NSBXPGHNOZCZMF-KRWDZBQOSA-N 1 2 384.505 3.982 50 0 GHAALO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)N(C)Cc3ccoc3)s2)[nH]n1 ZINC000019720586 210288722 /nfs/dbraw/zinc/28/87/22/210288722.db2.gz NSBXPGHNOZCZMF-KRWDZBQOSA-N 1 2 384.505 3.982 50 0 GHAALO CO[C@@H]1CCCN(c2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC000096122488 136183890 /nfs/dbraw/zinc/18/38/90/136183890.db2.gz KKPKFUBZPRHSOW-JOCHJYFZSA-N 1 2 390.487 3.799 50 0 GHAALO Cc1ccc(CNC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)o1 ZINC000426563247 534053519 /nfs/dbraw/zinc/05/35/19/534053519.db2.gz XHSRBOAXPVYCPM-UHFFFAOYSA-N 1 2 385.489 3.743 50 0 GHAALO Cc1ccc(CNC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)o1 ZINC000426563247 534053525 /nfs/dbraw/zinc/05/35/25/534053525.db2.gz XHSRBOAXPVYCPM-UHFFFAOYSA-N 1 2 385.489 3.743 50 0 GHAALO CCCOC(=O)c1ccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000048020324 570217543 /nfs/dbraw/zinc/21/75/43/570217543.db2.gz IVQBXCRWDJESKD-LJQANCHMSA-N 1 2 392.459 3.898 50 0 GHAALO O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccccc1C[NH+]1CCOCC1 ZINC000048149721 570219447 /nfs/dbraw/zinc/21/94/47/570219447.db2.gz PISUBHPMKSYUNL-UHFFFAOYSA-N 1 2 382.548 3.742 50 0 GHAALO Cc1ccc(C)c(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)cc(C)cc4c(=O)c3C2)c1 ZINC000049003222 570261800 /nfs/dbraw/zinc/26/18/00/570261800.db2.gz NJYVQKHTMOYERO-UHFFFAOYSA-N 1 2 389.499 3.759 50 0 GHAALO Cc1ccc(C)c(NC(=O)C[N@H+]2CCc3[nH]c4c(C)cc(C)cc4c(=O)c3C2)c1 ZINC000049003222 570261803 /nfs/dbraw/zinc/26/18/03/570261803.db2.gz NJYVQKHTMOYERO-UHFFFAOYSA-N 1 2 389.499 3.759 50 0 GHAALO O=C(C[NH+]1CCC(c2nnc(-c3ccco3)s2)CC1)Nc1ccccc1F ZINC000049363126 570263054 /nfs/dbraw/zinc/26/30/54/570263054.db2.gz QAEPVYRQNCJAEB-UHFFFAOYSA-N 1 2 386.452 3.755 50 0 GHAALO Fc1cccc(-c2nnc([C@H]3CC34CC[NH+](Cc3nc(C5CC5)no3)CC4)o2)c1 ZINC000071890581 570275621 /nfs/dbraw/zinc/27/56/21/570275621.db2.gz QFNBGHBOPZQIAA-MRXNPFEDSA-N 1 2 395.438 3.906 50 0 GHAALO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000084536064 570293060 /nfs/dbraw/zinc/29/30/60/570293060.db2.gz ZGOMLYLEBNFYQV-KRWDZBQOSA-N 1 2 395.330 3.551 50 0 GHAALO CC(C)[C@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000022424076 570316744 /nfs/dbraw/zinc/31/67/44/570316744.db2.gz YZEFDSJAERRPNO-QFIPXVFZSA-N 1 2 381.520 3.715 50 0 GHAALO O=C(Cc1ccc2ccccc2c1)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000022465225 570318010 /nfs/dbraw/zinc/31/80/10/570318010.db2.gz NDHNUNKHQNVATH-HXUWFJFHSA-N 1 2 380.513 3.634 50 0 GHAALO C[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000022801889 570328828 /nfs/dbraw/zinc/32/88/28/570328828.db2.gz FKMRPSZGRPRWPP-OAHLLOKOSA-N 1 2 384.430 3.894 50 0 GHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1cccc2ccccc21 ZINC000022893279 570333206 /nfs/dbraw/zinc/33/32/06/570333206.db2.gz YGFIBCJOIPEOGQ-UHFFFAOYSA-N 1 2 375.472 3.994 50 0 GHAALO C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022916270 570335144 /nfs/dbraw/zinc/33/51/44/570335144.db2.gz CEBZURKWMLVCIA-CYBMUJFWSA-N 1 2 381.904 3.685 50 0 GHAALO O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575613692 570339257 /nfs/dbraw/zinc/33/92/57/570339257.db2.gz RZIAZMUJJODGST-CQSZACIVSA-N 1 2 387.288 3.621 50 0 GHAALO FC(F)(F)c1ccc(N2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)nc1 ZINC000004302807 570366687 /nfs/dbraw/zinc/36/66/87/570366687.db2.gz YIGORBTYHVKQHP-UHFFFAOYSA-N 1 2 387.409 3.813 50 0 GHAALO O=S(=O)(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1ccc2c(c1)CCO2 ZINC000575620671 570369692 /nfs/dbraw/zinc/36/96/92/570369692.db2.gz RYTCUWQYHCSMIA-UHFFFAOYSA-N 1 2 395.484 3.622 50 0 GHAALO COc1ccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000025415590 570413175 /nfs/dbraw/zinc/41/31/75/570413175.db2.gz IOTKPGPOIDSXSI-LJQANCHMSA-N 1 2 379.909 3.959 50 0 GHAALO COc1ccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000025415590 570413177 /nfs/dbraw/zinc/41/31/77/570413177.db2.gz IOTKPGPOIDSXSI-LJQANCHMSA-N 1 2 379.909 3.959 50 0 GHAALO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000053517397 570425740 /nfs/dbraw/zinc/42/57/40/570425740.db2.gz BHDYTUKIZMSBEU-HNNXBMFYSA-N 1 2 388.471 3.719 50 0 GHAALO Fc1ccc(N2CC[NH+](Cc3cc4c(cc3Br)OCO4)CC2)cc1 ZINC000005066672 570428171 /nfs/dbraw/zinc/42/81/71/570428171.db2.gz DPJWSFOJMSMPMY-UHFFFAOYSA-N 1 2 393.256 3.639 50 0 GHAALO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000239297271 570428821 /nfs/dbraw/zinc/42/88/21/570428821.db2.gz DWHOKXPEZHFKMN-MBOZVWFJSA-N 1 2 378.497 3.604 50 0 GHAALO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000239297271 570428823 /nfs/dbraw/zinc/42/88/23/570428823.db2.gz DWHOKXPEZHFKMN-MBOZVWFJSA-N 1 2 378.497 3.604 50 0 GHAALO COc1ccc(-c2nnc([C@H](C)[NH+]3CCN(c4cccc(C)c4)CC3)o2)cc1 ZINC000027385101 570434169 /nfs/dbraw/zinc/43/41/69/570434169.db2.gz AAOLJBKEEZKUKR-KRWDZBQOSA-N 1 2 378.476 3.937 50 0 GHAALO C[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(C(F)(F)F)cc1 ZINC000252482313 570474517 /nfs/dbraw/zinc/47/45/17/570474517.db2.gz DCVAWLYYWBDAKL-ZDUSSCGKSA-N 1 2 380.414 3.841 50 0 GHAALO CN(C)c1ccc(N[C@H]2CCCN(C(=O)CCc3ccc(F)cc3)CC2)c[nH+]1 ZINC000252549221 570477667 /nfs/dbraw/zinc/47/76/67/570477667.db2.gz QWOZCKSFRQCUBC-IBGZPJMESA-N 1 2 384.499 3.713 50 0 GHAALO CC(C)C[C@@H]1[NH2+]C2(CCN(C(=O)C3CCCC3)CC2)N(Cc2ccccc2)C1=O ZINC000036028868 570514042 /nfs/dbraw/zinc/51/40/42/570514042.db2.gz AVUISALMIKJPQL-NRFANRHFSA-N 1 2 397.563 3.542 50 0 GHAALO COc1cccc([C@H](C)Cc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000177003069 570514695 /nfs/dbraw/zinc/51/46/95/570514695.db2.gz RCRFMUPMEJSCHX-QGZVFWFLSA-N 1 2 393.487 3.924 50 0 GHAALO Cc1ccc(-c2noc([C@H](C)[NH+]3CCN(Cc4ccncc4Cl)CC3)n2)cc1 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GHAALO O=C(NCc1ccc(F)c(Cn2cc[nH+]c2)c1)c1cc2ccccc2cc1O ZINC000036396870 570680831 /nfs/dbraw/zinc/68/08/31/570680831.db2.gz MXZNTHGDYPAFPH-UHFFFAOYSA-N 1 2 375.403 3.859 50 0 GHAALO CCn1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3cscn3)cc2)cn1 ZINC000012573789 570682054 /nfs/dbraw/zinc/68/20/54/570682054.db2.gz YINMZBDGCWDGOK-IBGZPJMESA-N 1 2 381.505 3.630 50 0 GHAALO CCn1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3cscn3)cc2)cn1 ZINC000012573789 570682056 /nfs/dbraw/zinc/68/20/56/570682056.db2.gz YINMZBDGCWDGOK-IBGZPJMESA-N 1 2 381.505 3.630 50 0 GHAALO CCn1nc(C)c(C[N@H+](CCOC)Cc2cc3c(cc2Cl)OCO3)c1C ZINC000055359216 570692228 /nfs/dbraw/zinc/69/22/28/570692228.db2.gz IZPPQJYDGJFKRD-UHFFFAOYSA-N 1 2 379.888 3.551 50 0 GHAALO CCn1nc(C)c(C[N@@H+](CCOC)Cc2cc3c(cc2Cl)OCO3)c1C ZINC000055359216 570692229 /nfs/dbraw/zinc/69/22/29/570692229.db2.gz IZPPQJYDGJFKRD-UHFFFAOYSA-N 1 2 379.888 3.551 50 0 GHAALO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000055386375 570693940 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GHAALO O=C(C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1)Nc1ccc(F)cc1F ZINC000065184107 570722497 /nfs/dbraw/zinc/72/24/97/570722497.db2.gz XKJDXPDREKLCBF-UHFFFAOYSA-N 1 2 398.413 3.833 50 0 GHAALO Cc1cc(C)c(NC(=O)C[NH+]2CCN(c3nc4ccccc4s3)CC2)c(C)c1 ZINC000059644185 570739360 /nfs/dbraw/zinc/73/93/60/570739360.db2.gz WGNBQLMZTFMWQL-UHFFFAOYSA-N 1 2 394.544 3.982 50 0 GHAALO Cc1cc(N)nc(SCC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)[nH+]1 ZINC000007094679 570788025 /nfs/dbraw/zinc/78/80/25/570788025.db2.gz RKSWGUOBQBPREX-QGZVFWFLSA-N 1 2 388.493 3.566 50 0 GHAALO COc1ccc([C@H](NC(=O)Cn2c(C)cc3ccccc32)c2[nH+]ccn2C)cc1 ZINC000012506885 570822640 /nfs/dbraw/zinc/82/26/40/570822640.db2.gz ALQYGYCKXBTKBD-QFIPXVFZSA-N 1 2 388.471 3.598 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000012507381 570823052 /nfs/dbraw/zinc/82/30/52/570823052.db2.gz DTJKQHIBIQYASV-HXUWFJFHSA-N 1 2 388.496 3.992 50 0 GHAALO C[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2nc(-c3ccc(C(C)(C)C)cc3)[nH]c2n1 ZINC000101747742 570832033 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Cc1csc(N2CCC[N@@H+](CC(=O)Nc3cccc(Cl)c3C)CC2)n1 ZINC000060040029 570969117 /nfs/dbraw/zinc/96/91/17/570969117.db2.gz FPACQVXESUGAQR-UHFFFAOYSA-N 1 2 378.929 3.564 50 0 GHAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2F)c1 ZINC000007717170 571020143 /nfs/dbraw/zinc/02/01/43/571020143.db2.gz KYHVQFAVMCQMTM-SFHVURJKSA-N 1 2 376.403 3.758 50 0 GHAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2F)c1 ZINC000007717170 571020145 /nfs/dbraw/zinc/02/01/45/571020145.db2.gz KYHVQFAVMCQMTM-SFHVURJKSA-N 1 2 376.403 3.758 50 0 GHAALO COc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)CC2)c1 ZINC000057024669 861869489 /nfs/dbraw/zinc/86/94/89/861869489.db2.gz VYIOCSIFEGZEKW-IBGZPJMESA-N 1 2 381.520 3.770 50 0 GHAALO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057406133 862079257 /nfs/dbraw/zinc/07/92/57/862079257.db2.gz OJHNJRKYWYBKCR-AWEZNQCLSA-N 1 2 393.409 3.560 50 0 GHAALO Brc1cccc(C2([NH2+]Cc3nc(C4CC4)no3)CCOCC2)c1 ZINC000055055651 855301505 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COc1ccccc1Oc1ccc(NC(=O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000824827572 864159366 /nfs/dbraw/zinc/15/93/66/864159366.db2.gz KRUHLXRTSBRNLV-UHFFFAOYSA-N 1 2 389.455 3.879 50 0 GHAALO Cc1c[nH+]c(-c2ccncc2)n1C1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000575548741 866188757 /nfs/dbraw/zinc/18/87/57/866188757.db2.gz GODPBERFJQWECR-GOSISDBHSA-N 1 2 390.487 3.885 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1CC1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000575549591 866190130 /nfs/dbraw/zinc/19/01/30/866190130.db2.gz LHYQXNATMQXFOS-UHFFFAOYSA-N 1 2 392.478 3.874 50 0 GHAALO c1csc(C[NH+]2CC(Oc3ccc(-c4noc(C5CCOCC5)n4)cc3)C2)c1 ZINC000581789786 870004246 /nfs/dbraw/zinc/00/42/46/870004246.db2.gz OZJJHUVOWNQTCN-UHFFFAOYSA-N 1 2 397.500 3.955 50 0 GHAALO COc1ccc(C(=O)N2CC[C@H](c3[nH+]cc(C)n3Cc3ccccc3)C2)cc1 ZINC000581815689 870044776 /nfs/dbraw/zinc/04/47/76/870044776.db2.gz GFNQYFRQKZZVDJ-FQEVSTJZSA-N 1 2 375.472 3.878 50 0 GHAALO COCCCN(Cc1cccc(OC)c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000952965502 904644557 /nfs/dbraw/zinc/64/45/57/904644557.db2.gz RFJFNBKSTRMMJC-UHFFFAOYSA-N 1 2 379.460 3.560 50 0 GHAALO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](Cc4cccnc4C)CC3)n2)cc1 ZINC000092010581 911367577 /nfs/dbraw/zinc/36/75/77/911367577.db2.gz WQSNTGQEQRMFJN-GOSISDBHSA-N 1 2 377.492 3.627 50 0 GHAALO Cc1cc(C)c(NC(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)c1 ZINC000019535214 210258239 /nfs/dbraw/zinc/25/82/39/210258239.db2.gz JEMCPCVCDNPWBT-JXMROGBWSA-N 1 2 377.532 3.881 50 0 GHAALO COCCCN(Cc1ccc(C)cc1)C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000426677974 231252396 /nfs/dbraw/zinc/25/23/96/231252396.db2.gz IWQWKFFMPVAKNG-UHFFFAOYSA-N 1 2 380.492 3.699 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC(OC)CC4)csc3C2)nc1 ZINC000426529260 529643080 /nfs/dbraw/zinc/64/30/80/529643080.db2.gz JPNWEEAOPNKKCK-UHFFFAOYSA-N 1 2 399.560 3.515 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC(OC)CC4)csc3C2)nc1 ZINC000426529260 529643083 /nfs/dbraw/zinc/64/30/83/529643083.db2.gz JPNWEEAOPNKKCK-UHFFFAOYSA-N 1 2 399.560 3.515 50 0 GHAALO Cc1ccc2c(CC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)coc2c1C ZINC000017795897 210212149 /nfs/dbraw/zinc/21/21/49/210212149.db2.gz CANHEPKAWIFNCN-NRFANRHFSA-N 1 2 392.499 3.609 50 0 GHAALO Cc1ccc2c(CC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)coc2c1C ZINC000017795897 210212152 /nfs/dbraw/zinc/21/21/52/210212152.db2.gz CANHEPKAWIFNCN-NRFANRHFSA-N 1 2 392.499 3.609 50 0 GHAALO COc1cccc(CC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)c1 ZINC000015825849 210171017 /nfs/dbraw/zinc/17/10/17/210171017.db2.gz IFRNFXZOUPMNBB-UHFFFAOYSA-N 1 2 391.471 3.570 50 0 GHAALO COc1ccccc1-c1noc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)n1 ZINC000015300285 210155940 /nfs/dbraw/zinc/15/59/40/210155940.db2.gz LPJGVTCWKOJLLI-UHFFFAOYSA-N 1 2 375.375 3.979 50 0 GHAALO COc1ccccc1-c1noc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)n1 ZINC000015300285 210155945 /nfs/dbraw/zinc/15/59/45/210155945.db2.gz LPJGVTCWKOJLLI-UHFFFAOYSA-N 1 2 375.375 3.979 50 0 GHAALO CCOC(=O)c1nn(CC2CC2)c2c1C[N@H+](Cc1c[nH]c3ccccc13)CC2 ZINC000014541325 210121402 /nfs/dbraw/zinc/12/14/02/210121402.db2.gz VUIATBMVEIIXMI-UHFFFAOYSA-N 1 2 378.476 3.509 50 0 GHAALO CCOC(=O)c1nn(CC2CC2)c2c1C[N@@H+](Cc1c[nH]c3ccccc13)CC2 ZINC000014541325 210121405 /nfs/dbraw/zinc/12/14/05/210121405.db2.gz VUIATBMVEIIXMI-UHFFFAOYSA-N 1 2 378.476 3.509 50 0 GHAALO Cc1[nH]c2ccc(C(=O)N[C@@H](C[NH+]3CCOCC3)c3ccc(C)cc3)cc2c1C ZINC000014171468 210107006 /nfs/dbraw/zinc/10/70/06/210107006.db2.gz ZCXFKZLYEYQMGB-QHCPKHFHSA-N 1 2 391.515 3.896 50 0 GHAALO O=C(COc1c(Cl)cccc1Cl)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000014161224 210104869 /nfs/dbraw/zinc/10/48/69/210104869.db2.gz DWPGVKFMJBJSGH-UHFFFAOYSA-N 1 2 397.277 3.856 50 0 GHAALO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)o1 ZINC000014019621 210099881 /nfs/dbraw/zinc/09/98/81/210099881.db2.gz IXUFVPGIQYEGSD-UHFFFAOYSA-N 1 2 391.471 3.589 50 0 GHAALO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)o1 ZINC000014019621 210099885 /nfs/dbraw/zinc/09/98/85/210099885.db2.gz IXUFVPGIQYEGSD-UHFFFAOYSA-N 1 2 391.471 3.589 50 0 GHAALO O=C1NC2(CCCCC2)C(=O)N1C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000013041736 210049059 /nfs/dbraw/zinc/04/90/59/210049059.db2.gz QLSBDVLYLYICAR-HNNXBMFYSA-N 1 2 398.532 3.688 50 0 GHAALO O=C1NC2(CCCCC2)C(=O)N1C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000013041736 210049063 /nfs/dbraw/zinc/04/90/63/210049063.db2.gz QLSBDVLYLYICAR-HNNXBMFYSA-N 1 2 398.532 3.688 50 0 GHAALO COc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)cc(OC)c1 ZINC000012814031 210015631 /nfs/dbraw/zinc/01/56/31/210015631.db2.gz RQNHVCOKAXRWNB-ZDUSSCGKSA-N 1 2 385.489 3.945 50 0 GHAALO COc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)cc(OC)c1 ZINC000012814031 210015636 /nfs/dbraw/zinc/01/56/36/210015636.db2.gz RQNHVCOKAXRWNB-ZDUSSCGKSA-N 1 2 385.489 3.945 50 0 GHAALO O=C(c1ccccc1)N1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000012768589 210004958 /nfs/dbraw/zinc/00/49/58/210004958.db2.gz WDAQONUNQUDOHX-UHFFFAOYSA-N 1 2 381.863 3.953 50 0 GHAALO C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000012380482 209947171 /nfs/dbraw/zinc/94/71/71/209947171.db2.gz YTBAMLUDWRYXLL-CYBMUJFWSA-N 1 2 380.275 3.505 50 0 GHAALO CCOC(=O)c1c2cc(O)ccc2oc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000001080463 209297990 /nfs/dbraw/zinc/29/79/90/209297990.db2.gz XBLLSSKIZVFONM-UHFFFAOYSA-N 1 2 380.444 3.637 50 0 GHAALO Nc1[nH+]cnc2[n-]c(SCc3[nH+]c4ccccc4n3Cc3ccccc3)nc21 ZINC000000792408 209265242 /nfs/dbraw/zinc/26/52/42/209265242.db2.gz PFRQOJDBPCMJTC-UHFFFAOYSA-N 1 2 387.472 3.625 50 0 GHAALO CC(C)c1csc(CN2CC[N@H+](Cc3ccc(F)c(F)c3)[C@H](CCO)C2)n1 ZINC000096410090 211342176 /nfs/dbraw/zinc/34/21/76/211342176.db2.gz XPUQAKDJWAWVHX-MRXNPFEDSA-N 1 2 395.519 3.614 50 0 GHAALO CC(C)c1csc(CN2CC[N@@H+](Cc3ccc(F)c(F)c3)[C@H](CCO)C2)n1 ZINC000096410090 211342182 /nfs/dbraw/zinc/34/21/82/211342182.db2.gz XPUQAKDJWAWVHX-MRXNPFEDSA-N 1 2 395.519 3.614 50 0 GHAALO Cc1cc(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c2cccc(C)c2[nH+]1 ZINC000095992748 211292276 /nfs/dbraw/zinc/29/22/76/211292276.db2.gz JHPASYBAXLNPMF-UHFFFAOYSA-N 1 2 389.455 3.761 50 0 GHAALO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cnc(Cl)c(C)c3)c2C1 ZINC000095960094 211288118 /nfs/dbraw/zinc/28/81/18/211288118.db2.gz FJNDUJNRILQVDA-UHFFFAOYSA-N 1 2 379.913 3.960 50 0 GHAALO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cnc(Cl)c(C)c3)c2C1 ZINC000095960094 211288124 /nfs/dbraw/zinc/28/81/24/211288124.db2.gz FJNDUJNRILQVDA-UHFFFAOYSA-N 1 2 379.913 3.960 50 0 GHAALO CCc1ccc(C(=O)N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)s1 ZINC000095519837 211267261 /nfs/dbraw/zinc/26/72/61/211267261.db2.gz BLIQWYKMBLIVGB-UHFFFAOYSA-N 1 2 380.517 3.970 50 0 GHAALO O=C(NCc1ccccc1F)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095503280 211255782 /nfs/dbraw/zinc/25/57/82/211255782.db2.gz JGXPCEHLSIOWNO-LJQANCHMSA-N 1 2 393.466 3.555 50 0 GHAALO FC(F)Oc1ccccc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000091636436 211199825 /nfs/dbraw/zinc/19/98/25/211199825.db2.gz QSXNNNCXPPAULD-WMLDXEAASA-N 1 2 379.476 3.841 50 0 GHAALO FC(F)Oc1ccccc1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cscn1)C2 ZINC000091636436 211199828 /nfs/dbraw/zinc/19/98/28/211199828.db2.gz QSXNNNCXPPAULD-WMLDXEAASA-N 1 2 379.476 3.841 50 0 GHAALO O=C(CCc1ccc2ccccc2c1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000089834960 211186324 /nfs/dbraw/zinc/18/63/24/211186324.db2.gz ABHVCVWELGSYIC-XMMPIXPASA-N 1 2 388.511 3.790 50 0 GHAALO O=C(CCc1ccc2ccccc2c1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000089834960 211186330 /nfs/dbraw/zinc/18/63/30/211186330.db2.gz ABHVCVWELGSYIC-XMMPIXPASA-N 1 2 388.511 3.790 50 0 GHAALO C[C@H](CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)[NH+]1CCOCC1 ZINC000080345461 211158313 /nfs/dbraw/zinc/15/83/13/211158313.db2.gz KXVBAOMBFHYGPN-GFCCVEGCSA-N 1 2 383.275 3.704 50 0 GHAALO Cc1nc([C@@H](C)[N@@H+]2CCc3nn(C)c(=O)cc3C2)oc1-c1ccc(Cl)cc1 ZINC000084061264 211166095 /nfs/dbraw/zinc/16/60/95/211166095.db2.gz XMESHZRUMFAVCE-CYBMUJFWSA-N 1 2 384.867 3.516 50 0 GHAALO Cc1nc([C@@H](C)[N@H+]2CCc3nn(C)c(=O)cc3C2)oc1-c1ccc(Cl)cc1 ZINC000084061264 211166098 /nfs/dbraw/zinc/16/60/98/211166098.db2.gz XMESHZRUMFAVCE-CYBMUJFWSA-N 1 2 384.867 3.516 50 0 GHAALO CCCOC(=O)N1CCCn2nc(C[N@H+](C)Cc3sccc3C)cc2C1 ZINC000072427045 211118249 /nfs/dbraw/zinc/11/82/49/211118249.db2.gz ZZEAYXLCYGGMMO-UHFFFAOYSA-N 1 2 376.526 3.637 50 0 GHAALO CCCOC(=O)N1CCCn2nc(C[N@@H+](C)Cc3sccc3C)cc2C1 ZINC000072427045 211118252 /nfs/dbraw/zinc/11/82/52/211118252.db2.gz ZZEAYXLCYGGMMO-UHFFFAOYSA-N 1 2 376.526 3.637 50 0 GHAALO OCCOc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071416173 211048841 /nfs/dbraw/zinc/04/88/41/211048841.db2.gz WPIMYJVVBYRYSS-LJQANCHMSA-N 1 2 382.287 3.938 50 0 GHAALO OCCOc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071416173 211048845 /nfs/dbraw/zinc/04/88/45/211048845.db2.gz WPIMYJVVBYRYSS-LJQANCHMSA-N 1 2 382.287 3.938 50 0 GHAALO C[C@@H](C(=O)N(C)C)[N@@H+]1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067871696 211027366 /nfs/dbraw/zinc/02/73/66/211027366.db2.gz VHJIPOIPTYJGKM-AWEZNQCLSA-N 1 2 396.512 3.945 50 0 GHAALO C[C@@H](C(=O)N(C)C)[N@H+]1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067871696 211027371 /nfs/dbraw/zinc/02/73/71/211027371.db2.gz VHJIPOIPTYJGKM-AWEZNQCLSA-N 1 2 396.512 3.945 50 0 GHAALO CC[NH+](CC)Cc1nnc2sc(C(C)(C)Oc3ccc(Cl)cc3)nn12 ZINC000061722206 210930430 /nfs/dbraw/zinc/93/04/30/210930430.db2.gz ADLFJGIUGMSMTF-UHFFFAOYSA-N 1 2 379.917 3.995 50 0 GHAALO CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000042685480 210804237 /nfs/dbraw/zinc/80/42/37/210804237.db2.gz BHCVYIWIZJNWQK-GFCCVEGCSA-N 1 2 386.323 3.559 50 0 GHAALO O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023995763 210456473 /nfs/dbraw/zinc/45/64/73/210456473.db2.gz PXMFWAFKGVSCES-UHFFFAOYSA-N 1 2 392.528 3.769 50 0 GHAALO CCc1ccc(NC(=O)N2CC[NH+](Cc3ccc4nccnc4c3)CC2)cc1 ZINC000021648913 210386841 /nfs/dbraw/zinc/38/68/41/210386841.db2.gz RRXYNFAIZQVSCX-UHFFFAOYSA-N 1 2 375.476 3.542 50 0 GHAALO CCNC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccc(C)cc2)CC1 ZINC000021159474 210377705 /nfs/dbraw/zinc/37/77/05/210377705.db2.gz JWQJCAZRQOIMEK-UHFFFAOYSA-N 1 2 376.504 3.746 50 0 GHAALO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1F)c1nc(-c2ccccn2)no1 ZINC000020918004 210369236 /nfs/dbraw/zinc/36/92/36/210369236.db2.gz VCSYFMKAYBPPPJ-LLVKDONJSA-N 1 2 382.374 3.651 50 0 GHAALO CN(Cc1ccsc1)c1ccc(C(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)cn1 ZINC000020212382 210325208 /nfs/dbraw/zinc/32/52/08/210325208.db2.gz BWLALGYZLORFQM-KRWDZBQOSA-N 1 2 395.532 3.528 50 0 GHAALO CCOC(=O)N1CCC([N@@H+]2CCc3n[nH]c(C=Cc4ccccc4)c3C2)CC1 ZINC000020138538 210318117 /nfs/dbraw/zinc/31/81/17/210318117.db2.gz BJPIVLCZBVWWOI-CMDGGOBGSA-N 1 2 380.492 3.559 50 0 GHAALO CCOC(=O)N1CCC([N@H+]2CCc3n[nH]c(C=Cc4ccccc4)c3C2)CC1 ZINC000020138538 210318120 /nfs/dbraw/zinc/31/81/20/210318120.db2.gz BJPIVLCZBVWWOI-CMDGGOBGSA-N 1 2 380.492 3.559 50 0 GHAALO O=C(NCCSc1ccc(Cl)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019812505 210300095 /nfs/dbraw/zinc/30/00/95/210300095.db2.gz YIDZTQPFHOKIKN-UHFFFAOYSA-N 1 2 390.936 3.694 50 0 GHAALO COc1cc2ccccc2cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019938173 210308940 /nfs/dbraw/zinc/30/89/40/210308940.db2.gz CBFCUSQKTDQXKC-UHFFFAOYSA-N 1 2 376.456 3.933 50 0 biogenic,in-vitro GHAALO Cc1ccc2c(c1)C[N@@H+](CC(=O)N1CCCC[C@@H]1c1ccccn1)C[C@H](C)O2 ZINC000011840804 221130931 /nfs/dbraw/zinc/13/09/31/221130931.db2.gz BVKZZJCLPLUMTC-GHTZIAJQSA-N 1 2 379.504 3.727 50 0 GHAALO Cc1ccc2c(c1)C[N@H+](CC(=O)N1CCCC[C@@H]1c1ccccn1)C[C@H](C)O2 ZINC000011840804 221130934 /nfs/dbraw/zinc/13/09/34/221130934.db2.gz BVKZZJCLPLUMTC-GHTZIAJQSA-N 1 2 379.504 3.727 50 0 GHAALO O=C(NCCCN1CCCc2ccccc21)c1cc2c(s1)C[N@@H+](C1CC1)C2 ZINC000065238916 136160964 /nfs/dbraw/zinc/16/09/64/136160964.db2.gz VPKOSUISWZVVCI-UHFFFAOYSA-N 1 2 381.545 3.799 50 0 GHAALO O=C(NCCCN1CCCc2ccccc21)c1cc2c(s1)C[N@H+](C1CC1)C2 ZINC000065238916 136160965 /nfs/dbraw/zinc/16/09/65/136160965.db2.gz VPKOSUISWZVVCI-UHFFFAOYSA-N 1 2 381.545 3.799 50 0 GHAALO Cc1cc(Cl)ccc1NC(=O)Cn1ncc2c1nc[nH+]c2N1CCC(C)CC1 ZINC000065295505 136162717 /nfs/dbraw/zinc/16/27/17/136162717.db2.gz XETTZTQBGSEKAG-UHFFFAOYSA-N 1 2 398.898 3.663 50 0 GHAALO CC(C)NC(=O)c1cc(N2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)ccn1 ZINC000072169452 136167478 /nfs/dbraw/zinc/16/74/78/136167478.db2.gz RIIYZPOSLBABGG-INIZCTEOSA-N 1 2 377.492 3.555 50 0 GHAALO CC[C@@H](C)c1nc(N2CCN(C(C)=O)CC2)c(Cc2cccc(C)c2)c(C)[nH+]1 ZINC000085898283 136175366 /nfs/dbraw/zinc/17/53/66/136175366.db2.gz GBSJEVSWQPBAFI-QGZVFWFLSA-N 1 2 380.536 3.866 50 0 GHAALO CCC(=O)N1CCN(c2nc(C3CC3)[nH+]c(C)c2Cc2cccc(C)c2)CC1 ZINC000085898281 136175395 /nfs/dbraw/zinc/17/53/95/136175395.db2.gz WVBNERNFZLCECX-UHFFFAOYSA-N 1 2 378.520 3.620 50 0 GHAALO Cc1cc(N2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)nc[nH+]1 ZINC000095506740 136180511 /nfs/dbraw/zinc/18/05/11/136180511.db2.gz LXYKYINBHNKDSP-KRWDZBQOSA-N 1 2 389.459 3.827 50 0 GHAALO O=S(=O)(c1cccc(Cl)c1F)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000095961691 136182941 /nfs/dbraw/zinc/18/29/41/136182941.db2.gz YQTOBGGTJRHWEY-AWEZNQCLSA-N 1 2 391.855 3.668 50 0 GHAALO Cc1cccc2[nH+]c([C@@H]3CCCN(c4cc(C(=O)NC5CC5)ccn4)C3)[nH]c21 ZINC000096138688 136184351 /nfs/dbraw/zinc/18/43/51/136184351.db2.gz WKVZGDLFIXOUMX-MRXNPFEDSA-N 1 2 375.476 3.543 50 0 GHAALO Cc1cccc2[nH]c([C@@H]3CCCN(c4cc(C(=O)NC5CC5)ccn4)C3)[nH+]c21 ZINC000096138688 136184352 /nfs/dbraw/zinc/18/43/52/136184352.db2.gz WKVZGDLFIXOUMX-MRXNPFEDSA-N 1 2 375.476 3.543 50 0 GHAALO Cc1cc(C)c(NC(=O)CNc2ccc([NH+]3CCCCC3)cc2C(N)=O)c(C)c1 ZINC000011010030 136199450 /nfs/dbraw/zinc/19/94/50/136199450.db2.gz IEIKBCAAYOTVKM-UHFFFAOYSA-N 1 2 394.519 3.752 50 0 GHAALO COc1ccc(-n2cc(C3=CC[N@H+](Cc4nc(C)cc(C)n4)CC3)cn2)cc1 ZINC000065422192 222129904 /nfs/dbraw/zinc/12/99/04/222129904.db2.gz DTQNCXBKIYAEPC-UHFFFAOYSA-N 1 2 375.476 3.577 50 0 GHAALO COc1ccc(-n2cc(C3=CC[N@@H+](Cc4nc(C)cc(C)n4)CC3)cn2)cc1 ZINC000065422192 222129910 /nfs/dbraw/zinc/12/99/10/222129910.db2.gz DTQNCXBKIYAEPC-UHFFFAOYSA-N 1 2 375.476 3.577 50 0 GHAALO Cc1nnsc1C(=O)Nc1ccc(Nc2nc(N3CCCC3)cc(C)[nH+]2)cc1 ZINC000067602138 222150350 /nfs/dbraw/zinc/15/03/50/222150350.db2.gz JKVCMSKYKWVFDB-UHFFFAOYSA-N 1 2 395.492 3.541 50 0 GHAALO C[C@@H](c1ccc2c(c1)OCCO2)N(C)C(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC000426717060 534073908 /nfs/dbraw/zinc/07/39/08/534073908.db2.gz YOCREZSTOUNXFF-HNNXBMFYSA-N 1 2 377.444 3.692 50 0 GHAALO CCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3C)C2)nc[nH+]1 ZINC000065245084 535521770 /nfs/dbraw/zinc/52/17/70/535521770.db2.gz RLXDCSXRKCQAFS-QGZVFWFLSA-N 1 2 397.523 3.861 50 0 GHAALO CCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3C)C2)[nH+]cn1 ZINC000065245084 535521778 /nfs/dbraw/zinc/52/17/78/535521778.db2.gz RLXDCSXRKCQAFS-QGZVFWFLSA-N 1 2 397.523 3.861 50 0 GHAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(C)=O)CC2)c1Cc1cc(C)ccc1C ZINC000096317332 536127598 /nfs/dbraw/zinc/12/75/98/536127598.db2.gz OCOOJPDXCZZKMY-UHFFFAOYSA-N 1 2 392.547 3.793 50 0 GHAALO COc1ccc(Cl)cc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2)CC1 ZINC000096280586 536567163 /nfs/dbraw/zinc/56/71/63/536567163.db2.gz WHOYIVZURNUOLG-AWEZNQCLSA-N 1 2 391.874 3.637 50 0 GHAALO O=C(C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1)NC1CCCCCC1 ZINC000047797243 570215365 /nfs/dbraw/zinc/21/53/65/570215365.db2.gz JWHFSRFXZQYVEN-UHFFFAOYSA-N 1 2 378.463 3.699 50 0 GHAALO CC(C)Sc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000048244939 570222707 /nfs/dbraw/zinc/22/27/07/570222707.db2.gz JJWYEMJSJBVIPC-UHFFFAOYSA-N 1 2 384.545 3.949 50 0 GHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cc(-c2ccccc2)n[nH]1 ZINC000048300285 570234113 /nfs/dbraw/zinc/23/41/13/570234113.db2.gz QRAFZAJGOHFFJD-UHFFFAOYSA-N 1 2 375.476 3.782 50 0 GHAALO O=C(C[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1)Nc1ccccc1-c1ccccc1 ZINC000048375324 570249589 /nfs/dbraw/zinc/24/95/89/570249589.db2.gz OAHJBWJJHBLPNW-NHCUHLMSSA-N 1 2 394.515 3.952 50 0 GHAALO c1ccc(-c2nnc([C@H]3CC34CC[NH+](Cc3nc(C5CC5)no3)CC4)o2)cc1 ZINC000071889676 570270816 /nfs/dbraw/zinc/27/08/16/570270816.db2.gz HFPJAIXNHVHJPP-MRXNPFEDSA-N 1 2 377.448 3.767 50 0 GHAALO CN(C)c1[nH+]cccc1NC(=O)COc1ccc(C2SCCS2)cc1 ZINC000049727704 570272219 /nfs/dbraw/zinc/27/22/19/570272219.db2.gz IFQVBSHNABASQA-UHFFFAOYSA-N 1 2 375.519 3.644 50 0 GHAALO CC(C)(CNC(=O)c1ccccc1SCc1cccs1)[NH+]1CCOCC1 ZINC000021911104 570298929 /nfs/dbraw/zinc/29/89/29/570298929.db2.gz FSONDTQHUDZNBN-UHFFFAOYSA-N 1 2 390.574 3.881 50 0 GHAALO Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@@H](n2c(C)[nH+]c3ccccc32)C1 ZINC000575414640 570305174 /nfs/dbraw/zinc/30/51/74/570305174.db2.gz RBZVBVPUMVGIKA-MRXNPFEDSA-N 1 2 391.500 3.988 50 0 GHAALO c1cn(-c2ccc(CNc3nc(-c4cccnc4)nc4ccccc43)cn2)c[nH+]1 ZINC000022227707 570308178 /nfs/dbraw/zinc/30/81/78/570308178.db2.gz KOCMNBQMVWYIPG-UHFFFAOYSA-N 1 2 379.427 3.885 50 0 GHAALO Cn1cccc1-c1noc(C2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)n1 ZINC000575552348 570322417 /nfs/dbraw/zinc/32/24/17/570322417.db2.gz KYNLEXBWEULFGX-UHFFFAOYSA-N 1 2 396.476 3.566 50 0 GHAALO O=C(c1occc1COc1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000022692016 570324957 /nfs/dbraw/zinc/32/49/57/570324957.db2.gz WYYFOYFGBHHFET-UHFFFAOYSA-N 1 2 382.485 3.878 50 0 GHAALO C[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000025909664 570349118 /nfs/dbraw/zinc/34/91/18/570349118.db2.gz SINDWROWTYUETK-MRXNPFEDSA-N 1 2 385.316 3.671 50 0 GHAALO C[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H](c2ccccc2)C1 ZINC000025909664 570349121 /nfs/dbraw/zinc/34/91/21/570349121.db2.gz SINDWROWTYUETK-MRXNPFEDSA-N 1 2 385.316 3.671 50 0 GHAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 ZINC000575615146 570353602 /nfs/dbraw/zinc/35/36/02/570353602.db2.gz BMJPOQLPEFVHIR-UGAXZCSASA-N 1 2 375.428 3.560 50 0 GHAALO O=C1N[C@]2(CCCc3ccccc32)C(=O)N1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000033530870 570370244 /nfs/dbraw/zinc/37/02/44/570370244.db2.gz YEEZOWFXPOURKR-DEOSSOPVSA-N 1 2 387.483 3.517 50 0 GHAALO O=C1N[C@]2(CCCc3ccccc32)C(=O)N1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000033530870 570370246 /nfs/dbraw/zinc/37/02/46/570370246.db2.gz YEEZOWFXPOURKR-DEOSSOPVSA-N 1 2 387.483 3.517 50 0 GHAALO COc1ccc2cc(C[N@H+](C)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)ccc2c1 ZINC000023760986 570371644 /nfs/dbraw/zinc/37/16/44/570371644.db2.gz HLCFZKOCNUDAGW-QMHKHESXSA-N 1 2 395.503 3.738 50 0 GHAALO COc1ccc2cc(C[N@@H+](C)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)ccc2c1 ZINC000023760986 570371646 /nfs/dbraw/zinc/37/16/46/570371646.db2.gz HLCFZKOCNUDAGW-QMHKHESXSA-N 1 2 395.503 3.738 50 0 GHAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000023805636 570372827 /nfs/dbraw/zinc/37/28/27/570372827.db2.gz ALPVPVGQMKFUTN-DNVCBOLYSA-N 1 2 391.471 3.983 50 0 GHAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000023805636 570372830 /nfs/dbraw/zinc/37/28/30/570372830.db2.gz ALPVPVGQMKFUTN-DNVCBOLYSA-N 1 2 391.471 3.983 50 0 GHAALO COc1ccc(CCNC(=O)Nc2ccc(-c3c[nH+]c4n3CCC4)cc2)cc1 ZINC000090607230 570383102 /nfs/dbraw/zinc/38/31/02/570383102.db2.gz CLOJFXWSUIYXEF-UHFFFAOYSA-N 1 2 376.460 3.869 50 0 GHAALO Cc1onc(-c2ccc(F)cc2F)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035536155 570390470 /nfs/dbraw/zinc/39/04/70/570390470.db2.gz JMCDGOVADWFGSP-UHFFFAOYSA-N 1 2 397.425 3.886 50 0 GHAALO O=C(CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2)NCc1ccccc1F ZINC000032752928 570393615 /nfs/dbraw/zinc/39/36/15/570393615.db2.gz GFDYHFHYBMRTOW-UHFFFAOYSA-N 1 2 384.411 3.798 50 0 GHAALO C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025329496 570411109 /nfs/dbraw/zinc/41/11/09/570411109.db2.gz PYLMYDSYZKUBKV-KXBFYZLASA-N 1 2 392.421 3.897 50 0 GHAALO COc1ccc(OC)c(C[NH+]2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c1 ZINC000025538822 570415710 /nfs/dbraw/zinc/41/57/10/570415710.db2.gz QHVOQEUCAPZAMA-UHFFFAOYSA-N 1 2 382.504 3.785 50 0 GHAALO O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026539241 570426435 /nfs/dbraw/zinc/42/64/35/570426435.db2.gz XSEXWLBVUIVOJH-UHFFFAOYSA-N 1 2 393.270 3.680 50 0 GHAALO Cc1c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)cnn1-c1ccccc1 ZINC000030000220 570484047 /nfs/dbraw/zinc/48/40/47/570484047.db2.gz QGLNTMRPQSBXRI-FQEVSTJZSA-N 1 2 389.434 3.573 50 0 GHAALO Cc1ccc(-c2noc([C@@H](C)[NH+]3CCN(Cc4ccncc4Cl)CC3)n2)cc1 ZINC000173531343 570516262 /nfs/dbraw/zinc/51/62/62/570516262.db2.gz HHDITJIXJAIMOX-MRXNPFEDSA-N 1 2 397.910 3.972 50 0 GHAALO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2F)cc1 ZINC000036102978 570540225 /nfs/dbraw/zinc/54/02/25/570540225.db2.gz YTGPDSAABQVBOV-GOSISDBHSA-N 1 2 385.435 3.869 50 0 GHAALO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2F)cc1 ZINC000036102978 570540227 /nfs/dbraw/zinc/54/02/27/570540227.db2.gz YTGPDSAABQVBOV-GOSISDBHSA-N 1 2 385.435 3.869 50 0 GHAALO O=S(=O)(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022767459 570544206 /nfs/dbraw/zinc/54/42/06/570544206.db2.gz RXBMQLYABNGZAC-NRFANRHFSA-N 1 2 398.553 3.826 50 0 GHAALO O=S(=O)(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000022767459 570544208 /nfs/dbraw/zinc/54/42/08/570544208.db2.gz RXBMQLYABNGZAC-NRFANRHFSA-N 1 2 398.553 3.826 50 0 GHAALO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(F)cc3)n2)c(OC)c1OC ZINC000011766160 570582128 /nfs/dbraw/zinc/58/21/28/570582128.db2.gz ZDKBCKVCAZUQJQ-UHFFFAOYSA-N 1 2 387.411 3.534 50 0 GHAALO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(F)cc3)n2)c(OC)c1OC ZINC000011766160 570582129 /nfs/dbraw/zinc/58/21/29/570582129.db2.gz ZDKBCKVCAZUQJQ-UHFFFAOYSA-N 1 2 387.411 3.534 50 0 GHAALO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(F)c(F)c2F)cc1OC ZINC000003584285 570612078 /nfs/dbraw/zinc/61/20/78/570612078.db2.gz MBSSZSQWASKNCV-UHFFFAOYSA-N 1 2 382.382 3.582 50 0 GHAALO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(F)c(F)c2F)cc1OC ZINC000003584285 570612084 /nfs/dbraw/zinc/61/20/84/570612084.db2.gz MBSSZSQWASKNCV-UHFFFAOYSA-N 1 2 382.382 3.582 50 0 GHAALO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000012299876 570635391 /nfs/dbraw/zinc/63/53/91/570635391.db2.gz QSSOTPYGUVWNMK-UHFFFAOYSA-N 1 2 395.425 3.817 50 0 GHAALO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000012299876 570635392 /nfs/dbraw/zinc/63/53/92/570635392.db2.gz QSSOTPYGUVWNMK-UHFFFAOYSA-N 1 2 395.425 3.817 50 0 GHAALO CCCC[N@H+](C)Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1 ZINC000012301868 570636309 /nfs/dbraw/zinc/63/63/09/570636309.db2.gz IXLXETORLAKBMH-UHFFFAOYSA-N 1 2 377.554 3.540 50 0 GHAALO CCCC[N@@H+](C)Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1 ZINC000012301868 570636310 /nfs/dbraw/zinc/63/63/10/570636310.db2.gz IXLXETORLAKBMH-UHFFFAOYSA-N 1 2 377.554 3.540 50 0 GHAALO CC(C)(C)OC(=O)N(CC(=O)OCCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000239667895 570684060 /nfs/dbraw/zinc/68/40/60/570684060.db2.gz BRWLCMYHQBUGBP-UHFFFAOYSA-N 1 2 395.459 3.862 50 0 GHAALO CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000055211583 570687400 /nfs/dbraw/zinc/68/74/00/570687400.db2.gz AATNXLRILQHNNJ-IBGZPJMESA-N 1 2 382.851 3.666 50 0 GHAALO O=C(CC[N@H+]1CCC[C@H]1c1nc2ccc(F)cc2[nH]1)NCc1ccccc1F ZINC000244719068 570695361 /nfs/dbraw/zinc/69/53/61/570695361.db2.gz LWJJGXOYSAAHST-IBGZPJMESA-N 1 2 384.430 3.685 50 0 GHAALO O=C(CC[N@@H+]1CCC[C@H]1c1nc2ccc(F)cc2[nH]1)NCc1ccccc1F ZINC000244719068 570695364 /nfs/dbraw/zinc/69/53/64/570695364.db2.gz LWJJGXOYSAAHST-IBGZPJMESA-N 1 2 384.430 3.685 50 0 GHAALO COc1cc(-c2nc(C[N@H+](CCO)Cc3cccs3)c(C)o2)ccc1F ZINC000012717218 570704900 /nfs/dbraw/zinc/70/49/00/570704900.db2.gz OHOZMEUOXUVTPP-UHFFFAOYSA-N 1 2 376.453 3.854 50 0 GHAALO COc1cc(-c2nc(C[N@@H+](CCO)Cc3cccs3)c(C)o2)ccc1F ZINC000012717218 570704903 /nfs/dbraw/zinc/70/49/03/570704903.db2.gz OHOZMEUOXUVTPP-UHFFFAOYSA-N 1 2 376.453 3.854 50 0 GHAALO CN(C)S(=O)(=O)c1cccc(C[N@H+](C)Cc2cccc(Cl)c2Cl)c1 ZINC000058160874 570712695 /nfs/dbraw/zinc/71/26/95/570712695.db2.gz FRKOCLKUOKOPSK-UHFFFAOYSA-N 1 2 387.332 3.876 50 0 GHAALO CN(C)S(=O)(=O)c1cccc(C[N@@H+](C)Cc2cccc(Cl)c2Cl)c1 ZINC000058160874 570712697 /nfs/dbraw/zinc/71/26/97/570712697.db2.gz FRKOCLKUOKOPSK-UHFFFAOYSA-N 1 2 387.332 3.876 50 0 GHAALO c1c(C[NH+]2CCN(c3nc4ccccc4s3)CC2)onc1-c1ccncc1 ZINC000252509834 570729337 /nfs/dbraw/zinc/72/93/37/570729337.db2.gz YWMXUPXQOQBDKW-UHFFFAOYSA-N 1 2 377.473 3.669 50 0 GHAALO CCc1cccc2sc(N(CCC[NH+]3CCOCC3)C(=O)c3ccco3)nc21 ZINC000022997360 570775695 /nfs/dbraw/zinc/77/56/95/570775695.db2.gz SEIVCBYXNPUEQR-UHFFFAOYSA-N 1 2 399.516 3.821 50 0 GHAALO Cc1ccc(NC(=O)Cn2ncc3c2nc[nH+]c3N2CCCCCC2)cc1Cl ZINC000065295241 570786892 /nfs/dbraw/zinc/78/68/92/570786892.db2.gz MXWOSKKTJMDTCB-UHFFFAOYSA-N 1 2 398.898 3.807 50 0 GHAALO C[C@H](Cc1ccco1)NC(=O)C1CCN(c2[nH]c3ccc(Cl)cc3[nH+]2)CC1 ZINC000033071187 570803198 /nfs/dbraw/zinc/80/31/98/570803198.db2.gz KKZNNZVXVWIWOE-CYBMUJFWSA-N 1 2 386.883 3.773 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(c2ccccc2)CC1)c1cccc(F)c1 ZINC000032802395 570821209 /nfs/dbraw/zinc/82/12/09/570821209.db2.gz GPKWGUBKKSGPFB-IBGZPJMESA-N 1 2 378.451 3.680 50 0 GHAALO Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000012525455 570830136 /nfs/dbraw/zinc/83/01/36/570830136.db2.gz BYXDSCBPUAFCNY-JOCHJYFZSA-N 1 2 375.472 3.906 50 0 GHAALO Cc1cc(C)c(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)c(C)c1 ZINC000012541436 570842037 /nfs/dbraw/zinc/84/20/37/570842037.db2.gz XZAKQOWBFIUYIR-GOSISDBHSA-N 1 2 387.480 3.552 50 0 GHAALO C[C@@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547605 570849281 /nfs/dbraw/zinc/84/92/81/570849281.db2.gz CGPPGHYRRVXQBX-OAHLLOKOSA-N 1 2 392.484 3.876 50 0 GHAALO Cc1cc(C)n(Cc2cccc(C(=O)NCCCCNc3cccc[nH+]3)c2)n1 ZINC000078456356 570908559 /nfs/dbraw/zinc/90/85/59/570908559.db2.gz RBHYBRNAOSKZAN-UHFFFAOYSA-N 1 2 377.492 3.565 50 0 GHAALO CCOc1ccc(-c2nc(CC(=O)N[C@@H](c3[nH+]ccn3C)C(C)C)cs2)cc1 ZINC000032931734 570946410 /nfs/dbraw/zinc/94/64/10/570946410.db2.gz QEMNXFYGPZKMSC-LJQANCHMSA-N 1 2 398.532 3.998 50 0 GHAALO Cc1c(Cl)cccc1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000033280301 570954185 /nfs/dbraw/zinc/95/41/85/570954185.db2.gz NYYQJWKUIWDPGR-UHFFFAOYSA-N 1 2 376.913 3.918 50 0 GHAALO O=C(c1ccccc1)c1ccccc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027253260 570973375 /nfs/dbraw/zinc/97/33/75/570973375.db2.gz CZKOBZBYLAGOKM-UHFFFAOYSA-N 1 2 398.506 3.918 50 0 GHAALO COC(=O)c1c2c(sc1NC(=O)Cc1cn3ccccc3[nH+]1)CCCCC2 ZINC000083891625 570977702 /nfs/dbraw/zinc/97/77/02/570977702.db2.gz ABJFOARPHJZWQI-UHFFFAOYSA-N 1 2 383.473 3.633 50 0 GHAALO O=C([C@H](F)C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025868729 570981364 /nfs/dbraw/zinc/98/13/64/570981364.db2.gz IUGWFAGUFNIPTR-SFHVURJKSA-N 1 2 380.385 3.821 50 0 GHAALO O=C(C(F)C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025868729 570981370 /nfs/dbraw/zinc/98/13/70/570981370.db2.gz IUGWFAGUFNIPTR-SFHVURJKSA-N 1 2 380.385 3.821 50 0 GHAALO C[C@H]1CCCN(C(=O)C2CC[NH+](Cn3c4ccccc4n(C)c3=S)CC2)C1 ZINC000045801748 570997126 /nfs/dbraw/zinc/99/71/26/570997126.db2.gz YMWSKWFURULIRR-INIZCTEOSA-N 1 2 386.565 3.637 50 0 GHAALO Cc1[nH]c(CN2CCC[C@@H]2c2ccc(C(=O)NCCc3ccco3)s2)c[nH+]1 ZINC000023478548 837274860 /nfs/dbraw/zinc/27/48/60/837274860.db2.gz YLKYDVWNRKGDLE-QGZVFWFLSA-N 1 2 384.505 3.682 50 0 GHAALO CCC[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000057703771 862222262 /nfs/dbraw/zinc/22/22/62/862222262.db2.gz VKQWTCXKRBAGGW-UHFFFAOYSA-N 1 2 395.415 3.862 50 0 GHAALO O=C(c1ccccn1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000031164864 862499806 /nfs/dbraw/zinc/49/98/06/862499806.db2.gz LNRGHNQMWYOAHK-UHFFFAOYSA-N 1 2 381.476 3.907 50 0 GHAALO Cc1c(C(=O)N2CCC[C@@H](Nc3ccc(N(C)C)[nH+]c3)CC2)cnn1C(C)(C)C ZINC000253395221 855007762 /nfs/dbraw/zinc/00/77/62/855007762.db2.gz VLRFEJMYYRFEBR-QGZVFWFLSA-N 1 2 398.555 3.514 50 0 GHAALO COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1OC ZINC000040151841 856683708 /nfs/dbraw/zinc/68/37/08/856683708.db2.gz IOGNIZKOKBEVBK-DLBZAZTESA-N 1 2 383.492 3.501 50 0 GHAALO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000009591754 857246546 /nfs/dbraw/zinc/24/65/46/857246546.db2.gz FEOLUDQMPMHOAL-KRWDZBQOSA-N 1 2 381.407 3.984 50 0 GHAALO Fc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000009591754 857246549 /nfs/dbraw/zinc/24/65/49/857246549.db2.gz FEOLUDQMPMHOAL-KRWDZBQOSA-N 1 2 381.407 3.984 50 0 GHAALO C[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008012691 863000070 /nfs/dbraw/zinc/00/00/70/863000070.db2.gz MSSLBDVYBPIQMK-HTAPYJJXSA-N 1 2 391.471 3.921 50 0 GHAALO COc1ccc(C(=O)N2CC[C@@H](c3[nH+]cc(C)n3Cc3ccccc3)C2)cc1 ZINC000581815691 870044347 /nfs/dbraw/zinc/04/43/47/870044347.db2.gz GFNQYFRQKZZVDJ-HXUWFJFHSA-N 1 2 375.472 3.878 50 0 GHAALO CC(C)c1cccc2c1CCN(C(=O)NC1CCN(c3cccc[nH+]3)CC1)C2 ZINC000190108394 905543303 /nfs/dbraw/zinc/54/33/03/905543303.db2.gz HDQDKXVGCFLERH-UHFFFAOYSA-N 1 2 378.520 3.942 50 0 GHAALO C[C@H](NC(=O)[C@H](C)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000254484492 916738516 /nfs/dbraw/zinc/73/85/16/916738516.db2.gz CFQZUFSGKYLOHN-MXRGVBKWSA-N 1 2 377.532 3.583 50 0 GHAALO C[N@H+](Cc1cc(C(=O)N2CCC[C@@H]2c2nccs2)no1)Cc1ccccc1 ZINC000012749375 919300931 /nfs/dbraw/zinc/30/09/31/919300931.db2.gz UPVWTUIEEBNWSZ-GOSISDBHSA-N 1 2 382.489 3.740 50 0 GHAALO C[N@@H+](Cc1cc(C(=O)N2CCC[C@@H]2c2nccs2)no1)Cc1ccccc1 ZINC000012749375 919300953 /nfs/dbraw/zinc/30/09/53/919300953.db2.gz UPVWTUIEEBNWSZ-GOSISDBHSA-N 1 2 382.489 3.740 50 0 GHAALO O=C(NCc1coc(-c2ccccc2)n1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000426401864 231215042 /nfs/dbraw/zinc/21/50/42/231215042.db2.gz LWKOJTZGEDYTQB-IBGZPJMESA-N 1 2 379.464 3.693 50 0 GHAALO CCOc1ccc(CN2CC[NH+](Cc3ccc(OC)c(OCC)c3)CC2)cc1 ZINC000019359665 210244018 /nfs/dbraw/zinc/24/40/18/210244018.db2.gz IWTNLBZLVSUQLX-UHFFFAOYSA-N 1 2 384.520 3.810 50 0 GHAALO O=C(NC[C@H]1CCCCO1)c1cccc(-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000426477863 231225702 /nfs/dbraw/zinc/22/57/02/231225702.db2.gz GVWAGVDHAFZEBP-JOCHJYFZSA-N 1 2 375.472 3.897 50 0 GHAALO O=C1C[C@H]([N@@H+]2CC=C(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018093506 210213634 /nfs/dbraw/zinc/21/36/34/210213634.db2.gz FVAFGMLAISESTJ-IBGZPJMESA-N 1 2 384.838 3.900 50 0 GHAALO O=C1C[C@H]([N@H+]2CC=C(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018093506 210213636 /nfs/dbraw/zinc/21/36/36/210213636.db2.gz FVAFGMLAISESTJ-IBGZPJMESA-N 1 2 384.838 3.900 50 0 GHAALO CCc1ccc2oc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000015859929 210175040 /nfs/dbraw/zinc/17/50/40/210175040.db2.gz SXTPFCUQALEHHG-SFHVURJKSA-N 1 2 394.471 3.905 50 0 GHAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)c3cccc(N(C)C)c3)cc12 ZINC000015825841 210170746 /nfs/dbraw/zinc/17/07/46/210170746.db2.gz YITSHFGVOQFHRU-UHFFFAOYSA-N 1 2 390.487 3.698 50 0 GHAALO CCOC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000015073366 210149320 /nfs/dbraw/zinc/14/93/20/210149320.db2.gz LYBKWWCBDVGUIG-CYBMUJFWSA-N 1 2 383.370 3.531 50 0 GHAALO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000015073366 210149327 /nfs/dbraw/zinc/14/93/27/210149327.db2.gz LYBKWWCBDVGUIG-CYBMUJFWSA-N 1 2 383.370 3.531 50 0 GHAALO Cc1cccn2cc(-c3cccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)c3)[nH+]c12 ZINC000013211517 210055485 /nfs/dbraw/zinc/05/54/85/210055485.db2.gz LCRUWXINYHDESZ-IYBDPMFKSA-N 1 2 383.517 3.976 50 0 GHAALO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000013095374 210049924 /nfs/dbraw/zinc/04/99/24/210049924.db2.gz WBVWVZLSAVFTSO-UHFFFAOYSA-N 1 2 388.895 3.705 50 0 GHAALO C[N@@H+](Cc1ccccc1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000013061745 210049607 /nfs/dbraw/zinc/04/96/07/210049607.db2.gz MHQUEAVJFBTXHK-UHFFFAOYSA-N 1 2 385.467 3.572 50 0 GHAALO C[N@H+](Cc1ccccc1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000013061745 210049612 /nfs/dbraw/zinc/04/96/12/210049612.db2.gz MHQUEAVJFBTXHK-UHFFFAOYSA-N 1 2 385.467 3.572 50 0 GHAALO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000013010584 210045194 /nfs/dbraw/zinc/04/51/94/210045194.db2.gz JDDXWMJESCEDCY-KRWDZBQOSA-N 1 2 388.489 3.709 50 0 GHAALO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000013010584 210045199 /nfs/dbraw/zinc/04/51/99/210045199.db2.gz JDDXWMJESCEDCY-KRWDZBQOSA-N 1 2 388.489 3.709 50 0 GHAALO O=C(CCSCc1cn2ccccc2[nH+]1)Nc1nnc(-c2ccco2)s1 ZINC000012758331 210002836 /nfs/dbraw/zinc/00/28/36/210002836.db2.gz KTSGMEBYWDCFJT-UHFFFAOYSA-N 1 2 385.474 3.708 50 0 GHAALO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000229816848 209190110 /nfs/dbraw/zinc/19/01/10/209190110.db2.gz SBYJYWIHRYCPIM-HUUCEWRRSA-N 1 2 383.883 3.589 50 0 GHAALO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000229816848 209190113 /nfs/dbraw/zinc/19/01/13/209190113.db2.gz SBYJYWIHRYCPIM-HUUCEWRRSA-N 1 2 383.883 3.589 50 0 GHAALO COc1cccc(C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCOCC2)c1 ZINC000023106457 211784579 /nfs/dbraw/zinc/78/45/79/211784579.db2.gz KPTPOCYDLHSFJI-QHCPKHFHSA-N 1 2 390.483 3.652 50 0 GHAALO CC[C@@H](C)N(Cc1ccncc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000096133002 211304093 /nfs/dbraw/zinc/30/40/93/211304093.db2.gz PFNVZQDEXLAQLP-GOSISDBHSA-N 1 2 382.508 3.746 50 0 GHAALO CCc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)s1 ZINC000095528838 211274107 /nfs/dbraw/zinc/27/41/07/211274107.db2.gz PXRWVFNWHQPWHF-INIZCTEOSA-N 1 2 380.517 3.970 50 0 GHAALO COc1ccc(NC(=O)C[NH+]2CCC(Oc3cccc(C)n3)CC2)cc1Cl ZINC000095462513 211243865 /nfs/dbraw/zinc/24/38/65/211243865.db2.gz LEOBDNBIUTWQFZ-UHFFFAOYSA-N 1 2 389.883 3.534 50 0 GHAALO O=C(c1ccc2ccccc2n1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000095456446 211241903 /nfs/dbraw/zinc/24/19/03/211241903.db2.gz SNTXNZHGIXIQQN-UHFFFAOYSA-N 1 2 382.467 3.873 50 0 GHAALO O=C(c1ccccn1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2c(Cl)cncc2Cl)C1 ZINC000095353621 211221218 /nfs/dbraw/zinc/22/12/18/211221218.db2.gz UIPUZHYHWHVISS-ZIAGYGMSSA-N 1 2 391.302 3.520 50 0 GHAALO O=C(c1ccccn1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2c(Cl)cncc2Cl)C1 ZINC000095353621 211221222 /nfs/dbraw/zinc/22/12/22/211221222.db2.gz UIPUZHYHWHVISS-ZIAGYGMSSA-N 1 2 391.302 3.520 50 0 GHAALO C[C@@H](C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)n1cnc2ccccc21 ZINC000089420169 211180636 /nfs/dbraw/zinc/18/06/36/211180636.db2.gz ZMEYDSWHQIWGOG-INIZCTEOSA-N 1 2 382.895 3.595 50 0 GHAALO CCc1nnc([C@H](C)[N@@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)o1 ZINC000089296185 211179397 /nfs/dbraw/zinc/17/93/97/211179397.db2.gz PSXNSBFFDUSXPK-ZDUSSCGKSA-N 1 2 377.876 3.586 50 0 GHAALO CCc1nnc([C@H](C)[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)o1 ZINC000089296185 211179400 /nfs/dbraw/zinc/17/94/00/211179400.db2.gz PSXNSBFFDUSXPK-ZDUSSCGKSA-N 1 2 377.876 3.586 50 0 GHAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3snnc3C(C)C)C2)cc1F ZINC000071771691 211063186 /nfs/dbraw/zinc/06/31/86/211063186.db2.gz GZBFRCFAVQEKPD-AWEZNQCLSA-N 1 2 377.485 3.904 50 0 GHAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3snnc3C(C)C)C2)cc1F ZINC000071771691 211063191 /nfs/dbraw/zinc/06/31/91/211063191.db2.gz GZBFRCFAVQEKPD-AWEZNQCLSA-N 1 2 377.485 3.904 50 0 GHAALO Nc1cc(N2CCc3[nH]nc(C(c4ccccc4)c4ccccc4)c3C2)nc[nH+]1 ZINC000067921267 211029086 /nfs/dbraw/zinc/02/90/86/211029086.db2.gz QKXVLHMJDZWIFN-UHFFFAOYSA-N 1 2 382.471 3.525 50 0 GHAALO Nc1cc(N2CCc3[nH]nc(C(c4ccccc4)c4ccccc4)c3C2)[nH+]cn1 ZINC000067921267 211029089 /nfs/dbraw/zinc/02/90/89/211029089.db2.gz QKXVLHMJDZWIFN-UHFFFAOYSA-N 1 2 382.471 3.525 50 0 GHAALO Nc1cc(N2CCc3n[nH]c(C(c4ccccc4)c4ccccc4)c3C2)nc[nH+]1 ZINC000067921267 211029092 /nfs/dbraw/zinc/02/90/92/211029092.db2.gz QKXVLHMJDZWIFN-UHFFFAOYSA-N 1 2 382.471 3.525 50 0 GHAALO CC(C)N(C)C(=O)C[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067459057 211009749 /nfs/dbraw/zinc/00/97/49/211009749.db2.gz RMYVQBRANBMZFX-UHFFFAOYSA-N 1 2 388.895 3.774 50 0 GHAALO CC(C)N(C)C(=O)C[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067459057 211009751 /nfs/dbraw/zinc/00/97/51/211009751.db2.gz RMYVQBRANBMZFX-UHFFFAOYSA-N 1 2 388.895 3.774 50 0 GHAALO Cc1cc(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)[nH+]c2cc(F)ccc12 ZINC000067540932 211011632 /nfs/dbraw/zinc/01/16/32/211011632.db2.gz JNDXAMZVPBUYDG-PKOBYXMFSA-N 1 2 380.419 3.766 50 0 GHAALO Cc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCCCC4)c(CO)c3)cc2c1 ZINC000020890811 210366332 /nfs/dbraw/zinc/36/63/32/210366332.db2.gz QCKATEDTWUZNSU-UHFFFAOYSA-N 1 2 377.488 3.931 50 0 GHAALO OCC[C@@H]1CN(Cc2ccccc2Cl)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000020783884 210361800 /nfs/dbraw/zinc/36/18/00/210361800.db2.gz OGLMZDAFJFIBFD-QGZVFWFLSA-N 1 2 380.866 3.687 50 0 GHAALO OCC[C@@H]1CN(Cc2ccccc2Cl)CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000020783884 210361803 /nfs/dbraw/zinc/36/18/03/210361803.db2.gz OGLMZDAFJFIBFD-QGZVFWFLSA-N 1 2 380.866 3.687 50 0 GHAALO OCC[C@@H]1C[N@H+](Cc2ccccc2Cl)CCN1Cc1ccc(F)c(F)c1 ZINC000020783884 210361792 /nfs/dbraw/zinc/36/17/92/210361792.db2.gz OGLMZDAFJFIBFD-QGZVFWFLSA-N 1 2 380.866 3.687 50 0 GHAALO OCC[C@@H]1C[N@@H+](Cc2ccccc2Cl)CCN1Cc1ccc(F)c(F)c1 ZINC000020783884 210361794 /nfs/dbraw/zinc/36/17/94/210361794.db2.gz OGLMZDAFJFIBFD-QGZVFWFLSA-N 1 2 380.866 3.687 50 0 GHAALO CCn1cncc1C[N@@H+]1CCC[C@@H]1c1ccc(C(=O)NCc2ccoc2)s1 ZINC000020539837 210347014 /nfs/dbraw/zinc/34/70/14/210347014.db2.gz VCHCDOVHKUBYSS-QGZVFWFLSA-N 1 2 384.505 3.825 50 0 GHAALO CCn1cncc1C[N@H+]1CCC[C@@H]1c1ccc(C(=O)NCc2ccoc2)s1 ZINC000020539837 210347017 /nfs/dbraw/zinc/34/70/17/210347017.db2.gz VCHCDOVHKUBYSS-QGZVFWFLSA-N 1 2 384.505 3.825 50 0 GHAALO CCn1cncc1C[N@@H+]1CCC[C@H]1c1ccc(C(=O)NCc2ccoc2)s1 ZINC000020539839 210346236 /nfs/dbraw/zinc/34/62/36/210346236.db2.gz VCHCDOVHKUBYSS-KRWDZBQOSA-N 1 2 384.505 3.825 50 0 GHAALO CCn1cncc1C[N@H+]1CCC[C@H]1c1ccc(C(=O)NCc2ccoc2)s1 ZINC000020539839 210346239 /nfs/dbraw/zinc/34/62/39/210346239.db2.gz VCHCDOVHKUBYSS-KRWDZBQOSA-N 1 2 384.505 3.825 50 0 GHAALO COc1c(Cl)cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000020362954 210329567 /nfs/dbraw/zinc/32/95/67/210329567.db2.gz VRRWVNJKZMBOPC-UHFFFAOYSA-N 1 2 379.287 3.960 50 0 GHAALO Cc1ccc(-c2nc(=S)c3c(n2CC[NH+]2CCOCC2)CC(C)(C)OC3)cc1 ZINC000020266048 210327058 /nfs/dbraw/zinc/32/70/58/210327058.db2.gz SDRLKLGMTGXZGN-UHFFFAOYSA-N 1 2 399.560 3.772 50 0 GHAALO CCN(CC)C(=O)c1sc2nc3c(cc2c1N)C[N@@H+](Cc1ccccc1)CC3 ZINC000020289840 210326239 /nfs/dbraw/zinc/32/62/39/210326239.db2.gz YRGJGTCYMOOZLC-UHFFFAOYSA-N 1 2 394.544 3.919 50 0 GHAALO CCN(CC)C(=O)c1sc2nc3c(cc2c1N)C[N@H+](Cc1ccccc1)CC3 ZINC000020289840 210326243 /nfs/dbraw/zinc/32/62/43/210326243.db2.gz YRGJGTCYMOOZLC-UHFFFAOYSA-N 1 2 394.544 3.919 50 0 GHAALO Cc1c(C2N3CC4(C)C[N@@H+]2CC(c2ccccc2)(C3)C4=O)c2ccccc2n1C ZINC000020444160 210333270 /nfs/dbraw/zinc/33/32/70/210333270.db2.gz QBEZGJDWZMMTSW-UHFFFAOYSA-N 1 2 385.511 3.644 50 0 GHAALO Cc1c(C2N3CC4(C)C[N@H+]2CC(c2ccccc2)(C3)C4=O)c2ccccc2n1C ZINC000020444160 210333274 /nfs/dbraw/zinc/33/32/74/210333274.db2.gz QBEZGJDWZMMTSW-UHFFFAOYSA-N 1 2 385.511 3.644 50 0 GHAALO CCc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2ccco2)cc1 ZINC000020107738 210315790 /nfs/dbraw/zinc/31/57/90/210315790.db2.gz ARALTSMXZHKZOS-UHFFFAOYSA-N 1 2 387.549 3.763 50 0 GHAALO CCCCn1c(C[N@@H+]2CCC[C@H](c3ccccc3)C2)cnc1S(=O)(=O)CC ZINC000019840174 210302134 /nfs/dbraw/zinc/30/21/34/210302134.db2.gz RWEGYEDNBWWIPI-IBGZPJMESA-N 1 2 389.565 3.856 50 0 GHAALO CCCCn1c(C[N@H+]2CCC[C@H](c3ccccc3)C2)cnc1S(=O)(=O)CC ZINC000019840174 210302141 /nfs/dbraw/zinc/30/21/41/210302141.db2.gz RWEGYEDNBWWIPI-IBGZPJMESA-N 1 2 389.565 3.856 50 0 GHAALO CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019797613 210298622 /nfs/dbraw/zinc/29/86/22/210298622.db2.gz KCVBQLZCVGZOBO-UHFFFAOYSA-N 1 2 379.504 3.629 50 0 GHAALO Cc1cc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)ccc1Br ZINC000019810298 210298644 /nfs/dbraw/zinc/29/86/44/210298644.db2.gz OWBLGZYPCNYGGQ-UHFFFAOYSA-N 1 2 389.293 3.842 50 0 GHAALO COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@H+](C(C)C)CC4)cc1 ZINC000019874722 210303896 /nfs/dbraw/zinc/30/38/96/210303896.db2.gz DVVGOUBFSRNGKH-UHFFFAOYSA-N 1 2 396.516 3.906 50 0 GHAALO COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@@H+](C(C)C)CC4)cc1 ZINC000019874722 210303899 /nfs/dbraw/zinc/30/38/99/210303899.db2.gz DVVGOUBFSRNGKH-UHFFFAOYSA-N 1 2 396.516 3.906 50 0 GHAALO COCc1noc(-c2ccc(N3CCC[C@@H](c4[nH]c5ccccc5[nH+]4)C3)nc2)n1 ZINC000072477532 136171410 /nfs/dbraw/zinc/17/14/10/136171410.db2.gz VSKMPIMLZHOZPB-OAHLLOKOSA-N 1 2 390.447 3.538 50 0 GHAALO Cc1cc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)[nH+]c2ccccc12 ZINC000095389227 136178964 /nfs/dbraw/zinc/17/89/64/136178964.db2.gz WOYCRYOMKOSIBJ-LJQANCHMSA-N 1 2 393.531 3.931 50 0 GHAALO CC(C)c1ccc(-c2noc(C[NH+]3CCN(c4ccccc4O)CC3)n2)cc1 ZINC000015378401 136201839 /nfs/dbraw/zinc/20/18/39/136201839.db2.gz XLUMQQMIFYJVPC-UHFFFAOYSA-N 1 2 378.476 3.888 50 0 GHAALO COc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1Br ZINC000000752328 524033917 /nfs/dbraw/zinc/03/39/17/524033917.db2.gz ZOHXLMHJWRSGFT-UHFFFAOYSA-N 1 2 379.273 3.919 50 0 GHAALO CCN(CC)c1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)c[nH+]1 ZINC000048299225 570233786 /nfs/dbraw/zinc/23/37/86/570233786.db2.gz HTQSBYBSMXPCMH-UHFFFAOYSA-N 1 2 383.883 3.901 50 0 GHAALO O=C(NCc1ccc(OC(F)F)cc1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000048302832 570235320 /nfs/dbraw/zinc/23/53/20/570235320.db2.gz JNIVXXIBJPGTBC-GOSISDBHSA-N 1 2 392.471 3.694 50 0 GHAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000048333723 570238020 /nfs/dbraw/zinc/23/80/20/570238020.db2.gz OXZYKLVFFNHROZ-INIZCTEOSA-N 1 2 377.897 3.725 50 0 GHAALO COc1ccc(OC)c(Nc2ncc3c(n2)CC[N@@H+](Cc2cccc(F)c2)C3)c1 ZINC000015779073 570243796 /nfs/dbraw/zinc/24/37/96/570243796.db2.gz KDRDUDXGVSARBN-UHFFFAOYSA-N 1 2 394.450 3.935 50 0 GHAALO COc1ccc(OC)c(Nc2ncc3c(n2)CC[N@H+](Cc2cccc(F)c2)C3)c1 ZINC000015779073 570243797 /nfs/dbraw/zinc/24/37/97/570243797.db2.gz KDRDUDXGVSARBN-UHFFFAOYSA-N 1 2 394.450 3.935 50 0 GHAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc(Br)ccc1F)C2 ZINC000112668071 570254284 /nfs/dbraw/zinc/25/42/84/570254284.db2.gz OIDMOFFJKUNWGD-UHFFFAOYSA-N 1 2 380.261 3.644 50 0 GHAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(Br)c(F)c1)C2 ZINC000112667321 570254305 /nfs/dbraw/zinc/25/43/05/570254305.db2.gz YBSZNPHEGGJSEK-UHFFFAOYSA-N 1 2 380.261 3.644 50 0 GHAALO Cc1ccc(Cn2ncc3c2nc[nH+]c3N2CCN(c3ccccc3C)CC2)cc1 ZINC000001421332 570262511 /nfs/dbraw/zinc/26/25/11/570262511.db2.gz QFKWGNHOYQRRKI-UHFFFAOYSA-N 1 2 398.514 3.818 50 0 GHAALO O=C(CC1=CSC2=[NH+]CCN12)N1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000102393493 570288768 /nfs/dbraw/zinc/28/87/68/570288768.db2.gz ZOMNEGMMAFDEDX-CQSZACIVSA-N 1 2 391.487 3.786 50 0 GHAALO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc(F)cc2)CCO1)C(=O)c1ccccc1 ZINC000034670507 570293428 /nfs/dbraw/zinc/29/34/28/570293428.db2.gz SMQLLZHIWLJMMD-JOCHJYFZSA-N 1 2 384.495 3.825 50 0 GHAALO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1)C(=O)c1ccccc1 ZINC000034670507 570293430 /nfs/dbraw/zinc/29/34/30/570293430.db2.gz SMQLLZHIWLJMMD-JOCHJYFZSA-N 1 2 384.495 3.825 50 0 GHAALO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCO1)C(=O)c1ccccc1 ZINC000034670505 570293500 /nfs/dbraw/zinc/29/35/00/570293500.db2.gz SMQLLZHIWLJMMD-QFIPXVFZSA-N 1 2 384.495 3.825 50 0 GHAALO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1)C(=O)c1ccccc1 ZINC000034670505 570293505 /nfs/dbraw/zinc/29/35/05/570293505.db2.gz SMQLLZHIWLJMMD-QFIPXVFZSA-N 1 2 384.495 3.825 50 0 GHAALO CN1CC[NH+](Cc2ccc(C(=O)c3ccc(Br)c(F)c3)cc2)CC1 ZINC000022027924 570302751 /nfs/dbraw/zinc/30/27/51/570302751.db2.gz IHRXFNLJFIJFHP-UHFFFAOYSA-N 1 2 391.284 3.567 50 0 GHAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cc(Br)ccc1F ZINC000012951956 570319038 /nfs/dbraw/zinc/31/90/38/570319038.db2.gz VXVYTDMZIBWXEY-UHFFFAOYSA-N 1 2 378.245 3.513 50 0 GHAALO Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022915943 570335157 /nfs/dbraw/zinc/33/51/57/570335157.db2.gz NCZTUIHOJMQLLJ-HNNXBMFYSA-N 1 2 377.941 3.855 50 0 GHAALO O=C(NC1CC1)C1CCN(c2[nH+]c3ccccc3n2CCc2ccccc2)CC1 ZINC000034910102 570340568 /nfs/dbraw/zinc/34/05/68/570340568.db2.gz REKRHDILNMBGCG-UHFFFAOYSA-N 1 2 388.515 3.774 50 0 GHAALO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000035400186 570350380 /nfs/dbraw/zinc/35/03/80/570350380.db2.gz DWHOKXPEZHFKMN-FUHIMQAGSA-N 1 2 378.497 3.604 50 0 GHAALO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000035400186 570350383 /nfs/dbraw/zinc/35/03/83/570350383.db2.gz DWHOKXPEZHFKMN-FUHIMQAGSA-N 1 2 378.497 3.604 50 0 GHAALO COc1ccc(Br)cc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000055543628 570351058 /nfs/dbraw/zinc/35/10/58/570351058.db2.gz GZLYIAJCYJDZQO-UHFFFAOYSA-N 1 2 379.273 3.919 50 0 GHAALO Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CC[NH+](Cc2ncccc2C)CC1 ZINC000023250407 570352774 /nfs/dbraw/zinc/35/27/74/570352774.db2.gz LDFWGWTVSBCQIV-UHFFFAOYSA-N 1 2 398.457 3.949 50 0 GHAALO C[C@@H]1CCCC[C@@]12NC(=O)N(C[N@H+](C)Cc1ccccc1N1CCCCC1)C2=O ZINC000023653857 570368826 /nfs/dbraw/zinc/36/88/26/570368826.db2.gz DCSMMPSNQWRKAJ-WZONZLPQSA-N 1 2 398.551 3.567 50 0 GHAALO C[C@@H]1CCCC[C@@]12NC(=O)N(C[N@@H+](C)Cc1ccccc1N1CCCCC1)C2=O ZINC000023653857 570368830 /nfs/dbraw/zinc/36/88/30/570368830.db2.gz DCSMMPSNQWRKAJ-WZONZLPQSA-N 1 2 398.551 3.567 50 0 GHAALO O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023731371 570370543 /nfs/dbraw/zinc/37/05/43/570370543.db2.gz FTAOPERKGBIBSN-UHFFFAOYSA-N 1 2 382.529 3.738 50 0 GHAALO CCOc1c(Cl)cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1OC ZINC000023735257 570370707 /nfs/dbraw/zinc/37/07/07/570370707.db2.gz IAETVFUGEOTRJQ-UHFFFAOYSA-N 1 2 394.924 3.767 50 0 GHAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023800579 570372745 /nfs/dbraw/zinc/37/27/45/570372745.db2.gz WPBGCAOVTRIWKE-UHFFFAOYSA-N 1 2 396.922 3.597 50 0 GHAALO COc1ccc(C[NH+]2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)cc1 ZINC000024336090 570382221 /nfs/dbraw/zinc/38/22/21/570382221.db2.gz ZRMSXFJFGLSFKT-UHFFFAOYSA-N 1 2 393.512 3.777 50 0 GHAALO Cc1ccc2c(c1)C(=O)C(=O)N2C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000024497344 570384768 /nfs/dbraw/zinc/38/47/68/570384768.db2.gz WCNJSJHYZHXAOW-OAHLLOKOSA-N 1 2 391.496 3.971 50 0 GHAALO Cc1ccc2c(c1)C(=O)C(=O)N2C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000024497344 570384769 /nfs/dbraw/zinc/38/47/69/570384769.db2.gz WCNJSJHYZHXAOW-OAHLLOKOSA-N 1 2 391.496 3.971 50 0 GHAALO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3cc(C)c(C)cc3OC(F)F)CCO2)n1 ZINC000122645675 570387696 /nfs/dbraw/zinc/38/76/96/570387696.db2.gz KHZJMCNVERAZEJ-SFHVURJKSA-N 1 2 379.451 3.619 50 0 GHAALO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3cc(C)c(C)cc3OC(F)F)CCO2)n1 ZINC000122645675 570387698 /nfs/dbraw/zinc/38/76/98/570387698.db2.gz KHZJMCNVERAZEJ-SFHVURJKSA-N 1 2 379.451 3.619 50 0 GHAALO C[C@@H](NC(=O)C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000026163680 570423140 /nfs/dbraw/zinc/42/31/40/570423140.db2.gz IQZMGIOLJVXYTE-HXOBKFHXSA-N 1 2 377.463 3.910 50 0 GHAALO C[C@@H](NC(=O)C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000026163680 570423142 /nfs/dbraw/zinc/42/31/42/570423142.db2.gz IQZMGIOLJVXYTE-HXOBKFHXSA-N 1 2 377.463 3.910 50 0 GHAALO COc1ccc(OC)c(C[NH+]2CCN(c3nnc(-c4ccccc4)s3)CC2)c1 ZINC000026703314 570428088 /nfs/dbraw/zinc/42/80/88/570428088.db2.gz ICSBFGIUOWIDGE-UHFFFAOYSA-N 1 2 396.516 3.545 50 0 GHAALO CC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)Cc1cc(Br)ccc1OC ZINC000027350668 570433379 /nfs/dbraw/zinc/43/33/79/570433379.db2.gz FMBRBJDHOIIPHH-CQSZACIVSA-N 1 2 396.285 3.603 50 0 GHAALO CC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000027350668 570433382 /nfs/dbraw/zinc/43/33/82/570433382.db2.gz FMBRBJDHOIIPHH-CQSZACIVSA-N 1 2 396.285 3.603 50 0 GHAALO CC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)Cc1cc(Br)ccc1OC ZINC000027350671 570433463 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Brc1cccc(-c2noc([C@H]3COCC[N@@H+]3C3CCCC3)n2)c1 ZINC000225507249 570581592 /nfs/dbraw/zinc/58/15/92/570581592.db2.gz LEZXZAZKGJWUEU-OAHLLOKOSA-N 1 2 378.270 3.815 50 0 GHAALO Brc1cccc(-c2noc([C@H]3COCC[N@H+]3C3CCCC3)n2)c1 ZINC000225507249 570581595 /nfs/dbraw/zinc/58/15/95/570581595.db2.gz LEZXZAZKGJWUEU-OAHLLOKOSA-N 1 2 378.270 3.815 50 0 GHAALO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+]1CCCN(C=O)CC1 ZINC000011817777 570584814 /nfs/dbraw/zinc/58/48/14/570584814.db2.gz JQKXSWQWQZXQIK-UHFFFAOYSA-N 1 2 375.472 3.981 50 0 GHAALO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+]1CCCN(C=O)CC1 ZINC000011817777 570584818 /nfs/dbraw/zinc/58/48/18/570584818.db2.gz JQKXSWQWQZXQIK-UHFFFAOYSA-N 1 2 375.472 3.981 50 0 GHAALO CC(=O)c1cccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)c1 ZINC000039393936 570590838 /nfs/dbraw/zinc/59/08/38/570590838.db2.gz KEXNUDOEBSESSL-QFIPXVFZSA-N 1 2 388.471 3.678 50 0 GHAALO CC(=O)c1cccc(C[N@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)c1 ZINC000039393936 570590839 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387.459 3.751 50 0 GHAALO O[C@@H](Cc1ccccc1)C1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000012589558 570686514 /nfs/dbraw/zinc/68/65/14/570686514.db2.gz UGNOVQRLFBFHRG-NRFANRHFSA-N 1 2 395.478 3.615 50 0 GHAALO CCOC(=O)C[N@H+](C)Cc1cn(-c2ccc(OC)cc2)nc1-c1cccc(F)c1 ZINC000055211156 570686914 /nfs/dbraw/zinc/68/69/14/570686914.db2.gz VRILHIVKJBEYOM-UHFFFAOYSA-N 1 2 397.450 3.682 50 0 GHAALO CCOC(=O)C[N@@H+](C)Cc1cn(-c2ccc(OC)cc2)nc1-c1cccc(F)c1 ZINC000055211156 570686918 /nfs/dbraw/zinc/68/69/18/570686918.db2.gz VRILHIVKJBEYOM-UHFFFAOYSA-N 1 2 397.450 3.682 50 0 GHAALO C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000013878802 570703232 /nfs/dbraw/zinc/70/32/32/570703232.db2.gz BVBLEVQRZNEENQ-CXAGYDPISA-N 1 2 379.526 3.636 50 0 GHAALO Cc1cc(N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000012795609 570716076 /nfs/dbraw/zinc/71/60/76/570716076.db2.gz WGRNCMBBOUNROR-UHFFFAOYSA-N 1 2 390.890 3.592 50 0 GHAALO CCCn1c(=O)c2cc(Br)ccc2nc1SCc1[nH+]ccn1C ZINC000058196958 570718923 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376.504 3.755 50 0 GHAALO Cc1ccc2[nH+]c(N3CCC(C(=O)NCCc4ccccc4C)CC3)[nH]c2c1 ZINC000033070872 570802483 /nfs/dbraw/zinc/80/24/83/570802483.db2.gz WDBALSLWXCTDBQ-UHFFFAOYSA-N 1 2 376.504 3.755 50 0 GHAALO CCc1ccc(CNC(=O)[C@H]2CCCN(c3[nH]c4ccc(C)cc4[nH+]3)C2)cc1 ZINC000033072236 570803436 /nfs/dbraw/zinc/80/34/36/570803436.db2.gz LKIIYLIWUXHEAI-IBGZPJMESA-N 1 2 376.504 3.967 50 0 GHAALO CCc1ccc(CNC(=O)[C@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)cc1 ZINC000033072236 570803440 /nfs/dbraw/zinc/80/34/40/570803440.db2.gz LKIIYLIWUXHEAI-IBGZPJMESA-N 1 2 376.504 3.967 50 0 GHAALO CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000032802696 570821681 /nfs/dbraw/zinc/82/16/81/570821681.db2.gz IAJWLDKPLWHSKY-UHFFFAOYSA-N 1 2 390.274 3.916 50 0 GHAALO O=C(Nc1cccc(C2SCCCS2)c1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000065476607 570823388 /nfs/dbraw/zinc/82/33/88/570823388.db2.gz VPCJHVYYAOMIAV-UHFFFAOYSA-N 1 2 383.502 3.783 50 0 GHAALO Cc1cc2nc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)c(=O)[nH]c2cc1C ZINC000033140466 570827266 /nfs/dbraw/zinc/82/72/66/570827266.db2.gz SHIDKFMQAYWCNG-UHFFFAOYSA-N 1 2 382.895 3.516 50 0 GHAALO Cc1cc(OCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)ccc1Cl ZINC000012601425 570886797 /nfs/dbraw/zinc/88/67/97/570886797.db2.gz DOZOGBJXGKMNSW-LJQANCHMSA-N 1 2 387.842 3.806 50 0 GHAALO Cc1cc(OCC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)ccc1Cl ZINC000012601422 570886850 /nfs/dbraw/zinc/88/68/50/570886850.db2.gz DOZOGBJXGKMNSW-IBGZPJMESA-N 1 2 387.842 3.806 50 0 GHAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000043731565 570888120 /nfs/dbraw/zinc/88/81/20/570888120.db2.gz DIWHDXMBFJPHEX-UHFFFAOYSA-N 1 2 393.466 3.553 50 0 GHAALO COc1ccc(CN(C)C(=O)N[C@@H](c2[nH+]ccn2C)C(C)C)c2cccnc12 ZINC000534638452 570912240 /nfs/dbraw/zinc/91/22/40/570912240.db2.gz AWJVHGGQGZTVDT-GOSISDBHSA-N 1 2 381.480 3.516 50 0 GHAALO COc1ccc2c(CC(=O)N(C)C3CCN(c4cccc[nH+]4)CC3)coc2c1 ZINC000083855702 570972411 /nfs/dbraw/zinc/97/24/11/570972411.db2.gz SVPMORZFUZGXRA-UHFFFAOYSA-N 1 2 379.460 3.506 50 0 GHAALO O=C(c1ccc(Br)o1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000033335253 570989018 /nfs/dbraw/zinc/98/90/18/570989018.db2.gz USZCXVACDLGCQB-DAXSKMNVSA-N 1 2 375.266 3.513 50 0 GHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)Oc1ccccc1 ZINC000056945384 861846262 /nfs/dbraw/zinc/84/62/62/861846262.db2.gz ISOWKHORMBGNLE-NRFANRHFSA-N 1 2 391.471 3.932 50 0 GHAALO Cc1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)co2)c(C)c1 ZINC000029976206 862177721 /nfs/dbraw/zinc/17/77/21/862177721.db2.gz IXOCFEROHFVVLE-INIZCTEOSA-N 1 2 399.516 3.799 50 0 GHAALO Cc1ccc(-c2nc(C[N@H+](C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)co2)c(C)c1 ZINC000029976206 862177733 /nfs/dbraw/zinc/17/77/33/862177733.db2.gz IXOCFEROHFVVLE-INIZCTEOSA-N 1 2 399.516 3.799 50 0 GHAALO Cc1cccc(OCC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)c1 ZINC000003649832 862541480 /nfs/dbraw/zinc/54/14/80/862541480.db2.gz DWNMDKNROGECOX-UHFFFAOYSA-N 1 2 391.471 3.706 50 0 GHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1F ZINC000008237819 856075878 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Cc1csc([C@@H]2CCCN(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)C2)n1 ZINC000174334350 865717118 /nfs/dbraw/zinc/71/71/18/865717118.db2.gz GSSOHRJUIRTTAD-MRXNPFEDSA-N 1 2 399.495 3.866 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1C1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000575549292 866190069 /nfs/dbraw/zinc/19/00/69/866190069.db2.gz KIBJEHKBAJWVPV-GOSISDBHSA-N 1 2 390.487 3.885 50 0 GHAALO COc1ccc(C2(C(=O)NCCn3c(C)c[nH+]c3-c3ccccc3)CC2)cc1 ZINC000575557330 866206964 /nfs/dbraw/zinc/20/69/64/866206964.db2.gz NOEIXQYPGARQMX-UHFFFAOYSA-N 1 2 375.472 3.715 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@H]1CCCN(C(=O)c2sc(C)nc2C)C1 ZINC000581806520 870029306 /nfs/dbraw/zinc/02/93/06/870029306.db2.gz RSAKBTMIUXRUMA-KRWDZBQOSA-N 1 2 381.505 3.804 50 0 GHAALO O=C(c1cc(Nc2ccccc2)ncn1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000585085563 897228641 /nfs/dbraw/zinc/22/86/41/897228641.db2.gz GADJWPBKCBYZQM-IBGZPJMESA-N 1 2 393.878 3.660 50 0 GHAALO CNC(=O)c1cccc(NC(=O)[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)c1C ZINC000952978835 904658120 /nfs/dbraw/zinc/65/81/20/904658120.db2.gz SCGBVEVYXOCIPH-HXUWFJFHSA-N 1 2 383.467 3.659 50 0 GHAALO COCc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(N3CCCCC3)nc2)o1 ZINC000131083625 923356424 /nfs/dbraw/zinc/35/64/24/923356424.db2.gz BHXOSPCXGNLPAO-LJQANCHMSA-N 1 2 398.507 3.587 50 0 GHAALO COCc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(N3CCCCC3)nc2)o1 ZINC000131083625 923356437 /nfs/dbraw/zinc/35/64/37/923356437.db2.gz BHXOSPCXGNLPAO-LJQANCHMSA-N 1 2 398.507 3.587 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)Cc4ccon4)csc3C2)nc1 ZINC000426495566 529641872 /nfs/dbraw/zinc/64/18/72/529641872.db2.gz DRKPDJURZIJUTA-UHFFFAOYSA-N 1 2 396.516 3.524 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)Cc4ccon4)csc3C2)nc1 ZINC000426495566 529641874 /nfs/dbraw/zinc/64/18/74/529641874.db2.gz DRKPDJURZIJUTA-UHFFFAOYSA-N 1 2 396.516 3.524 50 0 GHAALO COc1ccc(-c2nnc(SCC(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)o2)cc1 ZINC000017841459 210212070 /nfs/dbraw/zinc/21/20/70/210212070.db2.gz ATDVBTXZSOVJPP-UHFFFAOYSA-N 1 2 395.444 3.661 50 0 GHAALO Cc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3cc(C)ccc3n2)s1 ZINC000017080905 210203890 /nfs/dbraw/zinc/20/38/90/210203890.db2.gz OENGYLOYZFBLND-UHFFFAOYSA-N 1 2 395.528 3.642 50 0 GHAALO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@@H+](Cc1cc(F)ccc1F)CCO2 ZINC000014998421 210142370 /nfs/dbraw/zinc/14/23/70/210142370.db2.gz MROHCLYOPVVYBT-QFIPXVFZSA-N 1 2 382.410 3.836 50 0 GHAALO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1cc(F)ccc1F)CCO2 ZINC000014998421 210142375 /nfs/dbraw/zinc/14/23/75/210142375.db2.gz MROHCLYOPVVYBT-QFIPXVFZSA-N 1 2 382.410 3.836 50 0 GHAALO COc1ccc(N2C(=O)[C@@H]3C[C@H]2C[N@H+]3Cc2ccc3ncccc3c2)cc1Cl ZINC000014994721 210140134 /nfs/dbraw/zinc/14/01/34/210140134.db2.gz FFDAYRVJWFBVOW-PXNSSMCTSA-N 1 2 393.874 3.887 50 0 GHAALO COc1ccc(N2C(=O)[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc3ncccc3c2)cc1Cl ZINC000014994721 210140137 /nfs/dbraw/zinc/14/01/37/210140137.db2.gz FFDAYRVJWFBVOW-PXNSSMCTSA-N 1 2 393.874 3.887 50 0 GHAALO Cn1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)cn1 ZINC000014975220 210139425 /nfs/dbraw/zinc/13/94/25/210139425.db2.gz QKAISAKHKNYGPY-NRFANRHFSA-N 1 2 378.451 3.829 50 0 GHAALO Cn1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)cn1 ZINC000014975220 210139427 /nfs/dbraw/zinc/13/94/27/210139427.db2.gz QKAISAKHKNYGPY-NRFANRHFSA-N 1 2 378.451 3.829 50 0 GHAALO Cc1cc(C)n(CC[N@@H+](C)Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)n1 ZINC000014979144 210138583 /nfs/dbraw/zinc/13/85/83/210138583.db2.gz ZEUSETSQIRTZRC-UHFFFAOYSA-N 1 2 393.413 3.625 50 0 GHAALO Cc1cc(C)n(CC[N@H+](C)Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)n1 ZINC000014979144 210138587 /nfs/dbraw/zinc/13/85/87/210138587.db2.gz ZEUSETSQIRTZRC-UHFFFAOYSA-N 1 2 393.413 3.625 50 0 GHAALO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000014022950 210100185 /nfs/dbraw/zinc/10/01/85/210100185.db2.gz OEZACOYLERZJDA-UHFFFAOYSA-N 1 2 380.473 3.883 50 0 GHAALO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)Cc1ccc(C(C)C)cc1)[nH]c2=O ZINC000012818067 210015152 /nfs/dbraw/zinc/01/51/52/210015152.db2.gz GAJMDSWFTJIELL-UHFFFAOYSA-N 1 2 379.460 3.877 50 0 GHAALO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)Cc1ccc(C(C)C)cc1)[nH]c2=O ZINC000012818067 210015158 /nfs/dbraw/zinc/01/51/58/210015158.db2.gz GAJMDSWFTJIELL-UHFFFAOYSA-N 1 2 379.460 3.877 50 0 GHAALO C[C@@H](NC(=O)COc1cccc2c1OC(C)(C)C2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008013795 209760027 /nfs/dbraw/zinc/76/00/27/209760027.db2.gz PPGVTRYVYAJZJQ-MRXNPFEDSA-N 1 2 391.471 3.842 50 0 GHAALO O=C(NCCCn1cc[nH+]c1)c1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000010313191 209329046 /nfs/dbraw/zinc/32/90/46/209329046.db2.gz OLXDCZHTHMXKRG-UHFFFAOYSA-N 1 2 382.851 3.609 50 0 GHAALO C[C@H]1C[N@H+](CC(=O)NC2CCC(C(F)(F)F)CC2)C[C@@H](c2ccccc2)O1 ZINC000229668544 209188233 /nfs/dbraw/zinc/18/82/33/209188233.db2.gz UBVITWSMCADBEF-KUQKPQIMSA-N 1 2 384.442 3.686 50 0 GHAALO C[C@H]1C[N@@H+](CC(=O)NC2CCC(C(F)(F)F)CC2)C[C@@H](c2ccccc2)O1 ZINC000229668544 209188235 /nfs/dbraw/zinc/18/82/35/209188235.db2.gz UBVITWSMCADBEF-KUQKPQIMSA-N 1 2 384.442 3.686 50 0 GHAALO Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000225246944 209187740 /nfs/dbraw/zinc/18/77/40/209187740.db2.gz BXBFBOXCDAQKED-WNGDZKDKSA-N 1 2 386.561 3.911 50 0 GHAALO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000225246944 209187736 /nfs/dbraw/zinc/18/77/36/209187736.db2.gz BXBFBOXCDAQKED-WNGDZKDKSA-N 1 2 386.561 3.911 50 0 GHAALO Fc1ccccc1C[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000023259280 211791469 /nfs/dbraw/zinc/79/14/69/211791469.db2.gz CDGQZFUNHXPODO-UHFFFAOYSA-N 1 2 386.858 3.847 50 0 GHAALO COc1[nH+]ccc(N(C)C)c1NC(=O)/C=C\c1c(C)nn(CC(C)C)c1Cl ZINC000097127625 211359394 /nfs/dbraw/zinc/35/93/94/211359394.db2.gz RJEFMYREOZPLGL-FPLPWBNLSA-N 1 2 391.903 3.622 50 0 GHAALO CC[C@H](C)N(Cc1ccncc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000096133003 211304799 /nfs/dbraw/zinc/30/47/99/211304799.db2.gz PFNVZQDEXLAQLP-SFHVURJKSA-N 1 2 382.508 3.746 50 0 GHAALO CCSc1ccc(Cl)cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cn1 ZINC000095976289 211290443 /nfs/dbraw/zinc/29/04/43/211290443.db2.gz BJZXQSKPANGKON-UHFFFAOYSA-N 1 2 391.924 3.932 50 0 GHAALO COc1ccc([NH2+][C@@H]2CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)c(OC)c1 ZINC000095943609 211283748 /nfs/dbraw/zinc/28/37/48/211283748.db2.gz PZVKXRSGPPQELZ-HUUCEWRRSA-N 1 2 380.444 3.723 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cccc(NC(=O)C2CCCC2)c1)C1CC1 ZINC000095529840 211276031 /nfs/dbraw/zinc/27/60/31/211276031.db2.gz FKCGKASRAOEAEH-SFHVURJKSA-N 1 2 381.480 3.822 50 0 GHAALO O=C(CCc1cccs1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095504694 211255617 /nfs/dbraw/zinc/25/56/17/211255617.db2.gz MECDUWOJZVUANZ-GOSISDBHSA-N 1 2 380.517 3.727 50 0 GHAALO O=C(Nc1ccccc1F)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095504040 211254434 /nfs/dbraw/zinc/25/44/34/211254434.db2.gz CPRXXJBUGIQCLP-KRWDZBQOSA-N 1 2 379.439 3.877 50 0 GHAALO O=C(NCc1csc(Cc2ccccc2)n1)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000095373719 211229788 /nfs/dbraw/zinc/22/97/88/211229788.db2.gz HRUQUGSOYYMIFN-OAQYLSRUSA-N 1 2 392.528 3.582 50 0 GHAALO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1cc(-c2ccccc2F)n[nH]1 ZINC000091690378 211202983 /nfs/dbraw/zinc/20/29/83/211202983.db2.gz WZNCPAQFVKKWOA-HXUWFJFHSA-N 1 2 375.407 3.584 50 0 GHAALO Cc1ccc(F)cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091657425 211201343 /nfs/dbraw/zinc/20/13/43/211201343.db2.gz HHZDBFHHHJLBGV-GOSISDBHSA-N 1 2 378.451 3.794 50 0 GHAALO CC(=O)N[C@@H]1C[N@H+](Cc2cnc(CC3CCCC3)[nH]2)C[C@H]1c1ccc(C)cc1 ZINC000077455480 211135073 /nfs/dbraw/zinc/13/50/73/211135073.db2.gz SLUZUYBQWXSYTE-FCHUYYIVSA-N 1 2 380.536 3.555 50 0 GHAALO CC(=O)N[C@@H]1C[N@@H+](Cc2cnc(CC3CCCC3)[nH]2)C[C@H]1c1ccc(C)cc1 ZINC000077455480 211135075 /nfs/dbraw/zinc/13/50/75/211135075.db2.gz SLUZUYBQWXSYTE-FCHUYYIVSA-N 1 2 380.536 3.555 50 0 GHAALO CCSc1ncc(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccc(Cl)nc2)cn1 ZINC000072421677 211115878 /nfs/dbraw/zinc/11/58/78/211115878.db2.gz FYZLMBSVVQPXDI-QGZVFWFLSA-N 1 2 386.912 3.508 50 0 GHAALO C[C@@H](c1nc(-c2ccncc2)no1)n1cc[nH+]c1-c1cccc(-n2cccn2)c1 ZINC000071750860 211056359 /nfs/dbraw/zinc/05/63/59/211056359.db2.gz DCXYJDVXCWWIII-HNNXBMFYSA-N 1 2 383.415 3.790 50 0 GHAALO CCc1cnc(NCc2ccc[nH+]c2N2CCN(c3ccccc3C)CC2)nc1 ZINC000067754693 211019477 /nfs/dbraw/zinc/01/94/77/211019477.db2.gz CFFLKVCVLNZRSG-UHFFFAOYSA-N 1 2 388.519 3.681 50 0 GHAALO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000067674997 211016189 /nfs/dbraw/zinc/01/61/89/211016189.db2.gz OSMXPFDYCDTVNO-QGZVFWFLSA-N 1 2 391.920 3.709 50 0 GHAALO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000067674997 211016191 /nfs/dbraw/zinc/01/61/91/211016191.db2.gz OSMXPFDYCDTVNO-QGZVFWFLSA-N 1 2 391.920 3.709 50 0 GHAALO Cc1cnc(C)c(-c2cc(O)c3c(c2)C[N@@H+](Cc2ccc(O)cc2)CCO3)n1 ZINC000067514518 211011181 /nfs/dbraw/zinc/01/11/81/211011181.db2.gz HSFZJWPDDPDPOD-UHFFFAOYSA-N 1 2 377.444 3.566 50 0 GHAALO Cc1cnc(C)c(-c2cc(O)c3c(c2)C[N@H+](Cc2ccc(O)cc2)CCO3)n1 ZINC000067514518 211011185 /nfs/dbraw/zinc/01/11/85/211011185.db2.gz HSFZJWPDDPDPOD-UHFFFAOYSA-N 1 2 377.444 3.566 50 0 GHAALO Cc1ccc(-c2cc3c(N4CCN(c5cccc[nH+]5)CC4)nccn3n2)c(C)c1 ZINC000067285149 211007018 /nfs/dbraw/zinc/00/70/18/211007018.db2.gz PFNSZVLJLWLEPI-UHFFFAOYSA-N 1 2 384.487 3.735 50 0 GHAALO Cc1nonc1[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)Nc2c(C)noc2C)cc1 ZINC000065384594 210990384 /nfs/dbraw/zinc/99/03/84/210990384.db2.gz QRZQDAQKIZPJRA-KRWDZBQOSA-N 1 2 381.436 3.572 50 0 GHAALO Cc1nonc1[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)Nc2c(C)noc2C)cc1 ZINC000065384594 210990386 /nfs/dbraw/zinc/99/03/86/210990386.db2.gz QRZQDAQKIZPJRA-KRWDZBQOSA-N 1 2 381.436 3.572 50 0 GHAALO O=C1NC2(CCCCC2)C(=O)N1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000057395352 210896519 /nfs/dbraw/zinc/89/65/19/210896519.db2.gz CUCHBYRQRBVDBI-UHFFFAOYSA-N 1 2 398.532 3.688 50 0 GHAALO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2noc(-c3ccc(F)cc3)n2)CC1 ZINC000021724223 210391549 /nfs/dbraw/zinc/39/15/49/210391549.db2.gz HZABXQNHHVOMBX-UHFFFAOYSA-N 1 2 398.413 3.866 50 0 GHAALO COc1ccc(C[N@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C2CC2)cc1 ZINC000021582881 210385193 /nfs/dbraw/zinc/38/51/93/210385193.db2.gz ZHGHXUHLYMMFRX-UHFFFAOYSA-N 1 2 379.909 3.787 50 0 GHAALO COc1ccc(C[N@@H+](CCS(=O)(=O)c2ccc(Cl)cc2)C2CC2)cc1 ZINC000021582881 210385197 /nfs/dbraw/zinc/38/51/97/210385197.db2.gz ZHGHXUHLYMMFRX-UHFFFAOYSA-N 1 2 379.909 3.787 50 0 GHAALO C[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)/C=C/c2cccs2)CC1 ZINC000020576240 210347594 /nfs/dbraw/zinc/34/75/94/210347594.db2.gz VVXNJCMMNUVKLH-CMDGGOBGSA-N 1 2 395.484 3.534 50 0 GHAALO O=S(=O)(c1ccccc1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019781600 210296085 /nfs/dbraw/zinc/29/60/85/210296085.db2.gz BPRDZUCBLIONCH-UHFFFAOYSA-N 1 2 390.508 3.763 50 0 GHAALO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000058019340 136154150 /nfs/dbraw/zinc/15/41/50/136154150.db2.gz RLKARZWTUBDQBN-CQSZACIVSA-N 1 2 384.867 3.979 50 0 GHAALO Clc1ccc([C@H]2C[N@@H+](C3CCN(c4ncccn4)CC3)CCO2)cc1Cl ZINC000071775576 136166748 /nfs/dbraw/zinc/16/67/48/136166748.db2.gz UBEAOFFGGXNHMA-GOSISDBHSA-N 1 2 393.318 3.826 50 0 GHAALO Clc1ccc([C@H]2C[N@H+](C3CCN(c4ncccn4)CC3)CCO2)cc1Cl ZINC000071775576 136166749 /nfs/dbraw/zinc/16/67/49/136166749.db2.gz UBEAOFFGGXNHMA-GOSISDBHSA-N 1 2 393.318 3.826 50 0 GHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)Cc3ccccn3)csc2C1 ZINC000426504168 534357562 /nfs/dbraw/zinc/35/75/62/534357562.db2.gz YRNIVNCBPJQLFK-UHFFFAOYSA-N 1 2 396.516 3.578 50 0 GHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)Cc3ccccn3)csc2C1 ZINC000426504168 534357568 /nfs/dbraw/zinc/35/75/68/534357568.db2.gz YRNIVNCBPJQLFK-UHFFFAOYSA-N 1 2 396.516 3.578 50 0 GHAALO CCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3cccs3)C2)nc[nH+]1 ZINC000065245100 535520100 /nfs/dbraw/zinc/52/01/00/535520100.db2.gz ZFGZKIUTWPIBDL-JKSUJKDBSA-N 1 2 387.553 3.844 50 0 GHAALO CCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3cccs3)C2)[nH+]cn1 ZINC000065245100 535520104 /nfs/dbraw/zinc/52/01/04/535520104.db2.gz ZFGZKIUTWPIBDL-JKSUJKDBSA-N 1 2 387.553 3.844 50 0 GHAALO CCNc1cc(N2CCC[C@H](CCC(=O)Nc3cc(C)ccc3OC)C2)nc[nH+]1 ZINC000065244980 535522805 /nfs/dbraw/zinc/52/28/05/535522805.db2.gz OSRPXYQEMIDSAO-QGZVFWFLSA-N 1 2 397.523 3.861 50 0 GHAALO CCNc1cc(N2CCC[C@H](CCC(=O)Nc3cc(C)ccc3OC)C2)[nH+]cn1 ZINC000065244980 535522810 /nfs/dbraw/zinc/52/28/10/535522810.db2.gz OSRPXYQEMIDSAO-QGZVFWFLSA-N 1 2 397.523 3.861 50 0 GHAALO O=C1CCCN1C[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccccc1 ZINC000047795040 570215506 /nfs/dbraw/zinc/21/55/06/570215506.db2.gz ZWAVRDGCRVDWJB-LJQANCHMSA-N 1 2 378.501 3.658 50 0 GHAALO COc1ccc2nc(C)c(C(=O)NCc3ccccc3Cn3cc[nH+]c3)cc2c1 ZINC000048253325 570227326 /nfs/dbraw/zinc/22/73/26/570227326.db2.gz PNQXSFYIONTMPT-UHFFFAOYSA-N 1 2 386.455 3.727 50 0 GHAALO COc1cc(CCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc(OC)c1 ZINC000048302772 570235174 /nfs/dbraw/zinc/23/51/74/570235174.db2.gz ZYNPDQHJQLGLFN-UHFFFAOYSA-N 1 2 395.459 3.551 50 0 GHAALO Cc1ccc2c(c1)C[N@@H+](CC(=O)N1CCCC[C@H]1c1ccccn1)C[C@@H](C)O2 ZINC000215827831 570292040 /nfs/dbraw/zinc/29/20/40/570292040.db2.gz BVKZZJCLPLUMTC-NQIIRXRSSA-N 1 2 379.504 3.727 50 0 GHAALO Cc1ccc2c(c1)C[N@H+](CC(=O)N1CCCC[C@H]1c1ccccn1)C[C@@H](C)O2 ZINC000215827831 570292042 /nfs/dbraw/zinc/29/20/42/570292042.db2.gz BVKZZJCLPLUMTC-NQIIRXRSSA-N 1 2 379.504 3.727 50 0 GHAALO Cc1nn2c(nc(C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)cc2=O)s1 ZINC000043273083 570298478 /nfs/dbraw/zinc/29/84/78/570298478.db2.gz ZSWLISIARJXAHF-LJQANCHMSA-N 1 2 394.525 3.669 50 0 GHAALO Cc1nn2c(nc(C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)cc2=O)s1 ZINC000043273083 570298481 /nfs/dbraw/zinc/29/84/81/570298481.db2.gz ZSWLISIARJXAHF-LJQANCHMSA-N 1 2 394.525 3.669 50 0 GHAALO COc1cccc(OC2C[NH+](Cc3cccc(OCc4ccccn4)c3)C2)c1 ZINC000216486938 570302561 /nfs/dbraw/zinc/30/25/61/570302561.db2.gz FXZIBQOCQJKZNC-UHFFFAOYSA-N 1 2 376.456 3.932 50 0 GHAALO CC(C)Oc1ccc(C[NH+]2CCN(CC(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000022751953 570326205 /nfs/dbraw/zinc/32/62/05/570326205.db2.gz UXBYLIJWERAPBG-UHFFFAOYSA-N 1 2 399.579 3.598 50 0 GHAALO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000022912418 570333523 /nfs/dbraw/zinc/33/35/23/570333523.db2.gz USZKCSGVQFTJPT-UHFFFAOYSA-N 1 2 384.332 3.811 50 0 GHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc(Cl)sc1Cl ZINC000023762650 570372010 /nfs/dbraw/zinc/37/20/10/570372010.db2.gz VAWGCMOIKQJYKZ-UHFFFAOYSA-N 1 2 385.316 3.817 50 0 GHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000023763802 570372468 /nfs/dbraw/zinc/37/24/68/570372468.db2.gz ALLKNLMLWVDNNG-KBXCAEBGSA-N 1 2 377.444 3.592 50 0 GHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000023763802 570372471 /nfs/dbraw/zinc/37/24/71/570372471.db2.gz ALLKNLMLWVDNNG-KBXCAEBGSA-N 1 2 377.444 3.592 50 0 GHAALO C[N@@H+](Cc1ccsc1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000023883221 570374892 /nfs/dbraw/zinc/37/48/92/570374892.db2.gz NTQKLBDECUJFCY-UHFFFAOYSA-N 1 2 391.496 3.633 50 0 GHAALO C[N@H+](Cc1ccsc1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000023883221 570374894 /nfs/dbraw/zinc/37/48/94/570374894.db2.gz NTQKLBDECUJFCY-UHFFFAOYSA-N 1 2 391.496 3.633 50 0 GHAALO Fc1cc2[nH+]cn(Cc3cc4c(cc3Br)OCCO4)c2cc1F ZINC000024427629 570383512 /nfs/dbraw/zinc/38/35/12/570383512.db2.gz HFPOPIUYOJCFQJ-UHFFFAOYSA-N 1 2 381.176 3.897 50 0 GHAALO O=C(Cc1c(Cl)cccc1Cl)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000024498152 570384752 /nfs/dbraw/zinc/38/47/52/570384752.db2.gz DLCUNDZQOUTRNE-MRXNPFEDSA-N 1 2 393.314 3.553 50 0 GHAALO O=C(Cc1c(Cl)cccc1Cl)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000024498152 570384754 /nfs/dbraw/zinc/38/47/54/570384754.db2.gz DLCUNDZQOUTRNE-MRXNPFEDSA-N 1 2 393.314 3.553 50 0 GHAALO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2cc(C)on2)cc1 ZINC000024761643 570392060 /nfs/dbraw/zinc/39/20/60/570392060.db2.gz JNSAFHMKFSMMDD-UHFFFAOYSA-N 1 2 383.452 3.703 50 0 GHAALO COc1ccc(NC(=O)C2CCN(c3ccc(-n4cccc4)c[nH+]3)CC2)cc1 ZINC000033106164 570402222 /nfs/dbraw/zinc/40/22/22/570402222.db2.gz UEEJUXWYRYLGHF-UHFFFAOYSA-N 1 2 376.460 3.736 50 0 GHAALO C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025329491 570410932 /nfs/dbraw/zinc/41/09/32/570410932.db2.gz PYLMYDSYZKUBKV-HNAYVOBHSA-N 1 2 392.421 3.897 50 0 GHAALO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C[C@H](C)O1 ZINC000026361642 570425101 /nfs/dbraw/zinc/42/51/01/570425101.db2.gz RFSRHNFXFWVGHZ-IYBDPMFKSA-N 1 2 392.499 3.516 50 0 GHAALO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C[C@H](C)O1 ZINC000026361642 570425103 /nfs/dbraw/zinc/42/51/03/570425103.db2.gz RFSRHNFXFWVGHZ-IYBDPMFKSA-N 1 2 392.499 3.516 50 0 GHAALO CCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000027582834 570436738 /nfs/dbraw/zinc/43/67/38/570436738.db2.gz CWKURMMZDNXFNW-QFIPXVFZSA-N 1 2 396.531 3.977 50 0 GHAALO COc1ccc(C[N@H+](Cc2ccc(SC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027651509 570437993 /nfs/dbraw/zinc/43/79/93/570437993.db2.gz SAYOMSOGCIRLSF-SFHVURJKSA-N 1 2 391.558 3.606 50 0 GHAALO COc1ccc(C[N@@H+](Cc2ccc(SC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027651509 570437996 /nfs/dbraw/zinc/43/79/96/570437996.db2.gz SAYOMSOGCIRLSF-SFHVURJKSA-N 1 2 391.558 3.606 50 0 GHAALO C[N@H+](CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)Cc1ccco1 ZINC000006604921 570496053 /nfs/dbraw/zinc/49/60/53/570496053.db2.gz GFNXYUFBHFHFJV-UHFFFAOYSA-N 1 2 398.484 3.778 50 0 GHAALO C[N@@H+](CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)Cc1ccco1 ZINC000006604921 570496055 /nfs/dbraw/zinc/49/60/55/570496055.db2.gz GFNXYUFBHFHFJV-UHFFFAOYSA-N 1 2 398.484 3.778 50 0 GHAALO CC[C@@H](C)CN1C(=O)[C@H](CC(C)C)[NH2+]C12CCN(C(=O)c1ccc(C)cc1)CC2 ZINC000036032658 570515835 /nfs/dbraw/zinc/51/58/35/570515835.db2.gz JKWQNYULLPTECA-NQIIRXRSSA-N 1 2 399.579 3.820 50 0 GHAALO Cc1ccc(-c2noc(CN(CC[NH+]3CCOCC3)c3ccccc3)n2)cc1F ZINC000072308425 570527179 /nfs/dbraw/zinc/52/71/79/570527179.db2.gz GRTVHAFOFFXSTO-UHFFFAOYSA-N 1 2 396.466 3.523 50 0 GHAALO COc1ccc([C@@H](CNC(=O)c2n[nH]c3ccccc32)[NH+]2CCCCC2)cc1 ZINC000005267844 570534338 /nfs/dbraw/zinc/53/43/38/570534338.db2.gz SUMKPCLXCGHQHZ-HXUWFJFHSA-N 1 2 378.476 3.529 50 0 GHAALO Cc1cccc(N2CC[NH+](CCc3n[nH]c(=S)n3-c3ccccc3)CC2)c1C ZINC000016671117 570536272 /nfs/dbraw/zinc/53/62/72/570536272.db2.gz ZBOZOYDEYVZBDN-UHFFFAOYSA-N 1 2 393.560 3.911 50 0 GHAALO COc1ccccc1N1CC[NH+](CC(=O)n2c(C)c(C)c3ccccc32)CC1 ZINC000035851968 570558449 /nfs/dbraw/zinc/55/84/49/570558449.db2.gz XDMKEDVDQFLULA-UHFFFAOYSA-N 1 2 377.488 3.729 50 0 GHAALO Cc1[nH]c(CC(=O)N[C@@H](C)CCc2ccccc2)[nH+]c1Cc1ccc(O)cc1 ZINC000036235026 570577682 /nfs/dbraw/zinc/57/76/82/570577682.db2.gz DEOIDSQCNUFQNY-INIZCTEOSA-N 1 2 377.488 3.695 50 0 GHAALO Cc1[nH+]c(CC(=O)N[C@@H](C)CCc2ccccc2)[nH]c1Cc1ccc(O)cc1 ZINC000036235026 570577685 /nfs/dbraw/zinc/57/76/85/570577685.db2.gz DEOIDSQCNUFQNY-INIZCTEOSA-N 1 2 377.488 3.695 50 0 GHAALO Cn1c(C[N@H+](C)CC2=CC[C@H]3C[C@@H]2C3(C)C)nnc1SCc1ccncc1 ZINC000011913659 570592299 /nfs/dbraw/zinc/59/22/99/570592299.db2.gz FZBODJKGHDGUIZ-ROUUACIJSA-N 1 2 383.565 3.927 50 0 GHAALO Cn1c(C[N@@H+](C)CC2=CC[C@H]3C[C@@H]2C3(C)C)nnc1SCc1ccncc1 ZINC000011913659 570592302 /nfs/dbraw/zinc/59/23/02/570592302.db2.gz FZBODJKGHDGUIZ-ROUUACIJSA-N 1 2 383.565 3.927 50 0 GHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)NC2CCCC2)c(C)c1 ZINC000004341751 570676418 /nfs/dbraw/zinc/67/64/18/570676418.db2.gz ZVOGDNLQBIZZDA-UHFFFAOYSA-N 1 2 381.505 3.583 50 0 GHAALO COc1cccc(CN[C@@H](C)c2cn3ccsc3n2)c1OCCn1cc[nH+]c1 ZINC000055414938 570695456 /nfs/dbraw/zinc/69/54/56/570695456.db2.gz BAQNFUWKPLBUAG-HNNXBMFYSA-N 1 2 397.504 3.531 50 0 GHAALO Cc1cccc(NC(=O)CC(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)c1C ZINC000055414285 570695514 /nfs/dbraw/zinc/69/55/14/570695514.db2.gz FLAAVBZNFNKCBV-UHFFFAOYSA-N 1 2 390.487 3.535 50 0 GHAALO O=c1c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(O)[nH]c(=S)n1C1CCCCC1 ZINC000017180926 570701402 /nfs/dbraw/zinc/70/14/02/570701402.db2.gz UOFAJPGULOPCKI-SFHVURJKSA-N 1 2 396.516 3.833 50 0 biogenic GHAALO O=c1[nH]c(=S)n(C2CCCCC2)c(O)c1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000017180926 570701404 /nfs/dbraw/zinc/70/14/04/570701404.db2.gz UOFAJPGULOPCKI-SFHVURJKSA-N 1 2 396.516 3.833 50 0 biogenic GHAALO Cc1cc(C[N@@H+]2CCCN(C(=O)Cc3ccc(Cl)cc3Cl)CC2)no1 ZINC000058202662 570719497 /nfs/dbraw/zinc/71/94/97/570719497.db2.gz LHZOCRKROKFCDD-UHFFFAOYSA-N 1 2 382.291 3.567 50 0 GHAALO Cc1cc(C[N@H+]2CCCN(C(=O)Cc3ccc(Cl)cc3Cl)CC2)no1 ZINC000058202662 570719500 /nfs/dbraw/zinc/71/95/00/570719500.db2.gz LHZOCRKROKFCDD-UHFFFAOYSA-N 1 2 382.291 3.567 50 0 GHAALO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)c1ccccn1)C2 ZINC000065260092 570762232 /nfs/dbraw/zinc/76/22/32/570762232.db2.gz MEXIXAXBXWQVGG-JOCHJYFZSA-N 1 2 377.492 3.600 50 0 GHAALO O=C(c1ccsc1)N1CC[C@]2(C1)[NH2+]Cc1ccccc1NC2=NC1CCCC1 ZINC000065265895 570768774 /nfs/dbraw/zinc/76/87/74/570768774.db2.gz HYPHVDUNJNHIED-JOCHJYFZSA-N 1 2 394.544 3.698 50 0 GHAALO CCCCOc1c(OC)cccc1[C@@H]1CC(=O)NCc2[nH+]c3ccc(C)cn3c21 ZINC000065459654 570769728 /nfs/dbraw/zinc/76/97/28/570769728.db2.gz HCFHQDDUWJIIMH-KRWDZBQOSA-N 1 2 393.487 3.982 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)Nc3cccc(OC)c3)CC2)nc[nH+]1 ZINC000065274188 570776398 /nfs/dbraw/zinc/77/63/98/570776398.db2.gz LEUREOOGCGGLHD-UHFFFAOYSA-N 1 2 397.523 3.942 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)Nc3cccc(OC)c3)CC2)[nH+]cn1 ZINC000065274188 570776403 /nfs/dbraw/zinc/77/64/03/570776403.db2.gz LEUREOOGCGGLHD-UHFFFAOYSA-N 1 2 397.523 3.942 50 0 GHAALO COc1cccc([C@H](NC(=O)COc2ccc(Cl)c(C)c2)c2[nH+]ccn2C)c1 ZINC000018237603 570811991 /nfs/dbraw/zinc/81/19/91/570811991.db2.gz DPWWOBLOXKZJQH-FQEVSTJZSA-N 1 2 399.878 3.675 50 0 GHAALO N=c1c2c(ncn1CCCn1cc[nH+]c1)Oc1cc(O)ccc1[C@@H]2c1ccccc1 ZINC000101120142 570815433 /nfs/dbraw/zinc/81/54/33/570815433.db2.gz OGZUHSJZRWFLIX-FQEVSTJZSA-N 1 2 399.454 3.641 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCCOc1ccccc1)c1ccc(Cl)cc1 ZINC000032802271 570820679 /nfs/dbraw/zinc/82/06/79/570820679.db2.gz YVJQMAFAKVPGEF-SFHVURJKSA-N 1 2 384.867 3.541 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000012507379 570823165 /nfs/dbraw/zinc/82/31/65/570823165.db2.gz DTJKQHIBIQYASV-FQEVSTJZSA-N 1 2 388.496 3.992 50 0 GHAALO C[C@@H](CNC(=O)c1ccc(Br)s1)[N@@H+]1CCc2sccc2C1 ZINC000032817167 570830269 /nfs/dbraw/zinc/83/02/69/570830269.db2.gz LNMWAYXBLUVLSP-JTQLQIEISA-N 1 2 385.352 3.749 50 0 GHAALO C[C@@H](CNC(=O)c1ccc(Br)s1)[N@H+]1CCc2sccc2C1 ZINC000032817167 570830274 /nfs/dbraw/zinc/83/02/74/570830274.db2.gz LNMWAYXBLUVLSP-JTQLQIEISA-N 1 2 385.352 3.749 50 0 GHAALO C[C@@H]1C[N@@H+](Cc2ccc(Cn3c(=O)c4ccccc4[nH]c3=S)cc2)C[C@H](C)O1 ZINC000032831168 570845108 /nfs/dbraw/zinc/84/51/08/570845108.db2.gz CZELOAXRGWFFPW-IYBDPMFKSA-N 1 2 395.528 3.717 50 0 GHAALO C[C@@H]1C[N@H+](Cc2ccc(Cn3c(=O)c4ccccc4[nH]c3=S)cc2)C[C@H](C)O1 ZINC000032831168 570845110 /nfs/dbraw/zinc/84/51/10/570845110.db2.gz CZELOAXRGWFFPW-IYBDPMFKSA-N 1 2 395.528 3.717 50 0 GHAALO Cc1ccc(CNC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000003326257 570856975 /nfs/dbraw/zinc/85/69/75/570856975.db2.gz POBWPKQIRKVSGY-UHFFFAOYSA-N 1 2 389.484 3.532 50 0 GHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1cccc(F)c1 ZINC000003550274 570874247 /nfs/dbraw/zinc/87/42/47/570874247.db2.gz WHLUVZLABJLUDO-UHFFFAOYSA-N 1 2 379.420 3.685 50 0 GHAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=S)Nc2ccccc2)CC1 ZINC000022457014 570896615 /nfs/dbraw/zinc/89/66/15/570896615.db2.gz KRADHUQCGOYLCW-QFBILLFUSA-N 1 2 388.606 3.802 50 0 GHAALO CCn1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)c2ccccc21 ZINC000032902341 570898594 /nfs/dbraw/zinc/89/85/94/570898594.db2.gz OHOZRXULYQTDRN-LJQANCHMSA-N 1 2 383.517 3.526 50 0 GHAALO COc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000023157277 570920221 /nfs/dbraw/zinc/92/02/21/570920221.db2.gz WWATUSHQVSRAIO-IIYDPXPESA-N 1 2 386.521 3.881 50 0 GHAALO COc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000023157277 570920226 /nfs/dbraw/zinc/92/02/26/570920226.db2.gz WWATUSHQVSRAIO-IIYDPXPESA-N 1 2 386.521 3.881 50 0 GHAALO CCOc1ccc(OCCCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000012628050 570928220 /nfs/dbraw/zinc/92/82/20/570928220.db2.gz MQFGUCYMUZMEIV-JOCHJYFZSA-N 1 2 393.487 3.884 50 0 GHAALO CCOC(=O)c1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000033280225 570954214 /nfs/dbraw/zinc/95/42/14/570954214.db2.gz MAQJOAQTEHKNRE-UHFFFAOYSA-N 1 2 382.464 3.570 50 0 GHAALO COc1ccc(/C=C/C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1OC ZINC000033288763 570956043 /nfs/dbraw/zinc/95/60/43/570956043.db2.gz SDGONGUYCYLNTL-BWPOMFIKSA-N 1 2 392.499 3.575 50 0 GHAALO Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539433 570963392 /nfs/dbraw/zinc/96/33/92/570963392.db2.gz FLNIXVDVIZIFGR-UHFFFAOYSA-N 1 2 381.904 3.576 50 0 GHAALO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@@H](C)C(=O)Nc4nccs4)CC3)c2c1 ZINC000053073813 570984163 /nfs/dbraw/zinc/98/41/63/570984163.db2.gz NAJXHTSPBFJKOX-ZDUSSCGKSA-N 1 2 382.489 3.749 50 0 GHAALO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H](C)C(=O)Nc4nccs4)CC3)c2c1 ZINC000053073813 570984164 /nfs/dbraw/zinc/98/41/64/570984164.db2.gz NAJXHTSPBFJKOX-ZDUSSCGKSA-N 1 2 382.489 3.749 50 0 GHAALO O=C(c1ccc(COc2ccccc2Cl)o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000028227284 861300565 /nfs/dbraw/zinc/30/05/65/861300565.db2.gz OVAAIUYQQJQZEJ-UHFFFAOYSA-N 1 2 397.862 3.869 50 0 GHAALO O=C(COc1ccc(Br)cc1)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000031779313 862688051 /nfs/dbraw/zinc/68/80/51/862688051.db2.gz JQPBGOVNROWKGI-UHFFFAOYSA-N 1 2 386.249 3.711 50 0 GHAALO CC(C)[C@H](C)[NH+](CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1 ZINC000008851701 856386129 /nfs/dbraw/zinc/38/61/29/856386129.db2.gz FFOSFGGTIKWUDH-HNNXBMFYSA-N 1 2 389.446 3.889 50 0 GHAALO COc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1OC(F)F ZINC000040104547 856662429 /nfs/dbraw/zinc/66/24/29/856662429.db2.gz VLJXNMYZBBSUKW-UHFFFAOYSA-N 1 2 397.447 3.708 50 0 GHAALO CC1CC[NH+](Cc2nc(=O)c3c(-c4ccc5c(c4)OCO5)csc3[nH]2)CC1 ZINC000040404551 856785814 /nfs/dbraw/zinc/78/58/14/856785814.db2.gz JYWJHXXFCOLJKT-UHFFFAOYSA-N 1 2 383.473 3.612 50 0 GHAALO O=C1c2cccc3cccc(c23)N1CN1CC[NH+](Cc2ccccc2F)CC1 ZINC000032506937 862947958 /nfs/dbraw/zinc/94/79/58/862947958.db2.gz UNXPQKFVIBXDRI-UHFFFAOYSA-N 1 2 375.447 3.714 50 0 GHAALO COc1cc([C@H](c2c(C)[nH]c3ccccc32)[NH+]2CCOCC2)cc(OC)c1OC ZINC000021670511 860891881 /nfs/dbraw/zinc/89/18/81/860891881.db2.gz ZXFMWBLSMWEDIZ-JOCHJYFZSA-N 1 2 396.487 3.924 50 0 GHAALO Cc1c[nH+]c(-c2ccncc2)n1C[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000581807709 870038654 /nfs/dbraw/zinc/03/86/54/870038654.db2.gz MLJSKNZTEZVONH-LJQANCHMSA-N 1 2 392.478 3.874 50 0 GHAALO Cc1c[nH+]c(-c2ccncc2)n1C1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000581808702 870040404 /nfs/dbraw/zinc/04/04/04/870040404.db2.gz HKVXQKIDRIAGOO-UHFFFAOYSA-N 1 2 378.451 3.799 50 0 GHAALO COc1ccc(/C=C\C(=O)Nc2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC000047371988 901936836 /nfs/dbraw/zinc/93/68/36/901936836.db2.gz JYJCNVFQJKBWPY-YFHOEESVSA-N 1 2 390.443 3.572 50 0 GHAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@@H+]2CCC[C@@H](C(=O)c3ccccn3)C2)no1 ZINC000952974774 904652816 /nfs/dbraw/zinc/65/28/16/904652816.db2.gz VOJDYZIBFFSEIZ-CQSZACIVSA-N 1 2 399.882 3.527 50 0 GHAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@H+]2CCC[C@@H](C(=O)c3ccccn3)C2)no1 ZINC000952974774 904652823 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3.780 50 0 GHAALO Cc1ccc(C[N@H+]2CCN(Cc3cnc(-c4ccccc4)s3)C[C@@H]2CCO)o1 ZINC000019227681 210234352 /nfs/dbraw/zinc/23/43/52/210234352.db2.gz HGAMCRACCIHHDM-IBGZPJMESA-N 1 2 397.544 3.780 50 0 GHAALO Cc1ccc(CN2CC[N@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2CCO)o1 ZINC000019227681 210234336 /nfs/dbraw/zinc/23/43/36/210234336.db2.gz HGAMCRACCIHHDM-IBGZPJMESA-N 1 2 397.544 3.780 50 0 GHAALO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000014708317 210125746 /nfs/dbraw/zinc/12/57/46/210125746.db2.gz YVJUOKKYWLHPJW-CQSZACIVSA-N 1 2 382.489 3.754 50 0 GHAALO Cc1ccsc1C[N@H+](C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000014093120 210101453 /nfs/dbraw/zinc/10/14/53/210101453.db2.gz YXFVPZNIQINGSA-UHFFFAOYSA-N 1 2 388.352 3.725 50 0 GHAALO Cc1ccsc1C[N@@H+](C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000014093120 210101458 /nfs/dbraw/zinc/10/14/58/210101458.db2.gz YXFVPZNIQINGSA-UHFFFAOYSA-N 1 2 388.352 3.725 50 0 GHAALO CCc1nnc(NC(=O)c2ccccc2OCc2cn3cccc(C)c3[nH+]2)s1 ZINC000011659746 209876943 /nfs/dbraw/zinc/87/69/43/209876943.db2.gz CIUATVXCLXFSBV-UHFFFAOYSA-N 1 2 393.472 3.888 50 0 GHAALO COc1ccc(C(=O)CSc2[nH+]cnc3c2cnn3Cc2ccccc2)cc1 ZINC000002445888 209364128 /nfs/dbraw/zinc/36/41/28/209364128.db2.gz YQAHPTMDKXVIDH-UHFFFAOYSA-N 1 2 390.468 3.858 50 0 GHAALO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000229526073 209187069 /nfs/dbraw/zinc/18/70/69/209187069.db2.gz HQVQURZMNGQANV-TZMCWYRMSA-N 1 2 398.334 3.559 50 0 GHAALO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000229526073 209187075 /nfs/dbraw/zinc/18/70/75/209187075.db2.gz HQVQURZMNGQANV-TZMCWYRMSA-N 1 2 398.334 3.559 50 0 GHAALO CN(CCSc1ccccc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000299774892 212035268 /nfs/dbraw/zinc/03/52/68/212035268.db2.gz IVUKTABNKRFJOQ-UHFFFAOYSA-N 1 2 385.533 3.775 50 0 GHAALO O=C(NCCCCCc1[nH]c2ccccc2[nH+]1)c1cnc2ccc(F)cc2c1O ZINC000096118484 211302010 /nfs/dbraw/zinc/30/20/10/211302010.db2.gz GNNNLFXWTUREPQ-UHFFFAOYSA-N 1 2 392.434 3.686 50 0 GHAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cn1)c1ccc(OC2CCCCC2)cc1 ZINC000095976295 211291085 /nfs/dbraw/zinc/29/10/85/211291085.db2.gz XMXBJSHWLNDALD-UHFFFAOYSA-N 1 2 395.503 3.878 50 0 GHAALO O=C(c1cc2ccccc2[nH]1)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000095530591 211275927 /nfs/dbraw/zinc/27/59/27/211275927.db2.gz QSXAFEUOWIGQRL-UHFFFAOYSA-N 1 2 391.500 3.889 50 0 GHAALO O=C(c1cccn1C1CC1)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095499823 211252597 /nfs/dbraw/zinc/25/25/97/211252597.db2.gz COSLHOXSSXPGQB-HNNXBMFYSA-N 1 2 381.505 3.544 50 0 GHAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3c(s2)CCCCC3)C1 ZINC000095499701 211252612 /nfs/dbraw/zinc/25/26/12/211252612.db2.gz YIWMNVAFLJLKMW-QGZVFWFLSA-N 1 2 387.549 3.880 50 0 GHAALO CC(C)(C)n1ccc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)c1 ZINC000095500599 211252279 /nfs/dbraw/zinc/25/22/79/211252279.db2.gz DJVIVPJDUQBAEE-UHFFFAOYSA-N 1 2 391.519 3.903 50 0 GHAALO O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095362010 211223132 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CCN(CC)C(=O)C[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067677279 211014504 /nfs/dbraw/zinc/01/45/04/211014504.db2.gz INPMHEJHPLEBEJ-UHFFFAOYSA-N 1 2 388.895 3.775 50 0 GHAALO CCN(CC)C(=O)c1ccc(CNc2cc(C)[nH+]c(-c3ccncc3)n2)cc1 ZINC000057826695 210903137 /nfs/dbraw/zinc/90/31/37/210903137.db2.gz ATVNZOZEHAAYPI-UHFFFAOYSA-N 1 2 375.476 3.941 50 0 GHAALO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1CN1CCOCC1 ZINC000021719831 210391758 /nfs/dbraw/zinc/39/17/58/210391758.db2.gz PBUWKUZFMVVNAG-OAQYLSRUSA-N 1 2 399.535 3.976 50 0 GHAALO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1CN1CCOCC1 ZINC000021719831 210391761 /nfs/dbraw/zinc/39/17/61/210391761.db2.gz PBUWKUZFMVVNAG-OAQYLSRUSA-N 1 2 399.535 3.976 50 0 GHAALO OCC[C@@H]1CN(C/C(Cl)=C/c2ccccc2)CC[N@@H+]1Cc1ccsc1 ZINC000020912657 210367732 /nfs/dbraw/zinc/36/77/32/210367732.db2.gz AVEHVLSNTHDLLK-NURJGKTBSA-N 1 2 376.953 3.897 50 0 GHAALO OCC[C@@H]1CN(C/C(Cl)=C/c2ccccc2)CC[N@H+]1Cc1ccsc1 ZINC000020912657 210367739 /nfs/dbraw/zinc/36/77/39/210367739.db2.gz AVEHVLSNTHDLLK-NURJGKTBSA-N 1 2 376.953 3.897 50 0 GHAALO CC(C)Oc1ccc(-c2nc3c4c5c(sc4ncn3n2)C[N@H+](C)CC5)cc1 ZINC000020566624 210348716 /nfs/dbraw/zinc/34/87/16/210348716.db2.gz RKLNCZUZVMJQAR-UHFFFAOYSA-N 1 2 379.489 3.781 50 0 GHAALO CC(C)Oc1ccc(-c2nc3c4c5c(sc4ncn3n2)C[N@@H+](C)CC5)cc1 ZINC000020566624 210348720 /nfs/dbraw/zinc/34/87/20/210348720.db2.gz RKLNCZUZVMJQAR-UHFFFAOYSA-N 1 2 379.489 3.781 50 0 GHAALO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000019842655 210303043 /nfs/dbraw/zinc/30/30/43/210303043.db2.gz PVUVDOCZLQPNAM-UHFFFAOYSA-N 1 2 380.513 3.655 50 0 GHAALO CCCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CC=C(c4ccccc4)CC3)C2=O)cc1 ZINC000019809734 210297271 /nfs/dbraw/zinc/29/72/71/210297271.db2.gz XPUXIBJDXHYMHG-JOCHJYFZSA-N 1 2 390.483 3.897 50 0 GHAALO CCCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC=C(c4ccccc4)CC3)C2=O)cc1 ZINC000019809734 210297279 /nfs/dbraw/zinc/29/72/79/210297279.db2.gz XPUXIBJDXHYMHG-JOCHJYFZSA-N 1 2 390.483 3.897 50 0 GHAALO O=C(NCC[NH+]1CCOCC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000019760093 210294990 /nfs/dbraw/zinc/29/49/90/210294990.db2.gz AOIGFQNKFBLILV-UHFFFAOYSA-N 1 2 395.890 3.617 50 0 GHAALO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000058167731 136154634 /nfs/dbraw/zinc/15/46/34/136154634.db2.gz PXMAUVYQLMHODD-ZDUSSCGKSA-N 1 2 394.302 3.848 50 0 GHAALO Cc1[nH+]cnc(N2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)c1C ZINC000091270657 136176307 /nfs/dbraw/zinc/17/63/07/136176307.db2.gz FJRJIPHXURDVKD-UHFFFAOYSA-N 1 2 378.520 3.545 50 0 GHAALO CN([C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)S(=O)(=O)c1cccs1 ZINC000012550629 517940279 /nfs/dbraw/zinc/94/02/79/517940279.db2.gz LJMDTUNDYSLQLM-HNNXBMFYSA-N 1 2 381.910 3.545 50 0 GHAALO Cc1nc([C@H](C)NC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cs1 ZINC000426541222 534594957 /nfs/dbraw/zinc/59/49/57/534594957.db2.gz IEMGIRGHQFTISR-ZDUSSCGKSA-N 1 2 378.929 3.693 50 0 GHAALO COc1cccc(NC(=O)[C@@H]([NH2+]Cc2ccc(OC)nc2)c2ccccc2)c1 ZINC000010185631 526197720 /nfs/dbraw/zinc/19/77/20/526197720.db2.gz VRAZVPOMGKEDSH-NRFANRHFSA-N 1 2 377.444 3.568 50 0 GHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)OCc1ccccc1 ZINC000000904723 527074102 /nfs/dbraw/zinc/07/41/02/527074102.db2.gz JGVWRLGNPWFFRQ-UHFFFAOYSA-N 1 2 376.441 3.651 50 0 GHAALO CCNc1cc(N2CCC[C@H](CCC(=O)NCc3ccccc3C)C2)nc[nH+]1 ZINC000065244988 535520629 /nfs/dbraw/zinc/52/06/29/535520629.db2.gz PYJZPOHGZARDLB-GOSISDBHSA-N 1 2 381.524 3.530 50 0 GHAALO CCNc1cc(N2CCC[C@H](CCC(=O)NCc3ccccc3C)C2)[nH+]cn1 ZINC000065244988 535520634 /nfs/dbraw/zinc/52/06/34/535520634.db2.gz PYJZPOHGZARDLB-GOSISDBHSA-N 1 2 381.524 3.530 50 0 GHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)NCc3ccc(C)cc3)C2)nc[nH+]1 ZINC000065244991 535521101 /nfs/dbraw/zinc/52/11/01/535521101.db2.gz HKIMUTWBDHMMRO-IBGZPJMESA-N 1 2 381.524 3.530 50 0 GHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)NCc3ccc(C)cc3)C2)[nH+]cn1 ZINC000065244991 535521108 /nfs/dbraw/zinc/52/11/08/535521108.db2.gz HKIMUTWBDHMMRO-IBGZPJMESA-N 1 2 381.524 3.530 50 0 GHAALO CCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3)C2)nc[nH+]1 ZINC000065244960 535521666 /nfs/dbraw/zinc/52/16/66/535521666.db2.gz RNKRGKSPNDBZOX-MRXNPFEDSA-N 1 2 383.496 3.552 50 0 GHAALO CCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3)C2)[nH+]cn1 ZINC000065244960 535521673 /nfs/dbraw/zinc/52/16/73/535521673.db2.gz RNKRGKSPNDBZOX-MRXNPFEDSA-N 1 2 383.496 3.552 50 0 GHAALO CCc1[nH+]c(C2CC2)nc(N2CCN(C(C)=O)CC2)c1Cc1cccc(Cl)c1 ZINC000096316845 536127603 /nfs/dbraw/zinc/12/76/03/536127603.db2.gz MGYXIPJLYYKONY-UHFFFAOYSA-N 1 2 398.938 3.829 50 0 GHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cncn1-c1ccc(F)cc1 ZINC000048249392 570223376 /nfs/dbraw/zinc/22/33/76/570223376.db2.gz LGASUPGIMBWULB-UHFFFAOYSA-N 1 2 393.466 3.717 50 0 GHAALO Cc1nc(COc2ccccc2C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)no1 ZINC000048333290 570237763 /nfs/dbraw/zinc/23/77/63/570237763.db2.gz PCGHTMKKDCEYPT-UHFFFAOYSA-N 1 2 393.378 3.534 50 0 GHAALO C[C@@H](CNC(=O)Nc1cccc(-c2cccc(Cl)c2)c1)[NH+]1CCN(C)CC1 ZINC000097553329 570246510 /nfs/dbraw/zinc/24/65/10/570246510.db2.gz AHHYRWVPFAGNLH-INIZCTEOSA-N 1 2 386.927 3.764 50 0 GHAALO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000052537763 570271133 /nfs/dbraw/zinc/27/11/33/570271133.db2.gz WRCFKAYITWJXHT-UHFFFAOYSA-N 1 2 388.309 3.518 50 0 GHAALO O=C(c1cc2c(s1)CCCCC2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020902258 570288054 /nfs/dbraw/zinc/28/80/54/570288054.db2.gz ZOZKGLDKJWTWOB-UHFFFAOYSA-N 1 2 398.528 3.704 50 0 GHAALO CC(C)NC(=O)CN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022025358 570302619 /nfs/dbraw/zinc/30/26/19/570302619.db2.gz ZYZBCTLTZUWIPQ-JOCHJYFZSA-N 1 2 385.939 3.572 50 0 GHAALO CC(C)NC(=O)C[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022025358 570302621 /nfs/dbraw/zinc/30/26/21/570302621.db2.gz ZYZBCTLTZUWIPQ-JOCHJYFZSA-N 1 2 385.939 3.572 50 0 GHAALO CCOc1ccccc1CN1CC[N@H+](C/C=C/c2ccc(F)cc2)C[C@@H]1CCO ZINC000022852863 570331381 /nfs/dbraw/zinc/33/13/81/570331381.db2.gz BDOSGKZJBGALKS-NFOSPISASA-N 1 2 398.522 3.806 50 0 GHAALO CCOc1ccccc1CN1CC[N@@H+](C/C=C/c2ccc(F)cc2)C[C@@H]1CCO ZINC000022852863 570331383 /nfs/dbraw/zinc/33/13/83/570331383.db2.gz BDOSGKZJBGALKS-NFOSPISASA-N 1 2 398.522 3.806 50 0 GHAALO Cc1ccc2nc(C[NH+]3CCN([C@@H](C)c4ccccc4Cl)CC3)cc(=O)n2c1 ZINC000022934126 570337557 /nfs/dbraw/zinc/33/75/57/570337557.db2.gz XONCSNPZGBUYNL-KRWDZBQOSA-N 1 2 396.922 3.535 50 0 GHAALO COc1ccc2[nH]cc(C(=O)C[N@@H+]3CCN(c4cccc(OC)c4)[C@@H](C)C3)c2c1 ZINC000035369254 570344177 /nfs/dbraw/zinc/34/41/77/570344177.db2.gz FFOGHMHNHUPCKW-INIZCTEOSA-N 1 2 393.487 3.579 50 0 GHAALO COc1ccc2[nH]cc(C(=O)C[N@H+]3CCN(c4cccc(OC)c4)[C@@H](C)C3)c2c1 ZINC000035369254 570344179 /nfs/dbraw/zinc/34/41/79/570344179.db2.gz FFOGHMHNHUPCKW-INIZCTEOSA-N 1 2 393.487 3.579 50 0 GHAALO O=C(CCCc1c[nH]c2ccccc12)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000023228589 570350755 /nfs/dbraw/zinc/35/07/55/570350755.db2.gz KOMZDJPXLUZWLH-UHFFFAOYSA-N 1 2 391.515 3.714 50 0 GHAALO Cc1ccccc1CNC(=O)C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1 ZINC000035404399 570351413 /nfs/dbraw/zinc/35/14/13/570351413.db2.gz XXHUMPJDTMRQIG-UHFFFAOYSA-N 1 2 386.499 3.586 50 0 GHAALO Cc1ccccc1CNC(=O)C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1 ZINC000035404399 570351415 /nfs/dbraw/zinc/35/14/15/570351415.db2.gz XXHUMPJDTMRQIG-UHFFFAOYSA-N 1 2 386.499 3.586 50 0 GHAALO CCc1ccc(Nc2nc(C(=O)NCCc3c[nH+]c[nH]3)nc3ccccc32)cc1 ZINC000035430040 570358076 /nfs/dbraw/zinc/35/80/76/570358076.db2.gz JXXHKOMVTLDFOK-UHFFFAOYSA-N 1 2 386.459 3.631 50 0 GHAALO CCc1ccc(Nc2nc(C(=O)NCCc3c[nH]c[nH+]3)nc3ccccc32)cc1 ZINC000035430040 570358079 /nfs/dbraw/zinc/35/80/79/570358079.db2.gz JXXHKOMVTLDFOK-UHFFFAOYSA-N 1 2 386.459 3.631 50 0 GHAALO O=C1C(=O)N(C[N@@H+]2CCC[C@H]2c2cccs2)c2ccc(Br)cc21 ZINC000023805414 570372796 /nfs/dbraw/zinc/37/27/96/570372796.db2.gz QBAFGGAWUOUUJD-AWEZNQCLSA-N 1 2 391.290 3.835 50 0 GHAALO O=C1C(=O)N(C[N@H+]2CCC[C@H]2c2cccs2)c2ccc(Br)cc21 ZINC000023805414 570372799 /nfs/dbraw/zinc/37/27/99/570372799.db2.gz QBAFGGAWUOUUJD-AWEZNQCLSA-N 1 2 391.290 3.835 50 0 GHAALO Cc1[nH]c2ccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)cc2c1C ZINC000023846918 570373809 /nfs/dbraw/zinc/37/38/09/570373809.db2.gz KIAHNGZBMZFOHA-UHFFFAOYSA-N 1 2 389.499 3.678 50 0 GHAALO C[N@@H+]1CCc2nc(NC(=O)COc3ccc4oc5c(c4c3)CCCC5)sc2C1 ZINC000023881012 570374317 /nfs/dbraw/zinc/37/43/17/570374317.db2.gz XQLGRXLMTHIXDP-UHFFFAOYSA-N 1 2 397.500 3.774 50 0 GHAALO C[N@H+]1CCc2nc(NC(=O)COc3ccc4oc5c(c4c3)CCCC5)sc2C1 ZINC000023881012 570374319 /nfs/dbraw/zinc/37/43/19/570374319.db2.gz XQLGRXLMTHIXDP-UHFFFAOYSA-N 1 2 397.500 3.774 50 0 GHAALO COc1cccc([C@@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)c2[nH+]ccn2C)c1 ZINC000024021195 570377065 /nfs/dbraw/zinc/37/70/65/570377065.db2.gz CQBTXPVIKWFRBE-CQSZACIVSA-N 1 2 379.247 3.583 50 0 GHAALO CSCc1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccc(C)cc2)cc1 ZINC000024258102 570381561 /nfs/dbraw/zinc/38/15/61/570381561.db2.gz ABNUTUPWMPUUMM-OAQYLSRUSA-N 1 2 384.545 3.661 50 0 GHAALO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000024311777 570381698 /nfs/dbraw/zinc/38/16/98/570381698.db2.gz BSUBGFVNGVYTEX-JTQLQIEISA-N 1 2 377.372 3.775 50 0 GHAALO O=C(NCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000035592926 570399271 /nfs/dbraw/zinc/39/92/71/570399271.db2.gz IIXYAHVCGFWDSR-SFHVURJKSA-N 1 2 378.394 3.509 50 0 GHAALO O=C(NCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000035592926 570399273 /nfs/dbraw/zinc/39/92/73/570399273.db2.gz IIXYAHVCGFWDSR-SFHVURJKSA-N 1 2 378.394 3.509 50 0 GHAALO Cc1ccc(C)c(SCC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000025337120 570411633 /nfs/dbraw/zinc/41/16/33/570411633.db2.gz VDGZDNGPJSFVNO-CVDCTZTESA-N 1 2 398.572 3.974 50 0 GHAALO O=C(NCCc1c[nH]c2cc(F)ccc12)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000050765414 570450598 /nfs/dbraw/zinc/45/05/98/570450598.db2.gz LECLPPHJVXHJEE-NRFANRHFSA-N 1 2 397.519 3.756 50 0 GHAALO COc1ccc([C@@H](NC(=O)c2csc(-c3ccco3)n2)c2[nH+]ccn2C)cc1 ZINC000029647990 570477242 /nfs/dbraw/zinc/47/72/42/570477242.db2.gz OBYOMRWFUCFQEU-QGZVFWFLSA-N 1 2 394.456 3.665 50 0 GHAALO CC[NH+]1CCN(C(=O)c2cnc(-c3ccccc3)nc2Oc2ccccc2)CC1 ZINC000035981750 570500305 /nfs/dbraw/zinc/50/03/05/570500305.db2.gz WIGGIWDLJWLSJH-UHFFFAOYSA-N 1 2 388.471 3.714 50 0 GHAALO O[C@H](COCc1ccco1)C[N@H+](Cc1ccco1)Cc1ccc(F)cc1F ZINC000036104037 570540765 /nfs/dbraw/zinc/54/07/65/570540765.db2.gz NKZLJABIBNBBHN-KRWDZBQOSA-N 1 2 377.387 3.731 50 0 GHAALO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccco1)Cc1ccc(F)cc1F ZINC000036104037 570540768 /nfs/dbraw/zinc/54/07/68/570540768.db2.gz NKZLJABIBNBBHN-KRWDZBQOSA-N 1 2 377.387 3.731 50 0 GHAALO COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)[NH+]2CCCC2)c1 ZINC000022852429 570556622 /nfs/dbraw/zinc/55/66/22/570556622.db2.gz FXYYBMNELDKXPR-MRXNPFEDSA-N 1 2 396.472 3.950 50 0 GHAALO O=C(N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)C1(c2ccccc2)CCCC1 ZINC000035623002 570556726 /nfs/dbraw/zinc/55/67/26/570556726.db2.gz RRVQAKZGRSQSFH-UHFFFAOYSA-N 1 2 392.499 3.572 50 0 GHAALO CN(CCn1cc[nH+]c1)c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1 ZINC000039442283 570591439 /nfs/dbraw/zinc/59/14/39/570591439.db2.gz LODKSWAKRISAGZ-UHFFFAOYSA-N 1 2 380.839 3.785 50 0 GHAALO C[C@@H](NC(=O)c1ccc(COc2ccc(Br)cc2)o1)c1[nH]cc[nH+]1 ZINC000225701476 570605598 /nfs/dbraw/zinc/60/55/98/570605598.db2.gz XYUSDUMIQKQQPT-LLVKDONJSA-N 1 2 390.237 3.835 50 0 GHAALO CCCCn1c(C[N@H+](C)[C@H]2CCCc3ccccc32)cnc1S(=O)(=O)CC ZINC000012434011 570661066 /nfs/dbraw/zinc/66/10/66/570661066.db2.gz NRSFMHHZTGHRLE-FQEVSTJZSA-N 1 2 389.565 3.986 50 0 GHAALO CCCCn1c(C[N@@H+](C)[C@H]2CCCc3ccccc32)cnc1S(=O)(=O)CC ZINC000012434011 570661072 /nfs/dbraw/zinc/66/10/72/570661072.db2.gz NRSFMHHZTGHRLE-FQEVSTJZSA-N 1 2 389.565 3.986 50 0 GHAALO CCCCn1c(C[N@H+](C)[C@@H]2CCCc3ccccc32)cnc1S(=O)(=O)CC ZINC000012434010 570661283 /nfs/dbraw/zinc/66/12/83/570661283.db2.gz NRSFMHHZTGHRLE-HXUWFJFHSA-N 1 2 389.565 3.986 50 0 GHAALO CCCCn1c(C[N@@H+](C)[C@@H]2CCCc3ccccc32)cnc1S(=O)(=O)CC ZINC000012434010 570661284 /nfs/dbraw/zinc/66/12/84/570661284.db2.gz NRSFMHHZTGHRLE-HXUWFJFHSA-N 1 2 389.565 3.986 50 0 GHAALO CC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(=O)oc1/C=C/[NH+](C)C ZINC000050914221 570667559 /nfs/dbraw/zinc/66/75/59/570667559.db2.gz UQFKNUUKMYSGSY-BQYQJAHWSA-N 1 2 394.349 3.646 50 0 GHAALO CCN(C(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1)C1=CCCC1 ZINC000006879134 570670066 /nfs/dbraw/zinc/67/00/66/570670066.db2.gz KPHXMNCLUFKLPU-UHFFFAOYSA-N 1 2 379.489 3.824 50 0 GHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1)NC1CCCC1 ZINC000004341698 570676385 /nfs/dbraw/zinc/67/63/85/570676385.db2.gz NHLIZPXJEBUZOK-UHFFFAOYSA-N 1 2 387.896 3.620 50 0 GHAALO COC(=O)c1ccc(CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)o1 ZINC000004341594 570676531 /nfs/dbraw/zinc/67/65/31/570676531.db2.gz ZBCPMEIUCYCMRB-UHFFFAOYSA-N 1 2 384.392 3.627 50 0 GHAALO Cc1oc(-c2ccc(C)cc2)nc1C[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000012589083 570686076 /nfs/dbraw/zinc/68/60/76/570686076.db2.gz JKCUEUVJUMFKBZ-UHFFFAOYSA-N 1 2 379.460 3.900 50 0 GHAALO Cc1oc(-c2ccc(C)cc2)nc1C[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000012589083 570686077 /nfs/dbraw/zinc/68/60/77/570686077.db2.gz JKCUEUVJUMFKBZ-UHFFFAOYSA-N 1 2 379.460 3.900 50 0 GHAALO Cc1ccc(C(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2C)cc1 ZINC000000929965 570726417 /nfs/dbraw/zinc/72/64/17/570726417.db2.gz ALVZRBPYJULIHJ-UHFFFAOYSA-N 1 2 391.500 3.760 50 0 GHAALO Cc1ccn2cc(CNC(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)[nH+]c2c1 ZINC000058428545 570733033 /nfs/dbraw/zinc/73/30/33/570733033.db2.gz KJWVWSSFXLAGCY-UHFFFAOYSA-N 1 2 388.349 3.953 50 0 GHAALO Cc1noc([C@H]2CCCC[N@@H+]2Cc2cccc(C(=O)Nc3cccnc3)c2)n1 ZINC000065460468 570769760 /nfs/dbraw/zinc/76/97/60/570769760.db2.gz ZFYZGWDKAKWZLQ-LJQANCHMSA-N 1 2 377.448 3.753 50 0 GHAALO Cc1noc([C@H]2CCCC[N@H+]2Cc2cccc(C(=O)Nc3cccnc3)c2)n1 ZINC000065460468 570769762 /nfs/dbraw/zinc/76/97/62/570769762.db2.gz ZFYZGWDKAKWZLQ-LJQANCHMSA-N 1 2 377.448 3.753 50 0 GHAALO O=C(c1ccccc1)N(CCC[NH+]1CCOCC1)c1nc2ccc(F)cc2s1 ZINC000022997680 570775252 /nfs/dbraw/zinc/77/52/52/570775252.db2.gz BKDLTGUNQAGXKW-UHFFFAOYSA-N 1 2 399.491 3.805 50 0 GHAALO COc1ccccc1NC(=O)C1CC[NH+](Cc2csc([C@H](C)OC)n2)CC1 ZINC000177652081 570788978 /nfs/dbraw/zinc/78/89/78/570788978.db2.gz APYWEXXZACJUPH-AWEZNQCLSA-N 1 2 389.521 3.710 50 0 GHAALO FC(F)(F)c1cccc(C[NH+]2CCN(Cc3nnc(-c4ccco4)o3)CC2)c1 ZINC000032751543 570791662 /nfs/dbraw/zinc/79/16/62/570791662.db2.gz KYRXVXSOOPTIMX-UHFFFAOYSA-N 1 2 392.381 3.666 50 0 GHAALO O=C(NCc1ccc(F)cc1)C1CCN(c2[nH]c3ccc(Cl)cc3[nH+]2)CC1 ZINC000033071151 570803234 /nfs/dbraw/zinc/80/32/34/570803234.db2.gz XFGUTRXMHGBJFQ-UHFFFAOYSA-N 1 2 386.858 3.888 50 0 GHAALO CCOc1cccc([C@@H](C)NC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000063322960 570805293 /nfs/dbraw/zinc/80/52/93/570805293.db2.gz REONIVSWUZOZQU-QGZVFWFLSA-N 1 2 378.476 3.891 50 0 GHAALO C[C@@H](Cc1cccs1)NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000065390352 570811787 /nfs/dbraw/zinc/81/17/87/570811787.db2.gz YSTGQOBCPDXPPY-AWEZNQCLSA-N 1 2 381.457 3.621 50 0 GHAALO COc1ccc([C@H](NC(=O)c2ccc(-n3cccc3)cc2)c2[nH+]ccn2C)cc1 ZINC000012548356 570850343 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GHAALO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1nnnn1C1CC1 ZINC000252497340 570975712 /nfs/dbraw/zinc/97/57/12/570975712.db2.gz QEFGQMVLXBHVEE-ZDUSSCGKSA-N 1 2 396.882 3.765 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCn1ccc2ccccc21)c1ccc(F)cc1 ZINC000010656748 570983740 /nfs/dbraw/zinc/98/37/40/570983740.db2.gz YDUVGHJTCTXWNA-NRFANRHFSA-N 1 2 376.435 3.810 50 0 GHAALO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000170650587 570985403 /nfs/dbraw/zinc/98/54/03/570985403.db2.gz BXBFBOXCDAQKED-VFUKXHBFSA-N 1 2 386.561 3.911 50 0 GHAALO Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000170650587 570985406 /nfs/dbraw/zinc/98/54/06/570985406.db2.gz BXBFBOXCDAQKED-VFUKXHBFSA-N 1 2 386.561 3.911 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000581807865 837681562 /nfs/dbraw/zinc/68/15/62/837681562.db2.gz DKVFDPANTJRUFT-UHFFFAOYSA-N 1 2 395.528 3.959 50 0 GHAALO COCCn1nc([C@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2)c2c1CCOC2 ZINC000675011440 840875167 /nfs/dbraw/zinc/87/51/67/840875167.db2.gz PTAGODIFLGLUQG-HXUWFJFHSA-N 1 2 389.927 3.983 50 0 GHAALO COCCn1nc([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2)c2c1CCOC2 ZINC000675011440 840875174 /nfs/dbraw/zinc/87/51/74/840875174.db2.gz PTAGODIFLGLUQG-HXUWFJFHSA-N 1 2 389.927 3.983 50 0 GHAALO COc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC000036393393 842320100 /nfs/dbraw/zinc/32/01/00/842320100.db2.gz JYJCNVFQJKBWPY-JXMROGBWSA-N 1 2 390.443 3.572 50 0 GHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)C1CCCCC1 ZINC000056945518 861846581 /nfs/dbraw/zinc/84/65/81/861846581.db2.gz PLELKXNURJWMQL-NRFANRHFSA-N 1 2 399.510 3.979 50 0 GHAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000057296710 861948317 /nfs/dbraw/zinc/94/83/17/861948317.db2.gz FBYDLJRQSLMUHG-UHFFFAOYSA-N 1 2 392.547 3.828 50 0 GHAALO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@H+](C)Cc1ccc(Cl)s1 ZINC000008473859 856230651 /nfs/dbraw/zinc/23/06/51/856230651.db2.gz LZGARXWSVODOIW-SECBINFHSA-N 1 2 397.953 3.510 50 0 GHAALO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008473859 856230663 /nfs/dbraw/zinc/23/06/63/856230663.db2.gz LZGARXWSVODOIW-SECBINFHSA-N 1 2 397.953 3.510 50 0 GHAALO C[N@@H+]1CCN(C(=O)CCC(=O)c2ccc(Cl)s2)[C@H](c2ccccc2)C1 ZINC000040050490 856641223 /nfs/dbraw/zinc/64/12/23/856641223.db2.gz URDBSIDYZVMLAX-HNNXBMFYSA-N 1 2 376.909 3.880 50 0 GHAALO C[N@H+]1CCN(C(=O)CCC(=O)c2ccc(Cl)s2)[C@H](c2ccccc2)C1 ZINC000040050490 856641229 /nfs/dbraw/zinc/64/12/29/856641229.db2.gz URDBSIDYZVMLAX-HNNXBMFYSA-N 1 2 376.909 3.880 50 0 GHAALO O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000040097082 856660619 /nfs/dbraw/zinc/66/06/19/856660619.db2.gz RIIHIXQOTCVWKF-UHFFFAOYSA-N 1 2 385.411 3.996 50 0 GHAALO CCCc1c(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)[nH]c(C)c1C(=O)OC ZINC000040154020 856685068 /nfs/dbraw/zinc/68/50/68/856685068.db2.gz PZSXFIJMWXHWCL-UHFFFAOYSA-N 1 2 380.448 3.559 50 0 GHAALO Cc1ccc(NC(=O)C2CC[NH+](Cn3c4ccccc4n(C)c3=S)CC2)nc1 ZINC000040155501 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3.595 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000575549300 866190272 /nfs/dbraw/zinc/19/02/72/866190272.db2.gz KIBJEHKBAJWVPV-SFHVURJKSA-N 1 2 390.487 3.885 50 0 GHAALO CCN(Cc1ccc2c(c1)OCCO2)C(=O)/C=C\c1ccc(-n2cc[nH+]c2)cc1 ZINC000096852229 872609050 /nfs/dbraw/zinc/60/90/50/872609050.db2.gz RAFOTPAHCXIFGC-POHAHGRESA-N 1 2 389.455 3.705 50 0 GHAALO O=C(NCc1ccccc1CC(F)(F)F)NC1CCN(c2cccc[nH+]2)CC1 ZINC000623471626 877619714 /nfs/dbraw/zinc/61/97/14/877619714.db2.gz IGHLJWFNASZQJK-UHFFFAOYSA-N 1 2 392.425 3.655 50 0 GHAALO O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)[C@@H]1OCC[C@@H]1Cn1cc[nH+]c1 ZINC000621408539 884214490 /nfs/dbraw/zinc/21/44/90/884214490.db2.gz DIXHXWZEQALXMH-HMXCVIKNSA-N 1 2 395.890 3.847 50 0 GHAALO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCOCC2)o1 ZINC000032210376 884956644 /nfs/dbraw/zinc/95/66/44/884956644.db2.gz CHXLHXDXBPJACA-SMPOKDMHSA-N 1 2 380.488 3.565 50 0 GHAALO COc1ccc(C[N@@H+]2CCc3oc(C)c(C(=O)NCc4ccc(C)o4)c3C2)cc1 ZINC000105984397 905414126 /nfs/dbraw/zinc/41/41/26/905414126.db2.gz CSQCSMKBRXIKNZ-UHFFFAOYSA-N 1 2 394.471 3.986 50 0 GHAALO COc1ccc(C[N@H+]2CCc3oc(C)c(C(=O)NCc4ccc(C)o4)c3C2)cc1 ZINC000105984397 905414139 /nfs/dbraw/zinc/41/41/39/905414139.db2.gz CSQCSMKBRXIKNZ-UHFFFAOYSA-N 1 2 394.471 3.986 50 0 GHAALO Cc1cc(N2CCN(C(=O)/C=C\c3ccc([C@@H]4C[C@@H]4C)o3)CC2)nc(C(C)C)[nH+]1 ZINC000098001048 916068919 /nfs/dbraw/zinc/06/89/19/916068919.db2.gz HGIUHXVGGXTPDX-UFROXNHUSA-N 1 2 394.519 3.987 50 0 GHAALO O=C1CCCN1C[C@H]([NH2+][C@@H]1CCCn2ccnc21)c1cccc(C(F)(F)F)c1 ZINC000655690693 930486734 /nfs/dbraw/zinc/48/67/34/930486734.db2.gz IRBVMYPWNFSYFT-SJORKVTESA-N 1 2 392.425 3.690 50 0 GHAALO COc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)c(OC)c1OC ZINC000019552844 210262432 /nfs/dbraw/zinc/26/24/32/210262432.db2.gz HSKPNTSYCVDFQN-UHFFFAOYSA-N 1 2 390.911 3.684 50 0 GHAALO COc1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c(OC)c1OC ZINC000019552844 210262436 /nfs/dbraw/zinc/26/24/36/210262436.db2.gz HSKPNTSYCVDFQN-UHFFFAOYSA-N 1 2 390.911 3.684 50 0 GHAALO O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000018086727 210213562 /nfs/dbraw/zinc/21/35/62/210213562.db2.gz ABFYVCQMZUJENQ-UHFFFAOYSA-N 1 2 379.485 3.895 50 0 GHAALO COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048411 210213615 /nfs/dbraw/zinc/21/36/15/210213615.db2.gz OKXGCJONJIPNDB-OAHLLOKOSA-N 1 2 377.444 3.503 50 0 GHAALO COc1ccc(C[N@@H+]2CCc3nc(Nc4ccccc4OC)ncc3C2)cc1 ZINC000015778819 210169486 /nfs/dbraw/zinc/16/94/86/210169486.db2.gz OOGGOSXEHJGNFU-UHFFFAOYSA-N 1 2 376.460 3.796 50 0 GHAALO COc1ccc(C[N@H+]2CCc3nc(Nc4ccccc4OC)ncc3C2)cc1 ZINC000015778819 210169490 /nfs/dbraw/zinc/16/94/90/210169490.db2.gz OOGGOSXEHJGNFU-UHFFFAOYSA-N 1 2 376.460 3.796 50 0 GHAALO Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000015480008 210159350 /nfs/dbraw/zinc/15/93/50/210159350.db2.gz IJFHYVRUILYFPV-INIZCTEOSA-N 1 2 379.508 3.762 50 0 GHAALO Cc1nn(CC(C)C)c(C)c1CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000015480011 210158344 /nfs/dbraw/zinc/15/83/44/210158344.db2.gz IJFHYVRUILYFPV-MRXNPFEDSA-N 1 2 379.508 3.762 50 0 GHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)CCOc2ccccc2F)c1C ZINC000014252102 210114502 /nfs/dbraw/zinc/11/45/02/210114502.db2.gz SEIARXDTBLQIFG-HNNXBMFYSA-N 1 2 390.455 3.529 50 0 GHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)CCOc2ccccc2F)c1C ZINC000014252102 210114507 /nfs/dbraw/zinc/11/45/07/210114507.db2.gz SEIARXDTBLQIFG-HNNXBMFYSA-N 1 2 390.455 3.529 50 0 GHAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cn2nc3n(c2=S)CCCCC3)c1 ZINC000014197105 210109494 /nfs/dbraw/zinc/10/94/94/210109494.db2.gz LULCZWQTVCNMJH-KRWDZBQOSA-N 1 2 388.537 3.952 50 0 GHAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cn2nc3n(c2=S)CCCCC3)c1 ZINC000014197105 210109498 /nfs/dbraw/zinc/10/94/98/210109498.db2.gz LULCZWQTVCNMJH-KRWDZBQOSA-N 1 2 388.537 3.952 50 0 GHAALO O=C(CSc1c(Cl)cccc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000013096521 210051980 /nfs/dbraw/zinc/05/19/80/210051980.db2.gz RZQUQMKIQUSXBZ-UHFFFAOYSA-N 1 2 382.316 3.829 50 0 GHAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3coc(Br)c3)n2)C1 ZINC000012980344 210039517 /nfs/dbraw/zinc/03/95/17/210039517.db2.gz ABGGXJDJZUKVCD-JTQLQIEISA-N 1 2 384.299 3.983 50 0 GHAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3coc(Br)c3)n2)C1 ZINC000012980344 210039523 /nfs/dbraw/zinc/03/95/23/210039523.db2.gz ABGGXJDJZUKVCD-JTQLQIEISA-N 1 2 384.299 3.983 50 0 GHAALO COc1ccc(C[N@H+](C)[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1F ZINC000012923868 210030215 /nfs/dbraw/zinc/03/02/15/210030215.db2.gz UABHTEZXIDUIFU-FQEVSTJZSA-N 1 2 383.423 3.943 50 0 GHAALO COc1ccc(C[N@@H+](C)[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1F ZINC000012923868 210030222 /nfs/dbraw/zinc/03/02/22/210030222.db2.gz UABHTEZXIDUIFU-FQEVSTJZSA-N 1 2 383.423 3.943 50 0 GHAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000012914636 210027350 /nfs/dbraw/zinc/02/73/50/210027350.db2.gz OXGKGMDVRVCAJM-UHFFFAOYSA-N 1 2 399.922 3.700 50 0 GHAALO Cc1nc2cc(F)ccc2cc1C(=O)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000012910928 210026676 /nfs/dbraw/zinc/02/66/76/210026676.db2.gz HSUWYTINZIGHBD-UHFFFAOYSA-N 1 2 381.426 3.779 50 0 GHAALO COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2[nH+]cc3ccccn32)c1 ZINC000012602495 209985228 /nfs/dbraw/zinc/98/52/28/209985228.db2.gz LLKFKCNNZFFSDC-GOSISDBHSA-N 1 2 397.500 3.807 50 0 GHAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccnn2C2CCCC2)c(OC)c1 ZINC000007741084 209744435 /nfs/dbraw/zinc/74/44/35/209744435.db2.gz VIWMTLMNKQLQBW-LJQANCHMSA-N 1 2 398.507 3.791 50 0 GHAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccnn2C2CCCC2)c(OC)c1 ZINC000007741084 209744439 /nfs/dbraw/zinc/74/44/39/209744439.db2.gz VIWMTLMNKQLQBW-LJQANCHMSA-N 1 2 398.507 3.791 50 0 GHAALO Cc1cccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)NC(C)(C)C)CC2)c1 ZINC000006832986 209694615 /nfs/dbraw/zinc/69/46/15/209694615.db2.gz BFYAIWFWEDKSBS-UHFFFAOYSA-N 1 2 395.551 3.623 50 0 GHAALO Cc1cccc2c(C)cc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)[nH+]c12 ZINC000001402698 209326418 /nfs/dbraw/zinc/32/64/18/209326418.db2.gz CETKLUPFIKTJNT-UHFFFAOYSA-N 1 2 395.528 3.504 50 0 GHAALO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000225524585 211902236 /nfs/dbraw/zinc/90/22/36/211902236.db2.gz FAEDVDDQPZSAPM-HNNXBMFYSA-N 1 2 382.512 3.682 50 0 GHAALO C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)NCc2ccccc2C[NH+]2CCOCC2)o1 ZINC000096925695 211353223 /nfs/dbraw/zinc/35/32/23/211353223.db2.gz CHXLHXDXBPJACA-MFQWDCDGSA-N 1 2 380.488 3.565 50 0 GHAALO Cc1cc(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)ccc(C)c4c(=O)c3C2)ccc1F ZINC000096326886 211334311 /nfs/dbraw/zinc/33/43/11/211334311.db2.gz MQHGKOIWSVJTMG-UHFFFAOYSA-N 1 2 393.462 3.589 50 0 GHAALO Cc1cc(NC(=O)C[N@H+]2CCc3[nH]c4c(C)ccc(C)c4c(=O)c3C2)ccc1F ZINC000096326886 211334315 /nfs/dbraw/zinc/33/43/15/211334315.db2.gz MQHGKOIWSVJTMG-UHFFFAOYSA-N 1 2 393.462 3.589 50 0 GHAALO Cn1cc([C@H](CC(=O)NCC[NH+]2CCOCC2)C2CCCCC2)c2ccccc21 ZINC000096276902 211329955 /nfs/dbraw/zinc/32/99/55/211329955.db2.gz CRSCSSYLYATPLI-OAQYLSRUSA-N 1 2 397.563 3.681 50 0 GHAALO O=C(Nc1ccc(OCc2ccco2)cc1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000096150807 211311814 /nfs/dbraw/zinc/31/18/14/211311814.db2.gz TVJBZWNPAMWZRH-QGZVFWFLSA-N 1 2 380.448 3.999 50 0 GHAALO CC(C)c1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)on1 ZINC000095509221 211260436 /nfs/dbraw/zinc/26/04/36/211260436.db2.gz GLJZITLOFPKLGJ-AWEZNQCLSA-N 1 2 385.493 3.519 50 0 GHAALO C[C@H](NC(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095350796 211222481 /nfs/dbraw/zinc/22/24/81/211222481.db2.gz BYNQRZLEZKRIPD-LAUBAEHRSA-N 1 2 376.460 3.716 50 0 GHAALO C[C@@H](NC(=O)N1CCO[C@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095350795 211221559 /nfs/dbraw/zinc/22/15/59/211221559.db2.gz BYNQRZLEZKRIPD-UTKZUKDTSA-N 1 2 376.460 3.716 50 0 GHAALO CCOC(=O)C[N@H+](C)Cc1ccc(-c2cc(C(F)(F)F)cnc2N(C)C)cc1 ZINC000091695444 211202622 /nfs/dbraw/zinc/20/26/22/211202622.db2.gz DLJWDFSLJGLVBW-UHFFFAOYSA-N 1 2 395.425 3.828 50 0 GHAALO CCOC(=O)C[N@@H+](C)Cc1ccc(-c2cc(C(F)(F)F)cnc2N(C)C)cc1 ZINC000091695444 211202626 /nfs/dbraw/zinc/20/26/26/211202626.db2.gz DLJWDFSLJGLVBW-UHFFFAOYSA-N 1 2 395.425 3.828 50 0 GHAALO O=C1N(C2CCCCC2)CCC[C@@]12CC[N@H+](Cc1noc(C3CCCC3)n1)C2 ZINC000091390974 211191047 /nfs/dbraw/zinc/19/10/47/211191047.db2.gz WSEYZPAHYTYVSW-QFIPXVFZSA-N 1 2 386.540 3.874 50 0 GHAALO O=C1N(C2CCCCC2)CCC[C@@]12CC[N@@H+](Cc1noc(C3CCCC3)n1)C2 ZINC000091390974 211191051 /nfs/dbraw/zinc/19/10/51/211191051.db2.gz WSEYZPAHYTYVSW-QFIPXVFZSA-N 1 2 386.540 3.874 50 0 GHAALO O=C(N[C@H](CCn1cc[nH+]c1)c1ccccc1)c1cc(-c2ccccc2O)n[nH]1 ZINC000091365172 211189325 /nfs/dbraw/zinc/18/93/25/211189325.db2.gz KZYLFKQCEFTOJU-GOSISDBHSA-N 1 2 387.443 3.540 50 0 GHAALO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000091505864 211194282 /nfs/dbraw/zinc/19/42/82/211194282.db2.gz HTAARILHAGTHFF-SFHVURJKSA-N 1 2 381.455 3.806 50 0 GHAALO CC1=NN(c2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)cc2)CC1 ZINC000084677963 211172697 /nfs/dbraw/zinc/17/26/97/211172697.db2.gz VHNMDQHJVVNSLH-UHFFFAOYSA-N 1 2 377.423 3.527 50 0 GHAALO Cc1nc2sccn2c1C[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000079094750 211154231 /nfs/dbraw/zinc/15/42/31/211154231.db2.gz JLWRAXZUQPIWAI-UHFFFAOYSA-N 1 2 393.310 3.537 50 0 GHAALO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000079094750 211154237 /nfs/dbraw/zinc/15/42/37/211154237.db2.gz JLWRAXZUQPIWAI-UHFFFAOYSA-N 1 2 393.310 3.537 50 0 GHAALO CC[C@H]1C(=O)NCC[N@H+]1Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000072429456 211117570 /nfs/dbraw/zinc/11/75/70/211117570.db2.gz YTGDGHYMOYFXHP-NRFANRHFSA-N 1 2 380.536 3.845 50 0 GHAALO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000072429456 211117574 /nfs/dbraw/zinc/11/75/74/211117574.db2.gz YTGDGHYMOYFXHP-NRFANRHFSA-N 1 2 380.536 3.845 50 0 GHAALO CC[C@@H]1c2cccn2CCN1C(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)on1 ZINC000067851196 211024993 /nfs/dbraw/zinc/02/49/93/211024993.db2.gz AFGZURJEIJQNSF-LJQANCHMSA-N 1 2 389.459 3.790 50 0 GHAALO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000067674996 211015325 /nfs/dbraw/zinc/01/53/25/211015325.db2.gz OSMXPFDYCDTVNO-KRWDZBQOSA-N 1 2 391.920 3.709 50 0 GHAALO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000067674996 211015328 /nfs/dbraw/zinc/01/53/28/211015328.db2.gz OSMXPFDYCDTVNO-KRWDZBQOSA-N 1 2 391.920 3.709 50 0 GHAALO O=C(NCc1ccc[nH+]c1N1CCc2ccccc2C1)[C@H]1CCc2ccccc21 ZINC000067649396 211015043 /nfs/dbraw/zinc/01/50/43/211015043.db2.gz ZHBQKAAWYNFGGT-QHCPKHFHSA-N 1 2 383.495 3.991 50 0 GHAALO COCc1c2ccccc2oc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000058202429 210912243 /nfs/dbraw/zinc/91/22/43/210912243.db2.gz GGJNZKASBUNMOJ-UHFFFAOYSA-N 1 2 379.391 3.834 50 0 GHAALO CC(=O)c1cc(CCC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)oc1C ZINC000030000063 210551475 /nfs/dbraw/zinc/55/14/75/210551475.db2.gz HLHKNCWSINOTBH-FQEVSTJZSA-N 1 2 383.423 3.502 50 0 GHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)NC4CCCCC4)C3)no2)cc1 ZINC000021724579 210390769 /nfs/dbraw/zinc/39/07/69/210390769.db2.gz DWILVYUFXFMAFH-GOSISDBHSA-N 1 2 382.508 3.706 50 0 GHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)NC4CCCCC4)C3)no2)cc1 ZINC000021724579 210390774 /nfs/dbraw/zinc/39/07/74/210390774.db2.gz DWILVYUFXFMAFH-GOSISDBHSA-N 1 2 382.508 3.706 50 0 GHAALO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000020997448 210372724 /nfs/dbraw/zinc/37/27/24/210372724.db2.gz YPHYRSQXHLSFHI-KRWDZBQOSA-N 1 2 391.427 3.560 50 0 GHAALO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000020997448 210372727 /nfs/dbraw/zinc/37/27/27/210372727.db2.gz YPHYRSQXHLSFHI-KRWDZBQOSA-N 1 2 391.427 3.560 50 0 GHAALO Clc1cccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccccc3)CC2)c1 ZINC000020662184 210355231 /nfs/dbraw/zinc/35/52/31/210355231.db2.gz FKBPTRHFDQCTHC-UHFFFAOYSA-N 1 2 390.878 3.796 50 0 GHAALO Fc1ccc(Cc2noc(-c3ccc(NCCCn4cc[nH+]c4)nc3)n2)cc1 ZINC000020534142 210345359 /nfs/dbraw/zinc/34/53/59/210345359.db2.gz AHABPESEGIMFSZ-UHFFFAOYSA-N 1 2 378.411 3.560 50 0 GHAALO COc1ccc2ccccc2c1[S@](=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020404984 210330468 /nfs/dbraw/zinc/33/04/68/210330468.db2.gz XIFLCEQGIKETEC-HHHXNRCGSA-N 1 2 380.513 3.689 50 0 GHAALO CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000019944189 210310691 /nfs/dbraw/zinc/31/06/91/210310691.db2.gz FRTVCSCEWSQEPL-UHFFFAOYSA-N 1 2 384.501 3.832 50 0 GHAALO CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000019944189 210310696 /nfs/dbraw/zinc/31/06/96/210310696.db2.gz FRTVCSCEWSQEPL-UHFFFAOYSA-N 1 2 384.501 3.832 50 0 GHAALO Cc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)cc1C ZINC000020166482 210322402 /nfs/dbraw/zinc/32/24/02/210322402.db2.gz LVUDSRYGHAXGHL-UHFFFAOYSA-N 1 2 389.499 3.581 50 0 GHAALO CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019938181 210308996 /nfs/dbraw/zinc/30/89/96/210308996.db2.gz VKNKXQSJWKHTKR-UHFFFAOYSA-N 1 2 397.544 3.769 50 0 GHAALO CC[C@H](C)c1ccc(S(=O)(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000058316893 136155318 /nfs/dbraw/zinc/15/53/18/136155318.db2.gz RZQOZWPWKPGHNQ-KRWDZBQOSA-N 1 2 387.549 3.885 50 0 GHAALO O=S(=O)(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1F ZINC000048332483 527226929 /nfs/dbraw/zinc/22/69/29/527226929.db2.gz HCAOXCYEUYUASF-QGZVFWFLSA-N 1 2 382.888 3.595 50 0 GHAALO COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000058449978 537069446 /nfs/dbraw/zinc/06/94/46/537069446.db2.gz AFDFZBGHNRAZRK-SFHVURJKSA-N 1 2 389.499 3.998 50 0 GHAALO O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCC2(CC1)OCCO2 ZINC000049629726 570271201 /nfs/dbraw/zinc/27/12/01/570271201.db2.gz AXWUDPBQSALTOE-LJQANCHMSA-N 1 2 392.927 3.669 50 0 GHAALO COCc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)o1 ZINC000011817064 570295589 /nfs/dbraw/zinc/29/55/89/570295589.db2.gz CLDGPIPYOYDIHK-NRFANRHFSA-N 1 2 394.475 3.605 50 0 GHAALO COCc1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)o1 ZINC000011817064 570295592 /nfs/dbraw/zinc/29/55/92/570295592.db2.gz CLDGPIPYOYDIHK-NRFANRHFSA-N 1 2 394.475 3.605 50 0 GHAALO Cn1cc[nH+]c1[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1 ZINC000043272660 570298533 /nfs/dbraw/zinc/29/85/33/570298533.db2.gz BTUZQSSMDDVLEN-INIZCTEOSA-N 1 2 377.416 3.618 50 0 GHAALO Cc1cccc(OCCC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c1C ZINC000024856788 570316006 /nfs/dbraw/zinc/31/60/06/570316006.db2.gz AVHYVNLZNJOFCV-NRFANRHFSA-N 1 2 381.451 3.851 50 0 GHAALO O=C(C[N@@H+]1CCc2ccccc2C1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000035380164 570347538 /nfs/dbraw/zinc/34/75/38/570347538.db2.gz CUWXNCMFCKSONL-LJQANCHMSA-N 1 2 375.428 3.609 50 0 GHAALO O=C(C[N@H+]1CCc2ccccc2C1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000035380164 570347541 /nfs/dbraw/zinc/34/75/41/570347541.db2.gz CUWXNCMFCKSONL-LJQANCHMSA-N 1 2 375.428 3.609 50 0 GHAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)Nc1cc(F)ccc1F ZINC000035404266 570351212 /nfs/dbraw/zinc/35/12/12/570351212.db2.gz XSIZUMHRTCPLBB-UHFFFAOYSA-N 1 2 394.425 3.878 50 0 GHAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)Nc1cc(F)ccc1F ZINC000035404266 570351216 /nfs/dbraw/zinc/35/12/16/570351216.db2.gz XSIZUMHRTCPLBB-UHFFFAOYSA-N 1 2 394.425 3.878 50 0 GHAALO Cc1cccc(CNC(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)c1 ZINC000035404351 570351275 /nfs/dbraw/zinc/35/12/75/570351275.db2.gz YZMUQTCBCBKLAC-UHFFFAOYSA-N 1 2 386.499 3.586 50 0 GHAALO Cc1cccc(CNC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)c1 ZINC000035404351 570351277 /nfs/dbraw/zinc/35/12/77/570351277.db2.gz YZMUQTCBCBKLAC-UHFFFAOYSA-N 1 2 386.499 3.586 50 0 GHAALO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023264660 570353192 /nfs/dbraw/zinc/35/31/92/570353192.db2.gz KRDZOHBFAMSEPB-CQSZACIVSA-N 1 2 397.466 3.912 50 0 GHAALO COc1cc(C)c(CN2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1C ZINC000023373715 570357907 /nfs/dbraw/zinc/35/79/07/570357907.db2.gz CXRANQXOAXZKCN-QFIPXVFZSA-N 1 2 386.511 3.520 50 0 GHAALO COc1cc(C)c(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1C ZINC000023373715 570357908 /nfs/dbraw/zinc/35/79/08/570357908.db2.gz CXRANQXOAXZKCN-QFIPXVFZSA-N 1 2 386.511 3.520 50 0 GHAALO O=C(COc1ccc(Cl)c(Cl)c1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000023379240 570359096 /nfs/dbraw/zinc/35/90/96/570359096.db2.gz RYCJOVVQDLVCMS-UHFFFAOYSA-N 1 2 395.286 3.843 50 0 GHAALO CC(C)c1c(C(=O)NCCc2cn3ccccc3[nH+]2)cnn1Cc1ccccc1 ZINC000032057866 570387780 /nfs/dbraw/zinc/38/77/80/570387780.db2.gz ABDQBNMHFSGKHJ-UHFFFAOYSA-N 1 2 387.487 3.675 50 0 GHAALO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)Cc1cccs1 ZINC000024748354 570391255 /nfs/dbraw/zinc/39/12/55/570391255.db2.gz ZBVAYIDNPAICTB-UHFFFAOYSA-N 1 2 387.288 3.912 50 0 GHAALO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+](C)Cc1cccs1 ZINC000024748354 570391258 /nfs/dbraw/zinc/39/12/58/570391258.db2.gz ZBVAYIDNPAICTB-UHFFFAOYSA-N 1 2 387.288 3.912 50 0 GHAALO C[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1cccc(F)c1 ZINC000024778213 570393259 /nfs/dbraw/zinc/39/32/59/570393259.db2.gz SQDQNJTZDBIWCX-UHFFFAOYSA-N 1 2 378.451 3.959 50 0 GHAALO C[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1cccc(F)c1 ZINC000024778213 570393264 /nfs/dbraw/zinc/39/32/64/570393264.db2.gz SQDQNJTZDBIWCX-UHFFFAOYSA-N 1 2 378.451 3.959 50 0 GHAALO Cc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000033704289 570400707 /nfs/dbraw/zinc/40/07/07/570400707.db2.gz HRCXJFDGOORYIK-UHFFFAOYSA-N 1 2 390.487 3.548 50 0 GHAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000025454328 570414089 /nfs/dbraw/zinc/41/40/89/570414089.db2.gz LXJJGSBJQLOZLM-INIZCTEOSA-N 1 2 380.517 3.512 50 0 GHAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000025454328 570414090 /nfs/dbraw/zinc/41/40/90/570414090.db2.gz LXJJGSBJQLOZLM-INIZCTEOSA-N 1 2 380.517 3.512 50 0 GHAALO COc1cccc([C@H]2C[C@@](C)([NH+]3CCCC3)Oc3cc4c(cc32)OCO4)c1O ZINC000025540829 570415707 /nfs/dbraw/zinc/41/57/07/570415707.db2.gz CRSJWEZUGYNWDK-ZHRRBRCNSA-N 1 2 383.444 3.856 50 0 GHAALO O=C(c1cccc(Cl)c1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026539237 570426670 /nfs/dbraw/zinc/42/66/70/570426670.db2.gz XAUTUFFUMGLBMP-UHFFFAOYSA-N 1 2 393.270 3.680 50 0 GHAALO O=C(CSc1nc2ccccc2[nH]1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000050806368 570465342 /nfs/dbraw/zinc/46/53/42/570465342.db2.gz OXAVTVZNEASHQP-TWGQIWQCSA-N 1 2 392.528 3.513 50 0 GHAALO CNc1nc(N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)[nH+]cc1Br ZINC000133805497 570468578 /nfs/dbraw/zinc/46/85/78/570468578.db2.gz SWJFPPIABMMIBP-CHWSQXEVSA-N 1 2 385.212 3.501 50 0 GHAALO COc1ccc2[nH]cc(C(=O)C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000036006821 570510781 /nfs/dbraw/zinc/51/07/81/570510781.db2.gz FJAGAZYZGZNXTF-UHFFFAOYSA-N 1 2 383.879 3.835 50 0 GHAALO C[C@H](NC(=O)Cn1c2ccccc2[nH+]c1CCCO)c1ccc2ccccc2c1 ZINC000006657849 570522149 /nfs/dbraw/zinc/52/21/49/570522149.db2.gz NBXNEQODUOJSQS-KRWDZBQOSA-N 1 2 387.483 3.992 50 0 GHAALO COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)[NH+]2CCCC2)c1 ZINC000022852431 570556492 /nfs/dbraw/zinc/55/64/92/570556492.db2.gz FXYYBMNELDKXPR-INIZCTEOSA-N 1 2 396.472 3.950 50 0 GHAALO CCC[N@H+](CC(=O)Nc1nc(C)no1)[C@@H](C)c1ccccc1Br ZINC000225675932 570601322 /nfs/dbraw/zinc/60/13/22/570601322.db2.gz KCXONWTYLDIUKM-NSHDSACASA-N 1 2 381.274 3.552 50 0 GHAALO CCC[N@@H+](CC(=O)Nc1nc(C)no1)[C@@H](C)c1ccccc1Br ZINC000225675932 570601327 /nfs/dbraw/zinc/60/13/27/570601327.db2.gz KCXONWTYLDIUKM-NSHDSACASA-N 1 2 381.274 3.552 50 0 GHAALO COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN3Cc3[nH]cc[nH+]3)cc2)c1 ZINC000012302945 570636831 /nfs/dbraw/zinc/63/68/31/570636831.db2.gz WQZVDSNTUXXLFW-HXUWFJFHSA-N 1 2 376.460 3.688 50 0 GHAALO CCn1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)cn1 ZINC000012439243 570663485 /nfs/dbraw/zinc/66/34/85/570663485.db2.gz LCPJEPWYGWOAOE-FQEVSTJZSA-N 1 2 391.475 3.693 50 0 GHAALO CCn1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)cn1 ZINC000012439243 570663488 /nfs/dbraw/zinc/66/34/88/570663488.db2.gz LCPJEPWYGWOAOE-FQEVSTJZSA-N 1 2 391.475 3.693 50 0 GHAALO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2Cc2[nH+]ccn2C)cc1 ZINC000012447309 570667264 /nfs/dbraw/zinc/66/72/64/570667264.db2.gz BIAJYIJOWMDYNU-NRFANRHFSA-N 1 2 390.487 3.699 50 0 GHAALO CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c[nH+]1 ZINC000036391236 570673574 /nfs/dbraw/zinc/67/35/74/570673574.db2.gz MIBPUWYCKZTTSK-OAHLLOKOSA-N 1 2 375.900 3.973 50 0 GHAALO Cc1ccc(C(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2)cc1NC(=O)C1CC1 ZINC000055368970 570692605 /nfs/dbraw/zinc/69/26/05/570692605.db2.gz ZPFQLFDSQJAGLN-LJQANCHMSA-N 1 2 380.492 3.625 50 0 GHAALO CCOc1ccc([C@H]2CCC[N@@H+]2CN2C(=O)NC3(CCCCCC3)C2=O)cc1 ZINC000052584172 570754243 /nfs/dbraw/zinc/75/42/43/570754243.db2.gz FDUOHTOHQHSLEZ-LJQANCHMSA-N 1 2 385.508 3.825 50 0 GHAALO CCOc1ccc([C@H]2CCC[N@H+]2CN2C(=O)NC3(CCCCCC3)C2=O)cc1 ZINC000052584172 570754248 /nfs/dbraw/zinc/75/42/48/570754248.db2.gz FDUOHTOHQHSLEZ-LJQANCHMSA-N 1 2 385.508 3.825 50 0 GHAALO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)Cc1cccnc1)C2 ZINC000065260082 570762269 /nfs/dbraw/zinc/76/22/69/570762269.db2.gz YBYXPDBYHGKOII-HSZRJFAPSA-N 1 2 391.519 3.529 50 0 GHAALO Cc1ccc(C(=O)N2CCC[C@]3(C2)Nc2ccccc2NC3=[NH+]C(C)(C)C)cn1 ZINC000065260078 570762381 /nfs/dbraw/zinc/76/23/81/570762381.db2.gz OATLOWZUMZREJS-HSZRJFAPSA-N 1 2 391.519 3.909 50 0 GHAALO O=C(CC1CCCC1)N1CC[C@]2(C1)[NH2+]Cc1ccccc1NC2=NC1CCCC1 ZINC000065265901 570768807 /nfs/dbraw/zinc/76/88/07/570768807.db2.gz JVCNUXKXMKEYII-XMMPIXPASA-N 1 2 394.563 3.903 50 0 GHAALO CC(C)(C)N=C1Nc2ccccc2C[NH2+][C@]12CCN(C(=O)c1cccs1)C2 ZINC000065265948 570768996 /nfs/dbraw/zinc/76/89/96/570768996.db2.gz VMRVRORCKORUAQ-NRFANRHFSA-N 1 2 382.533 3.554 50 0 GHAALO CC(C)(C)N=C1Nc2ccccc2C[NH2+][C@@]12CCN(C(=O)CC1CCCC1)C2 ZINC000065265979 570769316 /nfs/dbraw/zinc/76/93/16/570769316.db2.gz OFDWAJGNKYOMQB-HSZRJFAPSA-N 1 2 382.552 3.759 50 0 GHAALO COc1ccc(CNC(=O)C2CCN(c3[nH]c4ccc(Cl)cc4[nH+]3)CC2)cc1 ZINC000033071124 570802572 /nfs/dbraw/zinc/80/25/72/570802572.db2.gz WXCCYNYLXSLTMV-UHFFFAOYSA-N 1 2 398.894 3.758 50 0 GHAALO CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000012525084 570829892 /nfs/dbraw/zinc/82/98/92/570829892.db2.gz GXZRRNUXBPSCCH-QGZVFWFLSA-N 1 2 383.517 3.923 50 0 GHAALO COc1ccccc1-c1cc(C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)on1 ZINC000012562389 570867402 /nfs/dbraw/zinc/86/74/02/570867402.db2.gz WVYVQFNFHBYKNH-UHFFFAOYSA-N 1 2 391.471 3.875 50 0 GHAALO Cc1c(C)c(C)c(S(=O)(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1C ZINC000032876242 570872254 /nfs/dbraw/zinc/87/22/54/570872254.db2.gz YFEUUIYRBBCUAH-UHFFFAOYSA-N 1 2 397.544 3.952 50 0 GHAALO O=C(Nc1ccccc1Br)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000013745414 570900945 /nfs/dbraw/zinc/90/09/45/570900945.db2.gz YZBOEBXOUWVZBJ-UHFFFAOYSA-N 1 2 392.272 3.938 50 0 GHAALO O=C(NC[C@@H](c1cccc2ccccc21)[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000023106423 570905399 /nfs/dbraw/zinc/90/53/99/570905399.db2.gz YEWIIUSJNPGNGQ-QFIPXVFZSA-N 1 2 378.447 3.782 50 0 GHAALO CCCn1cc[nH+]c1CNC(=O)N(Cc1sccc1C)Cc1ccccn1 ZINC000534652026 570914208 /nfs/dbraw/zinc/91/42/08/570914208.db2.gz YFYVJGZRZSPCNU-UHFFFAOYSA-N 1 2 383.521 3.970 50 0 GHAALO Cc1ccc2[nH]c(CCNC(=O)N3CCO[C@H](c4ccccc4)C3)[nH+]c2c1C ZINC000534659091 570916475 /nfs/dbraw/zinc/91/64/75/570916475.db2.gz HDGNDTDQXIIMPP-IBGZPJMESA-N 1 2 378.476 3.505 50 0 GHAALO CCn1ncc(-c2cccc(C(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)c2)c1C ZINC000534649365 570917833 /nfs/dbraw/zinc/91/78/33/570917833.db2.gz PDQRMYJQFNYDMV-GOSISDBHSA-N 1 2 377.492 3.627 50 0 GHAALO CCN(Cc1cc(Br)ccc1F)C(=O)C[NH+]1Cc2ccccc2C1 ZINC000089969249 570922658 /nfs/dbraw/zinc/92/26/58/570922658.db2.gz OWPBRJJDNLKLQD-UHFFFAOYSA-N 1 2 391.284 3.953 50 0 GHAALO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929433 570957310 /nfs/dbraw/zinc/95/73/10/570957310.db2.gz HQVQURZMNGQANV-OCCSQVGLSA-N 1 2 398.334 3.559 50 0 GHAALO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929433 570957312 /nfs/dbraw/zinc/95/73/12/570957312.db2.gz HQVQURZMNGQANV-OCCSQVGLSA-N 1 2 398.334 3.559 50 0 GHAALO O=C(NCCCn1cc[nH+]c1)c1cc2sccc2n1Cc1ccccc1F ZINC000044901622 570981891 /nfs/dbraw/zinc/98/18/91/570981891.db2.gz NYMJQOWYCHYWLJ-UHFFFAOYSA-N 1 2 382.464 3.907 50 0 GHAALO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cn3c4ccccc4n(C)c3=S)CC2)C1 ZINC000045801747 570997103 /nfs/dbraw/zinc/99/71/03/570997103.db2.gz YMWSKWFURULIRR-MRXNPFEDSA-N 1 2 386.565 3.637 50 0 GHAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000007696657 571017432 /nfs/dbraw/zinc/01/74/32/571017432.db2.gz ABOUONZVEFJJAD-UHFFFAOYSA-N 1 2 395.341 3.896 50 0 GHAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000007696657 571017435 /nfs/dbraw/zinc/01/74/35/571017435.db2.gz ABOUONZVEFJJAD-UHFFFAOYSA-N 1 2 395.341 3.896 50 0 GHAALO Brc1csc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000022454615 841392444 /nfs/dbraw/zinc/39/24/44/841392444.db2.gz BLLBEBDDMYPPRM-UHFFFAOYSA-N 1 2 395.322 3.557 50 0 GHAALO CC(C)N(C(=O)c1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCc2cccnc21 ZINC000585079997 842160969 /nfs/dbraw/zinc/16/09/69/842160969.db2.gz MBRIIEOHHYEBQS-JOCHJYFZSA-N 1 2 393.531 3.842 50 0 GHAALO Fc1ccccc1-c1cnc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)o1 ZINC000182138799 843202502 /nfs/dbraw/zinc/20/25/02/843202502.db2.gz SFFWXLVFQUEOHH-HXUWFJFHSA-N 1 2 381.451 3.644 50 0 GHAALO Cc1cc(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c(C)n1C1CC1 ZINC000057286370 861945088 /nfs/dbraw/zinc/94/50/88/861945088.db2.gz QUMYQVPGHRNTFI-UHFFFAOYSA-N 1 2 395.503 3.679 50 0 GHAALO CCC[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000040068862 856647347 /nfs/dbraw/zinc/64/73/47/856647347.db2.gz DGYBMUOJTWZMEI-JOCHJYFZSA-N 1 2 381.520 3.859 50 0 GHAALO C[C@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009549694 857228268 /nfs/dbraw/zinc/22/82/68/857228268.db2.gz OJBCHHFVZJZGAR-HNNXBMFYSA-N 1 2 389.484 3.811 50 0 GHAALO C[C@@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009549695 857228564 /nfs/dbraw/zinc/22/85/64/857228564.db2.gz OJBCHHFVZJZGAR-OAHLLOKOSA-N 1 2 389.484 3.811 50 0 GHAALO Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)cn2)c1 ZINC000095972821 860727164 /nfs/dbraw/zinc/72/71/64/860727164.db2.gz FJHZFXCVZHVHHB-GOSISDBHSA-N 1 2 376.460 3.566 50 0 GHAALO Cc1ccc2nc(CNC(=O)[C@@H](c3ccc(F)cc3)[NH+]3CCCCC3)cn2c1 ZINC000827647443 865055645 /nfs/dbraw/zinc/05/56/45/865055645.db2.gz KIFHEFYDZCXFKI-OAQYLSRUSA-N 1 2 380.467 3.625 50 0 GHAALO Cc1c[nH+]c([C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1Cc1ccc(F)cc1 ZINC000581815724 870044459 /nfs/dbraw/zinc/04/44/59/870044459.db2.gz HBBCNPNLBLEUCS-SFHVURJKSA-N 1 2 399.491 3.557 50 0 GHAALO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000007879021 879358332 /nfs/dbraw/zinc/35/83/32/879358332.db2.gz LDZFSMTZGUGCTC-HNNXBMFYSA-N 1 2 385.533 3.788 50 0 GHAALO CCN(CC)C(=O)c1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000007879021 879358342 /nfs/dbraw/zinc/35/83/42/879358342.db2.gz LDZFSMTZGUGCTC-HNNXBMFYSA-N 1 2 385.533 3.788 50 0 GHAALO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CCO[C@H](c2cccs2)C1 ZINC000134967340 928153153 /nfs/dbraw/zinc/15/31/53/928153153.db2.gz GCSNQJQZDSSLPR-SFHVURJKSA-N 1 2 398.488 3.629 50 0 GHAALO O=C1NC2(C[C@@H]1c1ccccc1)CCN(c1cc(C(F)(F)F)cc[nH+]1)CC2 ZINC000426509341 231232711 /nfs/dbraw/zinc/23/27/11/231232711.db2.gz HQEFCMYLLZDXSP-MRXNPFEDSA-N 1 2 375.394 3.743 50 0 GHAALO O=C(c1ccc(OC2CC[NH+](Cc3nccs3)CC2)cc1)N1CCCCC1 ZINC000019336110 210241651 /nfs/dbraw/zinc/24/16/51/210241651.db2.gz UYTBRCJHODDUMN-UHFFFAOYSA-N 1 2 385.533 3.813 50 0 GHAALO O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000018017622 210211675 /nfs/dbraw/zinc/21/16/75/210211675.db2.gz YPDYPUOZGJSWRH-UHFFFAOYSA-N 1 2 380.879 3.688 50 0 GHAALO Cc1c(C)c(C)c(S(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)c1C ZINC000017080281 210204554 /nfs/dbraw/zinc/20/45/54/210204554.db2.gz VWUCNBFGPJZXFZ-UHFFFAOYSA-N 1 2 392.590 3.797 50 0 GHAALO CCCCc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000017077483 210202001 /nfs/dbraw/zinc/20/20/01/210202001.db2.gz IKUKFTJVXRUQBI-UHFFFAOYSA-N 1 2 378.563 3.597 50 0 GHAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1n[nH]c2ccccc21 ZINC000016237436 210186829 /nfs/dbraw/zinc/18/68/29/210186829.db2.gz YPGYCXCMMZFUEN-UHFFFAOYSA-N 1 2 389.484 3.830 50 0 GHAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1n[nH]c2ccccc21 ZINC000016237436 210186831 /nfs/dbraw/zinc/18/68/31/210186831.db2.gz YPGYCXCMMZFUEN-UHFFFAOYSA-N 1 2 389.484 3.830 50 0 GHAALO Cc1cc(N2CCN([C@@H](C)C(=O)c3c[nH]c4ccccc34)CC2)nc(C(C)C)[nH+]1 ZINC000015032927 210144491 /nfs/dbraw/zinc/14/44/91/210144491.db2.gz IAERHULCEOJOAP-KRWDZBQOSA-N 1 2 391.519 3.783 50 0 GHAALO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCN(c2ccccc2O)CC1 ZINC000013072926 210050253 /nfs/dbraw/zinc/05/02/53/210050253.db2.gz LTBNVPZDEXFWRY-AWEZNQCLSA-N 1 2 393.409 3.560 50 0 GHAALO O=C(C[NH+]1CCC(c2nc3ccccc3o2)CC1)Nc1ccnn1C1CCCC1 ZINC000012866682 210020148 /nfs/dbraw/zinc/02/01/48/210020148.db2.gz GNULPTLNTMDVRC-UHFFFAOYSA-N 1 2 393.491 3.958 50 0 GHAALO COc1cc(NC(=O)C[N@H+](C)[C@H](C)c2nc3ccccc3s2)cc(OC)c1 ZINC000012814037 210014880 /nfs/dbraw/zinc/01/48/80/210014880.db2.gz RQNHVCOKAXRWNB-CYBMUJFWSA-N 1 2 385.489 3.945 50 0 GHAALO COc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)cc(OC)c1 ZINC000012814037 210014884 /nfs/dbraw/zinc/01/48/84/210014884.db2.gz RQNHVCOKAXRWNB-CYBMUJFWSA-N 1 2 385.489 3.945 50 0 GHAALO CCn1cc[nH+]c1CN(C)C(=O)c1csc2nc(-c3ccccc3C)cn12 ZINC000012298578 209930794 /nfs/dbraw/zinc/93/07/94/209930794.db2.gz MVNFMSMOYXCRQR-UHFFFAOYSA-N 1 2 379.489 3.860 50 0 GHAALO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)no1 ZINC000011087961 209870242 /nfs/dbraw/zinc/87/02/42/209870242.db2.gz RYIVBBNZOUVWDK-INIZCTEOSA-N 1 2 392.459 3.867 50 0 GHAALO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)no1 ZINC000011087961 209870246 /nfs/dbraw/zinc/87/02/46/209870246.db2.gz RYIVBBNZOUVWDK-INIZCTEOSA-N 1 2 392.459 3.867 50 0 GHAALO O=C(CSc1[nH+]cnc2c1cnn2Cc1ccccc1)Nc1cccc(F)c1 ZINC000002448468 209365414 /nfs/dbraw/zinc/36/54/14/209365414.db2.gz QYSQTDGCKSRDOC-UHFFFAOYSA-N 1 2 393.447 3.745 50 0 GHAALO Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(C[NH+]3CCCCCC3)C2=O)cc1 ZINC000001320693 209319773 /nfs/dbraw/zinc/31/97/73/209319773.db2.gz BPASMLZCJCRINA-XMMPIXPASA-N 1 2 392.499 3.636 50 0 GHAALO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000229816843 209190861 /nfs/dbraw/zinc/19/08/61/209190861.db2.gz SBYJYWIHRYCPIM-LSDHHAIUSA-N 1 2 383.883 3.589 50 0 GHAALO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000229816843 209190864 /nfs/dbraw/zinc/19/08/64/209190864.db2.gz SBYJYWIHRYCPIM-LSDHHAIUSA-N 1 2 383.883 3.589 50 0 GHAALO Cc1ccccc1N1C(=O)C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1C ZINC000299767240 212032409 /nfs/dbraw/zinc/03/24/09/212032409.db2.gz JCJFLFBCGQTLCH-MRXNPFEDSA-N 1 2 378.451 3.762 50 0 GHAALO Cc1ccccc1N1C(=O)C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1C ZINC000299767240 212032413 /nfs/dbraw/zinc/03/24/13/212032413.db2.gz JCJFLFBCGQTLCH-MRXNPFEDSA-N 1 2 378.451 3.762 50 0 GHAALO O=C(CN1CC[NH+](C/C=C\c2ccccc2)CC1)Nc1cc(Cl)ccc1F ZINC000096781158 211347770 /nfs/dbraw/zinc/34/77/70/211347770.db2.gz RPEXYHUEJNPERG-DAXSKMNVSA-N 1 2 387.886 3.749 50 0 GHAALO COc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)c2ncoc2-c2ccccc2)CC1 ZINC000095958363 211287072 /nfs/dbraw/zinc/28/70/72/211287072.db2.gz NPBQROMFIOXYKX-QGZVFWFLSA-N 1 2 391.471 3.869 50 0 GHAALO O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095525115 211269688 /nfs/dbraw/zinc/26/96/88/211269688.db2.gz VCFQOJHWGJMFFZ-IBGZPJMESA-N 1 2 385.471 3.828 50 0 GHAALO Cc1nn(CCC(=O)N2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)c(C)c1C ZINC000095523977 211269355 /nfs/dbraw/zinc/26/93/55/211269355.db2.gz JNMRHVVDXJOKAW-FQEVSTJZSA-N 1 2 383.540 3.601 50 0 GHAALO O=C(c1cc(F)ccc1F)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095516517 211265315 /nfs/dbraw/zinc/26/53/15/211265315.db2.gz DDQXKADJWXSCFD-INIZCTEOSA-N 1 2 382.414 3.624 50 0 GHAALO O=C(c1cc(=O)[nH]c2ccccc21)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000095510973 211262095 /nfs/dbraw/zinc/26/20/95/211262095.db2.gz KSZVLMLMRDUOLO-UHFFFAOYSA-N 1 2 390.487 3.545 50 0 GHAALO O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095504742 211254733 /nfs/dbraw/zinc/25/47/33/211254733.db2.gz CVAKMYZXJBGDMY-MRXNPFEDSA-N 1 2 391.500 3.889 50 0 GHAALO CC(C)[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1nc(-c2ccncc2)no1 ZINC000095348909 211220461 /nfs/dbraw/zinc/22/04/61/211220461.db2.gz FFTUKIBNLZFEKK-HXUWFJFHSA-N 1 2 388.475 3.863 50 0 GHAALO COc1ccc(F)cc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccnc(C(C)C)n1 ZINC000072468859 211122022 /nfs/dbraw/zinc/12/20/22/211122022.db2.gz ZZICGUNOPZCUOK-FQEVSTJZSA-N 1 2 381.455 3.619 50 0 GHAALO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000072304088 211087319 /nfs/dbraw/zinc/08/73/19/211087319.db2.gz FQESARYJHTXQRL-VQIMIIECSA-N 1 2 377.410 3.698 50 0 GHAALO O=C(C[N@@H+]1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1)NC1CC1 ZINC000071707915 211051174 /nfs/dbraw/zinc/05/11/74/211051174.db2.gz BQYVFDWXZRSLRH-GOSISDBHSA-N 1 2 378.472 3.652 50 0 GHAALO O=C(C[N@H+]1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1)NC1CC1 ZINC000071707915 211051177 /nfs/dbraw/zinc/05/11/77/211051177.db2.gz BQYVFDWXZRSLRH-GOSISDBHSA-N 1 2 378.472 3.652 50 0 GHAALO O=C(NCc1c[nH+]cn1C1CC1)c1csc2nc(-c3ccccc3F)cn12 ZINC000067867468 211026310 /nfs/dbraw/zinc/02/63/10/211026310.db2.gz CHFJSPLXUSGVTD-UHFFFAOYSA-N 1 2 381.436 3.663 50 0 GHAALO Cc1noc(C)c1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020294738 210327697 /nfs/dbraw/zinc/32/76/97/210327697.db2.gz LHPRYZJBRDAOHX-UHFFFAOYSA-N 1 2 375.472 3.839 50 0 GHAALO Cc1cc(C)cc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019841017 210302686 /nfs/dbraw/zinc/30/26/86/210302686.db2.gz IETWHQPWGZYDJX-UHFFFAOYSA-N 1 2 383.517 3.547 50 0 GHAALO COc1cc(-c2nc(CN3CC[NH+](Cc4ccccn4)CC3)c(C)o2)ccc1F ZINC000019742199 210290461 /nfs/dbraw/zinc/29/04/61/210290461.db2.gz CRLVVRBVLCRGIJ-UHFFFAOYSA-N 1 2 396.466 3.511 50 0 GHAALO C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000058124069 136154415 /nfs/dbraw/zinc/15/44/15/136154415.db2.gz XOGSCCWLNOPWCM-OAHLLOKOSA-N 1 2 388.309 3.598 50 0 GHAALO Cc1nc(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C2CC2)C3)cc[nH+]1 ZINC000091390888 136176223 /nfs/dbraw/zinc/17/62/23/136176223.db2.gz NBAQAYXCDGHSHW-FQEVSTJZSA-N 1 2 376.504 3.550 50 0 GHAALO Cc1cc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C2CC2)C3)nc[nH+]1 ZINC000095357077 136178027 /nfs/dbraw/zinc/17/80/27/136178027.db2.gz UJVIGMZQKNOARP-HXUWFJFHSA-N 1 2 376.504 3.550 50 0 GHAALO O=C1C[C@H]([N@@H+]2CCc3ccccc3C2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000101095599 534780138 /nfs/dbraw/zinc/78/01/38/534780138.db2.gz ZIBKRYHCMALQLS-KRWDZBQOSA-N 1 2 375.255 3.684 50 0 GHAALO O=C1C[C@H]([N@H+]2CCc3ccccc3C2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000101095599 534780148 /nfs/dbraw/zinc/78/01/48/534780148.db2.gz ZIBKRYHCMALQLS-KRWDZBQOSA-N 1 2 375.255 3.684 50 0 GHAALO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1ccc2c(c1)CCC2 ZINC000072303660 535702502 /nfs/dbraw/zinc/70/25/02/535702502.db2.gz XXELKQDVEYZCKW-UHFFFAOYSA-N 1 2 377.532 3.878 50 0 GHAALO CO[C@H]1CCCN(c2ccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)cc2)C1 ZINC000096122489 536712692 /nfs/dbraw/zinc/71/26/92/536712692.db2.gz KKPKFUBZPRHSOW-QFIPXVFZSA-N 1 2 390.487 3.799 50 0 GHAALO C[N@H+](Cc1nc(-c2ccco2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911351 570216289 /nfs/dbraw/zinc/21/62/89/570216289.db2.gz PBVAIXKIINJLRL-XJKSGUPXSA-N 1 2 380.231 3.727 50 0 GHAALO C[N@@H+](Cc1nc(-c2ccco2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911351 570216290 /nfs/dbraw/zinc/21/62/90/570216290.db2.gz PBVAIXKIINJLRL-XJKSGUPXSA-N 1 2 380.231 3.727 50 0 GHAALO COc1cc(Br)ccc1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112670648 570254380 /nfs/dbraw/zinc/25/43/80/570254380.db2.gz VYRLOQUWDZIHGT-UHFFFAOYSA-N 1 2 392.297 3.513 50 0 GHAALO CC(C)=CCN1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@H]1CCO ZINC000104402107 570258066 /nfs/dbraw/zinc/25/80/66/570258066.db2.gz VUJJVVQHSVLVCC-HXUWFJFHSA-N 1 2 388.943 3.565 50 0 GHAALO CC(C)=CCN1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@H]1CCO ZINC000104402107 570258067 /nfs/dbraw/zinc/25/80/67/570258067.db2.gz VUJJVVQHSVLVCC-HXUWFJFHSA-N 1 2 388.943 3.565 50 0 GHAALO Cc1ccc2[nH]c(CNC(=O)N3CCCC[C@H]3CCn3cc[nH+]c3)nc2c1C ZINC000584902145 570271370 /nfs/dbraw/zinc/27/13/70/570271370.db2.gz AQVIXMGYEBBTTN-KRWDZBQOSA-N 1 2 380.496 3.531 50 0 GHAALO Cc1ccc2nc(CNC(=O)N3CCCC[C@H]3CCn3cc[nH+]c3)[nH]c2c1C ZINC000584902145 570271372 /nfs/dbraw/zinc/27/13/72/570271372.db2.gz AQVIXMGYEBBTTN-KRWDZBQOSA-N 1 2 380.496 3.531 50 0 GHAALO Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc[nH+]c3N(C)C)c12 ZINC000049728214 570272222 /nfs/dbraw/zinc/27/22/22/570272222.db2.gz DCSCEYYOYSNGNH-UHFFFAOYSA-N 1 2 392.488 3.719 50 0 GHAALO Fc1cccc(-c2nnc([C@@H]3CC34CC[NH+](Cc3nc(C5CC5)no3)CC4)o2)c1 ZINC000071890580 570275517 /nfs/dbraw/zinc/27/55/17/570275517.db2.gz QFNBGHBOPZQIAA-INIZCTEOSA-N 1 2 395.438 3.906 50 0 GHAALO COc1ccc(C[N@H+](C)Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1OC ZINC000033379598 570284198 /nfs/dbraw/zinc/28/41/98/570284198.db2.gz NPDDQYYMSNGUAI-UHFFFAOYSA-N 1 2 399.516 3.513 50 0 GHAALO COc1ccc(C[N@@H+](C)Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1OC ZINC000033379598 570284200 /nfs/dbraw/zinc/28/42/00/570284200.db2.gz NPDDQYYMSNGUAI-UHFFFAOYSA-N 1 2 399.516 3.513 50 0 GHAALO Cc1ccc(C[N@@H+]2CCO[C@@H](CN(CC(C)C)C(=O)c3ccccc3)C2)cc1 ZINC000034670683 570293388 /nfs/dbraw/zinc/29/33/88/570293388.db2.gz AGRAPYGEWHZEBE-HSZRJFAPSA-N 1 2 380.532 3.994 50 0 GHAALO Cc1ccc(C[N@H+]2CCO[C@@H](CN(CC(C)C)C(=O)c3ccccc3)C2)cc1 ZINC000034670683 570293390 /nfs/dbraw/zinc/29/33/90/570293390.db2.gz AGRAPYGEWHZEBE-HSZRJFAPSA-N 1 2 380.532 3.994 50 0 GHAALO O=C(Cc1ccc2ccccc2c1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000022465230 570317898 /nfs/dbraw/zinc/31/78/98/570317898.db2.gz NDHNUNKHQNVATH-FQEVSTJZSA-N 1 2 380.513 3.634 50 0 GHAALO Cc1cc2c(cc1-c1ccnc(NCC[NH+]3CCOCC3)n1)NC(C)(C)C[C@@H]2C ZINC000575473304 570320158 /nfs/dbraw/zinc/32/01/58/570320158.db2.gz XAVTUOSVWGMRBM-KRWDZBQOSA-N 1 2 395.551 3.894 50 0 GHAALO CC(=O)N(c1nc(CSc2[nH+]cnc3c2cnn3C)cs1)c1ccccc1 ZINC000011682846 570326099 /nfs/dbraw/zinc/32/60/99/570326099.db2.gz BYWGMHQDCNORJS-UHFFFAOYSA-N 1 2 396.501 3.797 50 0 GHAALO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000022914787 570334668 /nfs/dbraw/zinc/33/46/68/570334668.db2.gz JFJKFFTYISWVRN-CYBMUJFWSA-N 1 2 382.291 3.731 50 0 GHAALO CCCOc1ccc(CCC(=O)N2CC([N@@H+]3CCc4sccc4C3)C2)cc1 ZINC000390827523 570355862 /nfs/dbraw/zinc/35/58/62/570355862.db2.gz HFNGXOUNGBTJIB-UHFFFAOYSA-N 1 2 384.545 3.739 50 0 GHAALO CCCOc1ccc(CCC(=O)N2CC([N@H+]3CCc4sccc4C3)C2)cc1 ZINC000390827523 570355867 /nfs/dbraw/zinc/35/58/67/570355867.db2.gz HFNGXOUNGBTJIB-UHFFFAOYSA-N 1 2 384.545 3.739 50 0 GHAALO CSc1ccc(C[N@H+](C)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 ZINC000023508184 570364287 /nfs/dbraw/zinc/36/42/87/570364287.db2.gz JTFCBKIZRKXPMT-JOCHJYFZSA-N 1 2 395.528 3.581 50 0 GHAALO CSc1ccc(C[N@@H+](C)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 ZINC000023508184 570364288 /nfs/dbraw/zinc/36/42/88/570364288.db2.gz JTFCBKIZRKXPMT-JOCHJYFZSA-N 1 2 395.528 3.581 50 0 GHAALO O=C1c2ccccc2C(=O)N1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000023743215 570371119 /nfs/dbraw/zinc/37/11/19/570371119.db2.gz UGBWVUQWYMCWJH-UHFFFAOYSA-N 1 2 377.469 3.729 50 0 GHAALO COc1cccc(C[N@H+](C)[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1OC ZINC000016378233 570376763 /nfs/dbraw/zinc/37/67/63/570376763.db2.gz PWBMIHVNFWWGEG-LRYXAPPNSA-N 1 2 386.536 3.609 50 0 GHAALO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1OC ZINC000016378233 570376766 /nfs/dbraw/zinc/37/67/66/570376766.db2.gz PWBMIHVNFWWGEG-LRYXAPPNSA-N 1 2 386.536 3.609 50 0 GHAALO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000021841915 570384405 /nfs/dbraw/zinc/38/44/05/570384405.db2.gz ZETRQNCQVQSOHP-WUTDNEBXSA-N 1 2 395.522 3.504 50 0 GHAALO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000021841915 570384407 /nfs/dbraw/zinc/38/44/07/570384407.db2.gz ZETRQNCQVQSOHP-WUTDNEBXSA-N 1 2 395.522 3.504 50 0 GHAALO COc1ccccc1CNC(=O)c1ccc(Cn2c(C)[nH+]c3ccccc32)o1 ZINC000035597054 570399571 /nfs/dbraw/zinc/39/95/71/570399571.db2.gz SCEFMDYZCKNDOS-UHFFFAOYSA-N 1 2 375.428 3.925 50 0 GHAALO CCOc1ccccc1S(=O)(=O)Nc1cccc(-c2c[nH+]c3n2CCC3)c1 ZINC000090655242 570406937 /nfs/dbraw/zinc/40/69/37/570406937.db2.gz QTZJYQKPRYOMFX-UHFFFAOYSA-N 1 2 383.473 3.696 50 0 GHAALO O=C(c1cccc(F)c1)N1CCC[N@H+](Cn2c3ccccc3oc2=S)CC1 ZINC000026615898 570427520 /nfs/dbraw/zinc/42/75/20/570427520.db2.gz KMJBVVUMVURCON-UHFFFAOYSA-N 1 2 385.464 3.908 50 0 GHAALO O=C(c1cccc(F)c1)N1CCC[N@@H+](Cn2c3ccccc3oc2=S)CC1 ZINC000026615898 570427522 /nfs/dbraw/zinc/42/75/22/570427522.db2.gz KMJBVVUMVURCON-UHFFFAOYSA-N 1 2 385.464 3.908 50 0 GHAALO O=C(c1c2ccccc2nnc1-c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000032953073 570432086 /nfs/dbraw/zinc/43/20/86/570432086.db2.gz DKZWYIZAMGQJMK-UHFFFAOYSA-N 1 2 395.466 3.654 50 0 GHAALO CCCOc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)c1 ZINC000027581470 570436458 /nfs/dbraw/zinc/43/64/58/570436458.db2.gz ZUYMVMKHPALDGH-JOCHJYFZSA-N 1 2 382.504 3.587 50 0 GHAALO COc1cccc(C2(C(=O)N3CCC([N@H+](C)CC(F)F)CC3)CCCC2)c1 ZINC000072517683 570448996 /nfs/dbraw/zinc/44/89/96/570448996.db2.gz RJZRBENOQSUVOU-UHFFFAOYSA-N 1 2 380.479 3.695 50 0 GHAALO COc1cccc(C2(C(=O)N3CCC([N@@H+](C)CC(F)F)CC3)CCCC2)c1 ZINC000072517683 570448997 /nfs/dbraw/zinc/44/89/97/570448997.db2.gz RJZRBENOQSUVOU-UHFFFAOYSA-N 1 2 380.479 3.695 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCCc1cccc(Cl)c1)c1ccccc1F ZINC000029338252 570472099 /nfs/dbraw/zinc/47/20/99/570472099.db2.gz SLIGPQLCTLGTOV-SFHVURJKSA-N 1 2 386.858 3.844 50 0 GHAALO C[N@@H+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@H](c2ccccc2)C1 ZINC000030030587 570485839 /nfs/dbraw/zinc/48/58/39/570485839.db2.gz SKFLDVSBRUDEBW-FQEVSTJZSA-N 1 2 380.879 3.859 50 0 GHAALO C[N@H+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@H](c2ccccc2)C1 ZINC000030030587 570485842 /nfs/dbraw/zinc/48/58/42/570485842.db2.gz SKFLDVSBRUDEBW-FQEVSTJZSA-N 1 2 380.879 3.859 50 0 GHAALO COc1cccc(C[N@@H+](Cc2ccco2)C[C@H](O)COc2ccccc2)c1OC ZINC000036103590 570540268 /nfs/dbraw/zinc/54/02/68/570540268.db2.gz GBBNSBSWGVVLHN-IBGZPJMESA-N 1 2 397.471 3.739 50 0 GHAALO COc1cccc(C[N@H+](Cc2ccco2)C[C@H](O)COc2ccccc2)c1OC ZINC000036103590 570540269 /nfs/dbraw/zinc/54/02/69/570540269.db2.gz GBBNSBSWGVVLHN-IBGZPJMESA-N 1 2 397.471 3.739 50 0 GHAALO C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1=O ZINC000154146100 570542856 /nfs/dbraw/zinc/54/28/56/570542856.db2.gz SUPOJVNLPNFQIZ-VQIMIIECSA-N 1 2 388.471 3.635 50 0 GHAALO Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000225464458 570577114 /nfs/dbraw/zinc/57/71/14/570577114.db2.gz PFIIMFPIUQBACM-QGZVFWFLSA-N 1 2 391.475 3.724 50 0 GHAALO Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000225464458 570577118 /nfs/dbraw/zinc/57/71/18/570577118.db2.gz PFIIMFPIUQBACM-QGZVFWFLSA-N 1 2 391.475 3.724 50 0 GHAALO Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[NH+]3CCOCC3)cc1)CC(C)(C)O2 ZINC000044855271 570636521 /nfs/dbraw/zinc/63/65/21/570636521.db2.gz FUEXYXMLBPFOQC-OAQYLSRUSA-N 1 2 394.515 3.859 50 0 GHAALO CC(=O)c1cccc(NC(=S)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000055057240 570680594 /nfs/dbraw/zinc/68/05/94/570680594.db2.gz ZSWJSTDXUPHJGL-RMKNXTFCSA-N 1 2 379.529 3.917 50 0 GHAALO Cc1ccccc1N1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000055059000 570680674 /nfs/dbraw/zinc/68/06/74/570680674.db2.gz QIOWWXDVFBFVTB-UHFFFAOYSA-N 1 2 377.410 3.775 50 0 GHAALO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000025154028 570734699 /nfs/dbraw/zinc/73/46/99/570734699.db2.gz NKVDNKMWJRLVLH-AWEZNQCLSA-N 1 2 399.491 3.794 50 0 GHAALO O=C(Cn1cc[nH+]c1-c1ccnc(N2CCCC2)c1)NCc1ccc(Cl)cc1 ZINC000065220533 570734892 /nfs/dbraw/zinc/73/48/92/570734892.db2.gz UIGCNPKWVHCADP-UHFFFAOYSA-N 1 2 395.894 3.515 50 0 GHAALO C[C@@H](NC(=O)C[N@H+](C)Cc1csc(Br)c1)c1ccc(F)cc1 ZINC000060040776 570740512 /nfs/dbraw/zinc/74/05/12/570740512.db2.gz MAKVNSXZVBTQMU-LLVKDONJSA-N 1 2 385.302 3.959 50 0 GHAALO C[C@@H](NC(=O)C[N@@H+](C)Cc1csc(Br)c1)c1ccc(F)cc1 ZINC000060040776 570740513 /nfs/dbraw/zinc/74/05/13/570740513.db2.gz MAKVNSXZVBTQMU-LLVKDONJSA-N 1 2 385.302 3.959 50 0 GHAALO O=C(C[NH+]1CCN(c2nc3cc(Cl)ccc3s2)CC1)Nc1ccccc1 ZINC000063150930 570749797 /nfs/dbraw/zinc/74/97/97/570749797.db2.gz CMYKRHZIBGQVFE-UHFFFAOYSA-N 1 2 386.908 3.710 50 0 GHAALO Cc1nc(N2CCC(NC(=O)Cc3ccccc3Cl)CC2)c2c([nH+]1)CCCC2 ZINC000238852991 570807470 /nfs/dbraw/zinc/80/74/70/570807470.db2.gz JQWGEDZBFBQNMV-UHFFFAOYSA-N 1 2 398.938 3.645 50 0 GHAALO C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012507770 570823795 /nfs/dbraw/zinc/82/37/95/570823795.db2.gz MLBVTUHAACWSSX-OAHLLOKOSA-N 1 2 389.484 3.811 50 0 GHAALO Cc1ccc(-c2noc(C[N@@H+](C)Cc3ccccc3N3CCOCC3)n2)cc1 ZINC000012523035 570829208 /nfs/dbraw/zinc/82/92/08/570829208.db2.gz IFZOBOLWGSJXQG-UHFFFAOYSA-N 1 2 378.476 3.514 50 0 GHAALO Cc1ccc(-c2noc(C[N@H+](C)Cc3ccccc3N3CCOCC3)n2)cc1 ZINC000012523035 570829212 /nfs/dbraw/zinc/82/92/12/570829212.db2.gz IFZOBOLWGSJXQG-UHFFFAOYSA-N 1 2 378.476 3.514 50 0 GHAALO Cc1ccc(-c2noc(C[NH+]3CCN(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000032819981 570841604 /nfs/dbraw/zinc/84/16/04/570841604.db2.gz RDYPBACEQZDRBF-UHFFFAOYSA-N 1 2 391.500 3.977 50 0 GHAALO CC[N@H+](Cc1ccc(-n2nc(C)cc2C)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000032836152 570845895 /nfs/dbraw/zinc/84/58/95/570845895.db2.gz BBECYLMZDMIBAW-UHFFFAOYSA-N 1 2 387.487 3.748 50 0 GHAALO CC[N@@H+](Cc1ccc(-n2nc(C)cc2C)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000032836152 570845897 /nfs/dbraw/zinc/84/58/97/570845897.db2.gz BBECYLMZDMIBAW-UHFFFAOYSA-N 1 2 387.487 3.748 50 0 GHAALO COc1ccccc1[C@H](NC(=O)Cc1c(F)cccc1Cl)c1[nH+]ccn1C ZINC000012551313 570854890 /nfs/dbraw/zinc/85/48/90/570854890.db2.gz QQMOIKIQYFJSCW-IBGZPJMESA-N 1 2 387.842 3.670 50 0 GHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1OC ZINC000003403476 570864570 /nfs/dbraw/zinc/86/45/70/570864570.db2.gz OYCYVYRNOHKDGU-UHFFFAOYSA-N 1 2 396.846 3.575 50 0 GHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1OC ZINC000003403476 570864571 /nfs/dbraw/zinc/86/45/71/570864571.db2.gz OYCYVYRNOHKDGU-UHFFFAOYSA-N 1 2 396.846 3.575 50 0 GHAALO Cc1noc(C)c1CC(=O)NCC1CCC(c2[nH+]c3ccccc3n2C)CC1 ZINC000044225030 570871575 /nfs/dbraw/zinc/87/15/75/570871575.db2.gz KPPCYFCBIZQYPX-UHFFFAOYSA-N 1 2 380.492 3.811 50 0 GHAALO O=C(CCc1ccccc1)NC[C@H](c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000023106432 570905335 /nfs/dbraw/zinc/90/53/35/570905335.db2.gz ZMZHGQSHTSPHBN-XMMPIXPASA-N 1 2 388.511 3.962 50 0 GHAALO C[C@@H](NC(=O)Nc1ccc(Cl)cc1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182625 570941547 /nfs/dbraw/zinc/94/15/47/570941547.db2.gz RXORUYSBLFGGNO-DYVFJYSZSA-N 1 2 379.913 3.985 50 0 GHAALO C[C@H]1CN(c2ccc(CNC(=O)CCc3ccccc3Cl)c[nH+]2)C[C@H](C)O1 ZINC000032930464 570943971 /nfs/dbraw/zinc/94/39/71/570943971.db2.gz FMKSEMAJMAUTSI-HOTGVXAUSA-N 1 2 387.911 3.598 50 0 GHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)N[C@H](C)c3cccs3)C2)nc[nH+]1 ZINC000106482797 570964181 /nfs/dbraw/zinc/96/41/81/570964181.db2.gz ZFGZKIUTWPIBDL-CVEARBPZSA-N 1 2 387.553 3.844 50 0 GHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)N[C@H](C)c3cccs3)C2)[nH+]cn1 ZINC000106482797 570964182 /nfs/dbraw/zinc/96/41/82/570964182.db2.gz ZFGZKIUTWPIBDL-CVEARBPZSA-N 1 2 387.553 3.844 50 0 GHAALO O=C(NCc1ccccc1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000034684734 570986781 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Cc1noc(C[NH+]2CCC3(C[C@@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)n1 ZINC000069668213 856966328 /nfs/dbraw/zinc/96/63/28/856966328.db2.gz ZNGMKMVZSKCYMV-OAHLLOKOSA-N 1 2 385.855 3.851 50 0 GHAALO CC(C)NC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000069870638 857110319 /nfs/dbraw/zinc/11/03/19/857110319.db2.gz NWDJKEOWVGJAOJ-GOSISDBHSA-N 1 2 389.544 3.522 50 0 GHAALO COc1ccc(C[N@H+](C)Cc2nc(Cc3cccc(F)c3)no2)c2cccnc12 ZINC000011844093 857580310 /nfs/dbraw/zinc/58/03/10/857580310.db2.gz JBNWRZAPHBAVBQ-UHFFFAOYSA-N 1 2 392.434 3.988 50 0 GHAALO COc1ccc(C[N@@H+](C)Cc2nc(Cc3cccc(F)c3)no2)c2cccnc12 ZINC000011844093 857580319 /nfs/dbraw/zinc/58/03/19/857580319.db2.gz JBNWRZAPHBAVBQ-UHFFFAOYSA-N 1 2 392.434 3.988 50 0 GHAALO O=C(c1cccc2[nH+]ccn21)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000095993281 860737198 /nfs/dbraw/zinc/73/71/98/860737198.db2.gz DTUOIAZCIDFWMZ-INIZCTEOSA-N 1 2 378.480 3.520 50 0 GHAALO CCN1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000022460120 861126390 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381.495 3.684 50 0 GHAALO C[N@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H](C(=O)NC(N)=O)c1ccccc1 ZINC000023872987 570374531 /nfs/dbraw/zinc/37/45/31/570374531.db2.gz IHMGRBGXYOLRAI-IBGZPJMESA-N 1 2 397.862 3.968 50 0 GHAALO C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)[C@H](C(=O)NC(N)=O)c1ccccc1 ZINC000023872987 570374533 /nfs/dbraw/zinc/37/45/33/570374533.db2.gz IHMGRBGXYOLRAI-IBGZPJMESA-N 1 2 397.862 3.968 50 0 GHAALO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cn2nc(C3CC3)n(C3CC3)c2=S)C1 ZINC000028816936 570464802 /nfs/dbraw/zinc/46/48/02/570464802.db2.gz VUWNXPVVUSKBTR-MRXNPFEDSA-N 1 2 397.548 3.935 50 0 GHAALO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cn2nc(C3CC3)n(C3CC3)c2=S)C1 ZINC000028816936 570464809 /nfs/dbraw/zinc/46/48/09/570464809.db2.gz VUWNXPVVUSKBTR-MRXNPFEDSA-N 1 2 397.548 3.935 50 0 GHAALO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2cnc(Br)s2)CC1 ZINC000253427075 570483346 /nfs/dbraw/zinc/48/33/46/570483346.db2.gz CVXUNVLOJWCZOZ-UHFFFAOYSA-N 1 2 398.301 3.895 50 0 GHAALO Cc1cc(NC(=O)C2CC2)sc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 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Cc1ccc(N2CC[N@H+](Cc3nc(COc4ccccc4)no3)[C@H](C)C2)cc1 ZINC000055199631 570686928 /nfs/dbraw/zinc/68/69/28/570686928.db2.gz OMYVPACMLGHSSW-GOSISDBHSA-N 1 2 378.476 3.668 50 0 GHAALO Cc1ccc(N2CC[N@@H+](Cc3nc(COc4ccccc4)no3)[C@H](C)C2)cc1 ZINC000055199631 570686931 /nfs/dbraw/zinc/68/69/31/570686931.db2.gz OMYVPACMLGHSSW-GOSISDBHSA-N 1 2 378.476 3.668 50 0 GHAALO CC(C)c1[nH+]c2ccccc2n1CC(=O)NCc1cc(-c2cccnc2)no1 ZINC000244701092 570694593 /nfs/dbraw/zinc/69/45/93/570694593.db2.gz KABKGBJFKLPCOX-UHFFFAOYSA-N 1 2 375.432 3.526 50 0 GHAALO CCSc1nc(CC(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)cs1 ZINC000055575436 570697945 /nfs/dbraw/zinc/69/79/45/570697945.db2.gz BNVPUFPZHSRBPI-UHFFFAOYSA-N 1 2 386.546 3.701 50 0 GHAALO O=C(C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1)N1CCc2sccc2C1 ZINC000057991773 570705412 /nfs/dbraw/zinc/70/54/12/570705412.db2.gz GMARUQHYELRWFL-JOCHJYFZSA-N 1 2 377.513 3.540 50 0 GHAALO O=C(C[N@H+]1CCn2cccc2[C@H]1c1ccccc1)N1CCc2sccc2C1 ZINC000057991773 570705415 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O=C(NC[C@@H](c1ccco1)[NH+]1CCSCC1)c1ccc(C(F)(F)F)cc1 ZINC000253409146 209219957 /nfs/dbraw/zinc/21/99/57/209219957.db2.gz ZOAYPHTYGVLSEN-HNNXBMFYSA-N 1 2 384.423 3.818 50 0 GHAALO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)CCN3C(=O)c4ccccc4C3=O)c2c1 ZINC000012421886 211683315 /nfs/dbraw/zinc/68/33/15/211683315.db2.gz KUIXWPQSYHKUTB-UHFFFAOYSA-N 1 2 387.439 3.785 50 0 GHAALO C[C@H](C(=O)NCc1ccccc1Cl)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096923302 211351014 /nfs/dbraw/zinc/35/10/14/211351014.db2.gz DEWSNZJEPXQEKX-JNLAIUADSA-N 1 2 397.950 3.676 50 0 GHAALO C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000096923302 211351019 /nfs/dbraw/zinc/35/10/19/211351019.db2.gz DEWSNZJEPXQEKX-JNLAIUADSA-N 1 2 397.950 3.676 50 0 GHAALO Cc1noc2nc(C(C)C)cc(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)c12 ZINC000097087433 211357744 /nfs/dbraw/zinc/35/77/44/211357744.db2.gz NXTWBAKHOOEUKD-UHFFFAOYSA-N 1 2 383.839 3.886 50 0 GHAALO Cn1cc([C@@H](CC(=O)NCC[NH+]2CCOCC2)C2CCCCC2)c2ccccc21 ZINC000096276901 211330004 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COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4nc(CC(F)(F)F)no4)CC3)c2c1 ZINC000095405115 211238834 /nfs/dbraw/zinc/23/88/34/211238834.db2.gz WKYWHYGIGQARQS-UHFFFAOYSA-N 1 2 392.381 3.954 50 0 GHAALO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1coc(-c2ccc(OC)cc2)n1)c1ccccc1 ZINC000079025908 211153494 /nfs/dbraw/zinc/15/34/94/211153494.db2.gz DLCMCPUVISGIKZ-MGPUTAFESA-N 1 2 380.444 3.990 50 0 GHAALO CC[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(OC)c(C)c1 ZINC000072437280 211121061 /nfs/dbraw/zinc/12/10/61/211121061.db2.gz ZWEDOYNCDMHEIK-NRFANRHFSA-N 1 2 382.504 3.717 50 0 GHAALO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNc1cc(C(C)C)[nH+]c(C)n1 ZINC000071746677 211053740 /nfs/dbraw/zinc/05/37/40/211053740.db2.gz UDRLOQPQTTZWDZ-UHFFFAOYSA-N 1 2 395.507 3.823 50 0 GHAALO C[C@@H](C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1)n1cc[nH+]c1 ZINC000067965154 211031338 /nfs/dbraw/zinc/03/13/38/211031338.db2.gz PDOOGUCTPQPTMQ-AWEZNQCLSA-N 1 2 397.862 3.891 50 0 GHAALO CC[C@@H](C)NC(=O)C[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067786310 211020861 /nfs/dbraw/zinc/02/08/61/211020861.db2.gz SJTNGDDFBVFHTC-CQSZACIVSA-N 1 2 388.895 3.822 50 0 GHAALO CC[C@@H](C)NC(=O)C[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067786310 211020866 /nfs/dbraw/zinc/02/08/66/211020866.db2.gz SJTNGDDFBVFHTC-CQSZACIVSA-N 1 2 388.895 3.822 50 0 GHAALO CCc1[nH]c(C)c(-c2c(-c3ccccc3)ncn2CCOc2nonc2C)[nH+]1 ZINC000067649103 211014597 /nfs/dbraw/zinc/01/45/97/211014597.db2.gz AKCIEYOLISVRNY-UHFFFAOYSA-N 1 2 378.436 3.581 50 0 GHAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2ccc(-n3cccc3)cc2)cc1 ZINC000023865107 210455753 /nfs/dbraw/zinc/45/57/53/210455753.db2.gz RPBLUXIXEYRGCM-HSZRJFAPSA-N 1 2 389.499 3.589 50 0 GHAALO CCOC(CSc1nc(SC)nc2sc3c(c21)CC[N@H+](C)C3)OCC ZINC000020391686 210331229 /nfs/dbraw/zinc/33/12/29/210331229.db2.gz WPSOKTPICDJXKX-UHFFFAOYSA-N 1 2 399.607 3.892 50 0 GHAALO CCOC(CSc1nc(SC)nc2sc3c(c21)CC[N@@H+](C)C3)OCC ZINC000020391686 210331234 /nfs/dbraw/zinc/33/12/34/210331234.db2.gz WPSOKTPICDJXKX-UHFFFAOYSA-N 1 2 399.607 3.892 50 0 GHAALO CC(C)c1[nH+]c2ccccc2n1CC(=O)N1CCC([C@@H](O)c2ccccn2)CC1 ZINC000019795095 210297732 /nfs/dbraw/zinc/29/77/32/210297732.db2.gz OGNAIYFDCNJNFP-JOCHJYFZSA-N 1 2 392.503 3.527 50 0 GHAALO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000019742355 210290438 /nfs/dbraw/zinc/29/04/38/210290438.db2.gz FICUDAPTXLKOJW-UHFFFAOYSA-N 1 2 391.515 3.961 50 0 GHAALO O[C@@H](c1cccnc1)c1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1F)CCO2 ZINC000012184527 221163827 /nfs/dbraw/zinc/16/38/27/221163827.db2.gz MYLPBAMJTGINMW-JOCHJYFZSA-N 1 2 382.410 3.836 50 0 GHAALO O[C@@H](c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1cccc(F)c1F)CCO2 ZINC000012184527 221163829 /nfs/dbraw/zinc/16/38/29/221163829.db2.gz MYLPBAMJTGINMW-JOCHJYFZSA-N 1 2 382.410 3.836 50 0 GHAALO O=C(CCc1cc[nH+]c(N2CCCC2)c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000065269613 136162233 /nfs/dbraw/zinc/16/22/33/136162233.db2.gz WUGUZODLIQCXTP-UHFFFAOYSA-N 1 2 398.938 3.617 50 0 GHAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1ccc(-c2ccccc2)cc1 ZINC000069568407 136165205 /nfs/dbraw/zinc/16/52/05/136165205.db2.gz PDKUIOCMCQDBGM-UHFFFAOYSA-N 1 2 388.471 3.907 50 0 GHAALO Cc1cccc(N2C[C@@H](C)[N@@H+](Cc3c[nH]nc3-c3cccc(F)c3)CC2=O)c1 ZINC000082098746 136173551 /nfs/dbraw/zinc/17/35/51/136173551.db2.gz KYWLALROEVSBLI-MRXNPFEDSA-N 1 2 378.451 3.762 50 0 GHAALO Cc1cccc(N2C[C@@H](C)[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)CC2=O)c1 ZINC000082098746 136173552 /nfs/dbraw/zinc/17/35/52/136173552.db2.gz KYWLALROEVSBLI-MRXNPFEDSA-N 1 2 378.451 3.762 50 0 GHAALO O=C(NCC[C@H]1CCOC1)c1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000426374448 534432844 /nfs/dbraw/zinc/43/28/44/534432844.db2.gz XXVQHVYNHSTOFJ-IBGZPJMESA-N 1 2 375.472 3.755 50 0 GHAALO CC(C)Cc1[nH+]c2ccccc2n1[C@H](C)C(=O)N1CCC(c2ncon2)CC1 ZINC000426370491 528667048 /nfs/dbraw/zinc/66/70/48/528667048.db2.gz LPFCQSDUGFMESR-OAHLLOKOSA-N 1 2 381.480 3.585 50 0 GHAALO CCCc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)nc(C)n1 ZINC000095521033 535398358 /nfs/dbraw/zinc/39/83/58/535398358.db2.gz NAXRBDHEJQICOW-GOSISDBHSA-N 1 2 376.508 3.761 50 0 GHAALO COc1ccccc1[C@H](C)[N@H+](C)CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000048365528 570245525 /nfs/dbraw/zinc/24/55/25/570245525.db2.gz DNZXLRCLJDBEKP-IBGZPJMESA-N 1 2 396.531 3.553 50 0 GHAALO COc1ccccc1[C@H](C)[N@@H+](C)CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000048365528 570245527 /nfs/dbraw/zinc/24/55/27/570245527.db2.gz DNZXLRCLJDBEKP-IBGZPJMESA-N 1 2 396.531 3.553 50 0 GHAALO C[C@H]1CCCN(c2ccc(-c3noc(C[N@@H+]4CCc5ccccc5C4)n3)cn2)C1 ZINC000049409630 570265917 /nfs/dbraw/zinc/26/59/17/570265917.db2.gz UPZONZQIUNKWST-KRWDZBQOSA-N 1 2 389.503 3.926 50 0 GHAALO C[C@H]1CCCN(c2ccc(-c3noc(C[N@H+]4CCc5ccccc5C4)n3)cn2)C1 ZINC000049409630 570265921 /nfs/dbraw/zinc/26/59/21/570265921.db2.gz UPZONZQIUNKWST-KRWDZBQOSA-N 1 2 389.503 3.926 50 0 GHAALO COc1cc(C[N@H+](CC(=O)Nc2ccccc2)C2CC2)ccc1OC(F)F ZINC000014014507 570280873 /nfs/dbraw/zinc/28/08/73/570280873.db2.gz YQZWZZGSJBRALV-UHFFFAOYSA-N 1 2 376.403 3.900 50 0 GHAALO COc1cc(C[N@@H+](CC(=O)Nc2ccccc2)C2CC2)ccc1OC(F)F ZINC000014014507 570280875 /nfs/dbraw/zinc/28/08/75/570280875.db2.gz YQZWZZGSJBRALV-UHFFFAOYSA-N 1 2 376.403 3.900 50 0 GHAALO COc1ccc([C@@H](CNC(=S)Nc2cc(C)ccc2C)[NH+]2CCOCC2)cc1 ZINC000021194019 570293248 /nfs/dbraw/zinc/29/32/48/570293248.db2.gz PQIFBAQHHVZNLD-OAQYLSRUSA-N 1 2 399.560 3.672 50 0 GHAALO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000012921527 570294518 /nfs/dbraw/zinc/29/45/18/570294518.db2.gz OSVROKIUDTWEAA-UHFFFAOYSA-N 1 2 395.906 3.532 50 0 GHAALO C[C@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccc2c(c1)CCCC2 ZINC000026388687 570326404 /nfs/dbraw/zinc/32/64/04/570326404.db2.gz RBZARPMWMKZJFG-INIZCTEOSA-N 1 2 375.476 3.707 50 0 GHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000022876981 570332604 /nfs/dbraw/zinc/33/26/04/570332604.db2.gz QJRRHQADTWQUAQ-ZDUSSCGKSA-N 1 2 388.924 3.517 50 0 GHAALO O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000033530868 570370274 /nfs/dbraw/zinc/37/02/74/570370274.db2.gz YEEZOWFXPOURKR-XMMPIXPASA-N 1 2 387.483 3.517 50 0 GHAALO O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000033530868 570370275 /nfs/dbraw/zinc/37/02/75/570370275.db2.gz YEEZOWFXPOURKR-XMMPIXPASA-N 1 2 387.483 3.517 50 0 GHAALO CCOc1ccc(OCc2ccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)cc2)cc1 ZINC000008324332 570374703 /nfs/dbraw/zinc/37/47/03/570374703.db2.gz GIRPSPSIAOVFMR-UHFFFAOYSA-N 1 2 386.415 3.645 50 0 GHAALO CC(=O)c1sc(=Nc2cccc(C)c2C)n(CCC[NH+]2CCOCC2)c1C ZINC000004940154 570376346 /nfs/dbraw/zinc/37/63/46/570376346.db2.gz RHGNUOSMDRTOPZ-DQRAZIAOSA-N 1 2 387.549 3.632 50 0 GHAALO COc1cccc(CNC(=O)c2ccc(Cn3c(C)[nH+]c4ccccc43)o2)c1 ZINC000035597057 570399561 /nfs/dbraw/zinc/39/95/61/570399561.db2.gz BEBBYGJMQQQHAZ-UHFFFAOYSA-N 1 2 375.428 3.925 50 0 GHAALO COc1ccccc1[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1[nH+]ccn1C ZINC000025053174 570404327 /nfs/dbraw/zinc/40/43/27/570404327.db2.gz SNQDTMNECPOBFA-KUHUBIRLSA-N 1 2 399.878 3.755 50 0 GHAALO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000025454332 570414101 /nfs/dbraw/zinc/41/41/01/570414101.db2.gz LXJJGSBJQLOZLM-MRXNPFEDSA-N 1 2 380.517 3.512 50 0 GHAALO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000025454332 570414102 /nfs/dbraw/zinc/41/41/02/570414102.db2.gz LXJJGSBJQLOZLM-MRXNPFEDSA-N 1 2 380.517 3.512 50 0 GHAALO COc1cccc([C@H]2C[C@](C)([NH+]3CCCC3)Oc3cc4c(cc32)OCO4)c1O ZINC000025540837 570415610 /nfs/dbraw/zinc/41/56/10/570415610.db2.gz CRSJWEZUGYNWDK-OPAMFIHVSA-N 1 2 383.444 3.856 50 0 GHAALO Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000025665872 570417740 /nfs/dbraw/zinc/41/77/40/570417740.db2.gz LMHZUITWMSNHAL-UHFFFAOYSA-N 1 2 385.471 3.664 50 0 GHAALO COc1ccc(-c2nnc(SC[C@H]3C[N@H+](Cc4ccccc4)CCO3)o2)cc1 ZINC000025747100 570418853 /nfs/dbraw/zinc/41/88/53/570418853.db2.gz RSRQELDBFXGXMC-LJQANCHMSA-N 1 2 397.500 3.738 50 0 GHAALO COc1ccc(-c2nnc(SC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)o2)cc1 ZINC000025747100 570418855 /nfs/dbraw/zinc/41/88/55/570418855.db2.gz RSRQELDBFXGXMC-LJQANCHMSA-N 1 2 397.500 3.738 50 0 GHAALO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000005118862 570420127 /nfs/dbraw/zinc/42/01/27/570420127.db2.gz DNRIDEVNQBAYAR-TZMCWYRMSA-N 1 2 378.831 3.578 50 0 GHAALO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000005118862 570420131 /nfs/dbraw/zinc/42/01/31/570420131.db2.gz DNRIDEVNQBAYAR-TZMCWYRMSA-N 1 2 378.831 3.578 50 0 GHAALO COC(=O)C[C@H](CC(C)C)c1oc(C[N@@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524730167 570420633 /nfs/dbraw/zinc/42/06/33/570420633.db2.gz YCGOAOCXCPLQEY-SFHVURJKSA-N 1 2 399.487 3.597 50 0 biogenic GHAALO COC(=O)C[C@H](CC(C)C)c1oc(C[N@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524730167 570420634 /nfs/dbraw/zinc/42/06/34/570420634.db2.gz YCGOAOCXCPLQEY-SFHVURJKSA-N 1 2 399.487 3.597 50 0 biogenic GHAALO COc1ccc(C[NH+]2CCN(Cc3cc(F)cc4cccnc43)CC2)cc1F ZINC000025925841 570420830 /nfs/dbraw/zinc/42/08/30/570420830.db2.gz WMGMDCJEDRRRSF-UHFFFAOYSA-N 1 2 383.442 3.839 50 0 GHAALO COc1ccc(C[N@H+](Cc2ccc(SC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027651505 570437936 /nfs/dbraw/zinc/43/79/36/570437936.db2.gz SAYOMSOGCIRLSF-GOSISDBHSA-N 1 2 391.558 3.606 50 0 GHAALO COc1ccc(C[N@@H+](Cc2ccc(SC)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000027651505 570437941 /nfs/dbraw/zinc/43/79/41/570437941.db2.gz SAYOMSOGCIRLSF-GOSISDBHSA-N 1 2 391.558 3.606 50 0 GHAALO CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000030512853 570490026 /nfs/dbraw/zinc/49/00/26/570490026.db2.gz HPNRLHFIOAORJB-UHFFFAOYSA-N 1 2 396.878 3.935 50 0 GHAALO COc1ccc2c(c1)c(C(=O)C[NH+]1CCN(c3ccccc3)CC1)c(C)n2C ZINC000036003866 570508703 /nfs/dbraw/zinc/50/87/03/570508703.db2.gz JBDYXBKYNGMZKD-UHFFFAOYSA-N 1 2 377.488 3.500 50 0 GHAALO CC[C@@H](C)N1C(=O)[C@@H](C(C)C)[NH2+]C12CCN(C(=O)c1ccc(Cl)cc1)CC2 ZINC000036019939 570513405 /nfs/dbraw/zinc/51/34/05/570513405.db2.gz ODHUZHFMMOWRFE-CRAIPNDOSA-N 1 2 391.943 3.527 50 0 GHAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3cccc(OC)c3)c2C1 ZINC000032990833 570576405 /nfs/dbraw/zinc/57/64/05/570576405.db2.gz DKPRHBIVXPVFAE-UHFFFAOYSA-N 1 2 375.472 3.551 50 0 GHAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3cccc(OC)c3)c2C1 ZINC000032990833 570576409 /nfs/dbraw/zinc/57/64/09/570576409.db2.gz DKPRHBIVXPVFAE-UHFFFAOYSA-N 1 2 375.472 3.551 50 0 GHAALO COc1ccc(C)cc1-n1nnnc1SCc1cn2cc(Cl)ccc2[nH+]1 ZINC000002659306 570593751 /nfs/dbraw/zinc/59/37/51/570593751.db2.gz QXZVRTWOFQTMLZ-UHFFFAOYSA-N 1 2 386.868 3.573 50 0 GHAALO O=C(CCCc1nc2ccccc2s1)OCc1ccnc(-n2cc[nH+]c2)c1 ZINC000072314155 570653738 /nfs/dbraw/zinc/65/37/38/570653738.db2.gz YZBOBFYECQFXIG-UHFFFAOYSA-N 1 2 378.457 3.943 50 0 GHAALO CCc1ccc(CNC(=O)C2CCN(c3[nH+]cccc3-n3cccc3)CC2)cc1 ZINC000033034649 570671002 /nfs/dbraw/zinc/67/10/02/570671002.db2.gz SDIZITVYEXZZQK-UHFFFAOYSA-N 1 2 388.515 3.968 50 0 GHAALO FC(F)(F)c1nc2nc[nH]c2c(NCc2ccc(N3CCCCCC3)[nH+]c2)n1 ZINC000241965501 570688107 /nfs/dbraw/zinc/68/81/07/570688107.db2.gz UTIPWICUVPQHAM-UHFFFAOYSA-N 1 2 391.401 3.759 50 0 GHAALO Clc1cc2c(cc1C[N@H+](CCCn1ccnc1)Cc1cccnc1)OCO2 ZINC000055393283 570694419 /nfs/dbraw/zinc/69/44/19/570694419.db2.gz VINHGMRDNQKKDP-UHFFFAOYSA-N 1 2 384.867 3.753 50 0 GHAALO Clc1cc2c(cc1C[N@@H+](CCCn1ccnc1)Cc1cccnc1)OCO2 ZINC000055393283 570694420 /nfs/dbraw/zinc/69/44/20/570694420.db2.gz VINHGMRDNQKKDP-UHFFFAOYSA-N 1 2 384.867 3.753 50 0 GHAALO Clc1cc2c(cc1CN(CCCn1cc[nH+]c1)Cc1cccnc1)OCO2 ZINC000055393283 570694421 /nfs/dbraw/zinc/69/44/21/570694421.db2.gz VINHGMRDNQKKDP-UHFFFAOYSA-N 1 2 384.867 3.753 50 0 GHAALO COc1cc(NC(=S)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc(OC)c1 ZINC000096453932 570745994 /nfs/dbraw/zinc/74/59/94/570745994.db2.gz JAFQAOSQKDLMQS-TWGQIWQCSA-N 1 2 397.544 3.732 50 0 GHAALO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050249 570764736 /nfs/dbraw/zinc/76/47/36/570764736.db2.gz FKKGDSCLJNDTJE-ZDUSSCGKSA-N 1 2 395.406 3.931 50 0 GHAALO C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050195 570764830 /nfs/dbraw/zinc/76/48/30/570764830.db2.gz GGHSJOHATDJJRN-ZDUSSCGKSA-N 1 2 395.406 3.931 50 0 GHAALO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cccc(C(=O)Nc3cccnc3)c2)n1 ZINC000065460465 570769584 /nfs/dbraw/zinc/76/95/84/570769584.db2.gz ZFYZGWDKAKWZLQ-IBGZPJMESA-N 1 2 377.448 3.753 50 0 GHAALO Cc1noc([C@@H]2CCCC[N@H+]2Cc2cccc(C(=O)Nc3cccnc3)c2)n1 ZINC000065460465 570769590 /nfs/dbraw/zinc/76/95/90/570769590.db2.gz ZFYZGWDKAKWZLQ-IBGZPJMESA-N 1 2 377.448 3.753 50 0 GHAALO C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031475 570778193 /nfs/dbraw/zinc/77/81/93/570778193.db2.gz LJIDKAQCRUFBLE-OXJNMPFZSA-N 1 2 386.927 3.839 50 0 GHAALO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1nc2ccccc2o1 ZINC000032751386 570791718 /nfs/dbraw/zinc/79/17/18/570791718.db2.gz IVUITJDOOZOLJM-QGZVFWFLSA-N 1 2 396.443 3.508 50 0 GHAALO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1nc2ccccc2o1 ZINC000032751386 570791723 /nfs/dbraw/zinc/79/17/23/570791723.db2.gz IVUITJDOOZOLJM-QGZVFWFLSA-N 1 2 396.443 3.508 50 0 GHAALO O=C(NCCc1cccs1)[C@@H]1CCCN(c2[nH]c3ccc(Cl)cc3[nH+]2)C1 ZINC000033071605 570802866 /nfs/dbraw/zinc/80/28/66/570802866.db2.gz GLGUZKDVQVWSGO-CYBMUJFWSA-N 1 2 388.924 3.853 50 0 GHAALO O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000033071677 570802899 /nfs/dbraw/zinc/80/28/99/570802899.db2.gz NTQSQXHBZYOGPJ-INIZCTEOSA-N 1 2 382.895 3.792 50 0 GHAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000033106457 570811173 /nfs/dbraw/zinc/81/11/73/570811173.db2.gz IZNFTDJKTLGLJR-UHFFFAOYSA-N 1 2 381.455 3.858 50 0 GHAALO COc1cc(OC)cc([C@H](NC(=O)Nc2ccc(C)cc2)c2[nH+]ccn2C)c1 ZINC000012507642 570823768 /nfs/dbraw/zinc/82/37/68/570823768.db2.gz XHXGJASKKBJIGI-IBGZPJMESA-N 1 2 380.448 3.657 50 0 GHAALO O=C(NCCCn1cc[nH+]c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000004005365 570863462 /nfs/dbraw/zinc/86/34/62/570863462.db2.gz YWHQYJNDMHIWAA-UHFFFAOYSA-N 1 2 389.434 3.695 50 0 GHAALO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000170609347 570865544 /nfs/dbraw/zinc/86/55/44/570865544.db2.gz DPQHKOBFPUMDRC-QZTJIDSGSA-N 1 2 385.464 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ZINC000007719579 571020481 /nfs/dbraw/zinc/02/04/81/571020481.db2.gz WMYPJIDTEUEOKA-SFHVURJKSA-N 1 2 376.403 3.758 50 0 GHAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)c(F)c2)c(OC)c1 ZINC000007719579 571020484 /nfs/dbraw/zinc/02/04/84/571020484.db2.gz WMYPJIDTEUEOKA-SFHVURJKSA-N 1 2 376.403 3.758 50 0 GHAALO COc1ccccc1NC(=O)Cc1noc(C[N@@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000046088142 571022363 /nfs/dbraw/zinc/02/23/63/571022363.db2.gz JGVSNPMZHIQGLN-MRXNPFEDSA-N 1 2 398.488 3.658 50 0 GHAALO COc1ccccc1NC(=O)Cc1noc(C[N@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000046088142 571022366 /nfs/dbraw/zinc/02/23/66/571022366.db2.gz JGVSNPMZHIQGLN-MRXNPFEDSA-N 1 2 398.488 3.658 50 0 GHAALO CCCn1c(C)c[nH+]c1C1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000257190768 838948431 /nfs/dbraw/zinc/94/84/31/838948431.db2.gz OZHYKPMRAOBSQX-UHFFFAOYSA-N 1 2 388.320 3.696 50 0 GHAALO Fc1ccc(Cl)cc1C[NH+]1CCC(F)(c2nc(-c3cnccn3)no2)CC1 ZINC000257196631 839006320 /nfs/dbraw/zinc/00/63/20/839006320.db2.gz YOTNWRIUDBNSKM-UHFFFAOYSA-N 1 2 391.809 3.780 50 0 GHAALO Cc1nn(C)c(Oc2cccnc2)c1C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000128529402 840286743 /nfs/dbraw/zinc/28/67/43/840286743.db2.gz HBQHJEAWRVEEGB-UHFFFAOYSA-N 1 2 391.519 3.855 50 0 GHAALO Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000056945381 861847141 /nfs/dbraw/zinc/84/71/41/861847141.db2.gz XNHCFNXPXFDQNG-QFIPXVFZSA-N 1 2 389.499 3.881 50 0 GHAALO Cc1cc(C)c(NC(=O)CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c(C)c1 ZINC000253419448 855094485 /nfs/dbraw/zinc/09/44/85/855094485.db2.gz UGWSHGMQFKXBBQ-LJQANCHMSA-N 1 2 390.487 3.612 50 0 GHAALO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc2ccccc2s1 ZINC000031824870 862708695 /nfs/dbraw/zinc/70/86/95/862708695.db2.gz UFWGZBVXMONKAK-UHFFFAOYSA-N 1 2 383.492 3.592 50 0 GHAALO O=c1cc(C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)nc2sccn21 ZINC000008323791 856116744 /nfs/dbraw/zinc/11/67/44/856116744.db2.gz ZJCOLABKGSAXCJ-LJQANCHMSA-N 1 2 379.510 3.965 50 0 GHAALO O=c1cc(C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)nc2sccn21 ZINC000008323791 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3.697 50 0 GHAALO FC(F)(F)c1cccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)n1 ZINC000295831920 860424691 /nfs/dbraw/zinc/42/46/91/860424691.db2.gz HHRZXFXHIFMDQZ-HNNXBMFYSA-N 1 2 390.365 3.724 50 0 GHAALO FC(F)(F)c1cccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)n1 ZINC000295831920 860424696 /nfs/dbraw/zinc/42/46/96/860424696.db2.gz HHRZXFXHIFMDQZ-HNNXBMFYSA-N 1 2 390.365 3.724 50 0 GHAALO Cc1c[nH+]c([C@H]2CCN(C(=O)COc3ccc(F)cc3)C2)n1Cc1ccccc1 ZINC000575317560 865991518 /nfs/dbraw/zinc/99/15/18/865991518.db2.gz NQFQRAONTDYSII-IBGZPJMESA-N 1 2 393.462 3.774 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000581805557 870027132 /nfs/dbraw/zinc/02/71/32/870027132.db2.gz CFCLFSZSXYUDKL-IBGZPJMESA-N 1 2 381.501 3.884 50 0 GHAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1cc(Cl)ccc1F ZINC000022773585 872305463 /nfs/dbraw/zinc/30/54/63/872305463.db2.gz RPEXYHUEJNPERG-QPJJXVBHSA-N 1 2 387.886 3.749 50 0 GHAALO Cc1nc(C)c(-c2ccc(C(=O)N3CC[NH+](Cc4ccco4)CC3)cc2)s1 ZINC000426376288 231209313 /nfs/dbraw/zinc/20/93/13/231209313.db2.gz GAAICOYIVYBKNO-UHFFFAOYSA-N 1 2 381.501 3.978 50 0 GHAALO CCc1cccc2c(C(C)=O)cn(CC(=O)NCc3cn4cccc(C)c4[nH+]3)c21 ZINC000426544796 529548700 /nfs/dbraw/zinc/54/87/00/529548700.db2.gz MXVOZUOBJUCGOM-UHFFFAOYSA-N 1 2 388.471 3.679 50 0 GHAALO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000018127660 210215282 /nfs/dbraw/zinc/21/52/82/210215282.db2.gz DWHOKXPEZHFKMN-QKLQHJQFSA-N 1 2 378.497 3.604 50 0 GHAALO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000018127660 210215286 /nfs/dbraw/zinc/21/52/86/210215286.db2.gz DWHOKXPEZHFKMN-QKLQHJQFSA-N 1 2 378.497 3.604 50 0 GHAALO Cc1ccc(N2CC[N@@H+](CC(=O)Nc3nc4ccccc4s3)C[C@H]2C)cc1 ZINC000017077827 210202407 /nfs/dbraw/zinc/20/24/07/210202407.db2.gz OBSSLVSPCGTHTG-MRXNPFEDSA-N 1 2 380.517 3.754 50 0 GHAALO Cc1ccc(N2CC[N@H+](CC(=O)Nc3nc4ccccc4s3)C[C@H]2C)cc1 ZINC000017077827 210202408 /nfs/dbraw/zinc/20/24/08/210202408.db2.gz OBSSLVSPCGTHTG-MRXNPFEDSA-N 1 2 380.517 3.754 50 0 GHAALO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(cc1Br)OCCO2 ZINC000015369982 210156577 /nfs/dbraw/zinc/15/65/77/210156577.db2.gz OOYMJBKETOTDDG-UHFFFAOYSA-N 1 2 392.249 3.581 50 0 GHAALO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(cc1Br)OCCO2 ZINC000015369982 210156586 /nfs/dbraw/zinc/15/65/86/210156586.db2.gz OOYMJBKETOTDDG-UHFFFAOYSA-N 1 2 392.249 3.581 50 0 GHAALO Cc1c(C(=O)N2CC[NH+](C)CC2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000014983241 210141315 /nfs/dbraw/zinc/14/13/15/210141315.db2.gz OBSCJRVJFBCJLL-UHFFFAOYSA-N 1 2 399.564 3.690 50 0 GHAALO C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000014398462 210116319 /nfs/dbraw/zinc/11/63/19/210116319.db2.gz NNFOKHJMLXPYSD-KRZKXXONSA-N 1 2 384.907 3.965 50 0 GHAALO O=C(C[NH+](Cc1cccs1)Cc1cccs1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000014241892 210112310 /nfs/dbraw/zinc/11/23/10/210112310.db2.gz XBTIAIBFFPCALH-UHFFFAOYSA-N 1 2 398.513 3.620 50 0 GHAALO CCn1cc[nH+]c1CN(C)Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000013594760 210070260 /nfs/dbraw/zinc/07/02/60/210070260.db2.gz VDPFGWDRSLAQKN-UHFFFAOYSA-N 1 2 379.386 3.528 50 0 GHAALO Cc1ccc(CCC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)cc1Cl ZINC000013013091 210046785 /nfs/dbraw/zinc/04/67/85/210046785.db2.gz LOLYNCABFYSUDX-GOSISDBHSA-N 1 2 392.952 3.832 50 0 GHAALO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc(Cl)cc1F ZINC000012979003 210037989 /nfs/dbraw/zinc/03/79/89/210037989.db2.gz SNDPSRQNXXBGFW-AWEZNQCLSA-N 1 2 389.858 3.768 50 0 GHAALO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc(Cl)cc1F ZINC000012979003 210037996 /nfs/dbraw/zinc/03/79/96/210037996.db2.gz SNDPSRQNXXBGFW-AWEZNQCLSA-N 1 2 389.858 3.768 50 0 GHAALO O=C(Nc1ccc(F)cc1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000012844983 210016766 /nfs/dbraw/zinc/01/67/66/210016766.db2.gz FRIYHMOGHUPQFJ-UHFFFAOYSA-N 1 2 377.847 3.708 50 0 GHAALO COc1cc(OC)c(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2C)cc1Cl ZINC000012853852 210018338 /nfs/dbraw/zinc/01/83/38/210018338.db2.gz WYOMBLIOPVIHLZ-LLVKDONJSA-N 1 2 380.897 3.977 50 0 GHAALO COc1cc(OC)c(NC(=O)C[N@H+]2CCc3sccc3[C@H]2C)cc1Cl ZINC000012853852 210018340 /nfs/dbraw/zinc/01/83/40/210018340.db2.gz WYOMBLIOPVIHLZ-LLVKDONJSA-N 1 2 380.897 3.977 50 0 GHAALO Cc1noc2nc(C)cc(C(=O)Nc3nc(C[N@H+]4CCC[C@H](C)C4)cs3)c12 ZINC000012777828 210006330 /nfs/dbraw/zinc/00/63/30/210006330.db2.gz GJNRZNVVELHVME-NSHDSACASA-N 1 2 385.493 3.780 50 0 GHAALO Cc1noc2nc(C)cc(C(=O)Nc3nc(C[N@@H+]4CCC[C@H](C)C4)cs3)c12 ZINC000012777828 210006334 /nfs/dbraw/zinc/00/63/34/210006334.db2.gz GJNRZNVVELHVME-NSHDSACASA-N 1 2 385.493 3.780 50 0 GHAALO CCOc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCSCC2)cc1 ZINC000253407157 209218659 /nfs/dbraw/zinc/21/86/59/209218659.db2.gz VQKYHOYCMWSLPS-KRWDZBQOSA-N 1 2 375.494 3.590 50 0 GHAALO CCOCCOc1ccccc1NC(=O)NCc1ccc2c(c1)[nH+]c(C)n2C ZINC000097831071 211374647 /nfs/dbraw/zinc/37/46/47/211374647.db2.gz AKAAPUAKRCENKP-UHFFFAOYSA-N 1 2 382.464 3.619 50 0 GHAALO CC[C@@H](CNC(=O)Nc1ccccc1Oc1ccccc1F)[NH+]1CCOCC1 ZINC000097713538 211372420 /nfs/dbraw/zinc/37/24/20/211372420.db2.gz LKCFCUZQCBCRCN-INIZCTEOSA-N 1 2 387.455 3.850 50 0 GHAALO Brc1cc2c(cc1C[N@@H+]1CCO[C@H]3CCCC[C@@H]31)OCCCO2 ZINC000095992445 211293139 /nfs/dbraw/zinc/29/31/39/211293139.db2.gz WNHIANVZWXALMM-HOTGVXAUSA-N 1 2 382.298 3.754 50 0 GHAALO Brc1cc2c(cc1C[N@H+]1CCO[C@H]3CCCC[C@@H]31)OCCCO2 ZINC000095992445 211293144 /nfs/dbraw/zinc/29/31/44/211293144.db2.gz WNHIANVZWXALMM-HOTGVXAUSA-N 1 2 382.298 3.754 50 0 GHAALO O=C(NC[C@H]1CCC[N@@H+](Cc2cscn2)C1)c1cccc(C(F)(F)F)c1 ZINC000095525101 211269895 /nfs/dbraw/zinc/26/98/95/211269895.db2.gz YKMJPJOTORBQNY-CYBMUJFWSA-N 1 2 383.439 3.804 50 0 GHAALO O=C(NC[C@H]1CCC[N@H+](Cc2cscn2)C1)c1cccc(C(F)(F)F)c1 ZINC000095525101 211269889 /nfs/dbraw/zinc/26/98/89/211269889.db2.gz YKMJPJOTORBQNY-CYBMUJFWSA-N 1 2 383.439 3.804 50 0 GHAALO O=C(c1ccc2nccnc2c1)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095496562 211250871 /nfs/dbraw/zinc/25/08/71/211250871.db2.gz LUQYFXWWZMWCFJ-GOSISDBHSA-N 1 2 375.476 3.646 50 0 GHAALO CCCCn1cc[nH+]c1C1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000095511679 211261832 /nfs/dbraw/zinc/26/18/32/211261832.db2.gz PBJPEASZXOKSAF-UHFFFAOYSA-N 1 2 377.492 3.889 50 0 GHAALO CSc1nc(C(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)cs1 ZINC000095505692 211257565 /nfs/dbraw/zinc/25/75/65/211257565.db2.gz HKEQWIMILWIPKL-UHFFFAOYSA-N 1 2 376.551 3.881 50 0 GHAALO CCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)N(C)CCc1noc(C2CC2)n1 ZINC000095359462 211223916 /nfs/dbraw/zinc/22/39/16/211223916.db2.gz WBBNFMCPZDLJPJ-MRXNPFEDSA-N 1 2 381.480 3.511 50 0 GHAALO COCCn1cc[nH+]c1C1CCN(C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000091664997 211201286 /nfs/dbraw/zinc/20/12/86/211201286.db2.gz STCXVGZTXAGVRK-UHFFFAOYSA-N 1 2 376.888 3.903 50 0 GHAALO O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000072437027 211119237 /nfs/dbraw/zinc/11/92/37/211119237.db2.gz UAFWZRFJGQYDBB-UHFFFAOYSA-N 1 2 387.483 3.757 50 0 GHAALO COc1ccccc1N1CC[N@H+](Cc2sc(N(C)C)nc2Cl)[C@H](C)C1 ZINC000072126688 211072369 /nfs/dbraw/zinc/07/23/69/211072369.db2.gz JHWPVPZCAIFHFR-CYBMUJFWSA-N 1 2 380.945 3.582 50 0 GHAALO COc1ccccc1N1CC[N@@H+](Cc2sc(N(C)C)nc2Cl)[C@H](C)C1 ZINC000072126688 211072371 /nfs/dbraw/zinc/07/23/71/211072371.db2.gz JHWPVPZCAIFHFR-CYBMUJFWSA-N 1 2 380.945 3.582 50 0 GHAALO C[C@H](c1nc(-c2ccncc2)no1)n1cc[nH+]c1-c1cccc(-n2cccn2)c1 ZINC000071750861 211055638 /nfs/dbraw/zinc/05/56/38/211055638.db2.gz DCXYJDVXCWWIII-OAHLLOKOSA-N 1 2 383.415 3.790 50 0 GHAALO COc1ccc(Br)c(C(=O)N2CCc3[nH]c[nH+]c3C23CCCC3)c1 ZINC000065293166 210985074 /nfs/dbraw/zinc/98/50/74/210985074.db2.gz GLCPSKOSVFKPNH-UHFFFAOYSA-N 1 2 390.281 3.649 50 0 biogenic GHAALO Cc1nc([C@@H](C)[NH2+]Cc2ccc(-c3ccn(CCn4cccn4)n3)o2)cs1 ZINC000020865233 210364633 /nfs/dbraw/zinc/36/46/33/210364633.db2.gz JREMXOJJIWBKHR-CQSZACIVSA-N 1 2 382.493 3.656 50 0 GHAALO O=C(NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000020486079 210339167 /nfs/dbraw/zinc/33/91/67/210339167.db2.gz OSRIJRRQGCXNAA-QFIPXVFZSA-N 1 2 393.437 3.889 50 0 GHAALO O=C(NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000020486079 210339170 /nfs/dbraw/zinc/33/91/70/210339170.db2.gz OSRIJRRQGCXNAA-QFIPXVFZSA-N 1 2 393.437 3.889 50 0 GHAALO CCCCCCn1c2ccccc2n(C[C@@H](O)COc2ccc(OC)cc2)c1=[NH2+] ZINC000020324270 210328480 /nfs/dbraw/zinc/32/84/80/210328480.db2.gz SHYPCUXQOHFXGM-GOSISDBHSA-N 1 2 397.519 3.951 50 0 GHAALO CC[N@H+]1CCc2nc3sc(C(=O)Nc4cccc(OC)c4)c(N)c3cc2C1 ZINC000020289931 210327592 /nfs/dbraw/zinc/32/75/92/210327592.db2.gz KLWBXNVQNZNMBK-UHFFFAOYSA-N 1 2 382.489 3.517 50 0 GHAALO CC[N@@H+]1CCc2nc3sc(C(=O)Nc4cccc(OC)c4)c(N)c3cc2C1 ZINC000020289931 210327587 /nfs/dbraw/zinc/32/75/87/210327587.db2.gz KLWBXNVQNZNMBK-UHFFFAOYSA-N 1 2 382.489 3.517 50 0 GHAALO O=C(c1c[nH]c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)C1CCCCC1 ZINC000020218613 210324653 /nfs/dbraw/zinc/32/46/53/210324653.db2.gz RGVGBGYBRWUYHC-UHFFFAOYSA-N 1 2 379.504 3.736 50 0 GHAALO CCn1c2ccccc2n(C[C@H](O)COc2ccc(Cl)cc2Cl)c1=[NH2+] ZINC000020064697 210313900 /nfs/dbraw/zinc/31/39/00/210313900.db2.gz VJOLMVIDUNDJQX-ZDUSSCGKSA-N 1 2 380.275 3.689 50 0 GHAALO CCCCn1c(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cnc1S(=O)(=O)CC ZINC000019840172 210301997 /nfs/dbraw/zinc/30/19/97/210301997.db2.gz RWEGYEDNBWWIPI-LJQANCHMSA-N 1 2 389.565 3.856 50 0 GHAALO CCCCn1c(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cnc1S(=O)(=O)CC ZINC000019840172 210301998 /nfs/dbraw/zinc/30/19/98/210301998.db2.gz RWEGYEDNBWWIPI-LJQANCHMSA-N 1 2 389.565 3.856 50 0 GHAALO CSc1ccc(C[NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000019831705 210300025 /nfs/dbraw/zinc/30/00/25/210300025.db2.gz FICGCDWTHKPIRI-UHFFFAOYSA-N 1 2 390.936 3.785 50 0 GHAALO O=C(C[NH+]1CCN(c2ccccc2O)CC1)Nc1ccccc1-c1ccccc1 ZINC000057893938 136154015 /nfs/dbraw/zinc/15/40/15/136154015.db2.gz LQVXMTQRXXSRFK-UHFFFAOYSA-N 1 2 387.483 3.820 50 0 GHAALO COc1cccc(N2C[C@@H](Cc3ccccc3)[N@H+](Cc3ccco3)CC2=O)c1 ZINC000082137733 136174040 /nfs/dbraw/zinc/17/40/40/136174040.db2.gz BHBXHRFODXBORZ-HXUWFJFHSA-N 1 2 376.456 3.748 50 0 GHAALO COc1cccc(N2C[C@@H](Cc3ccccc3)[N@@H+](Cc3ccco3)CC2=O)c1 ZINC000082137733 136174041 /nfs/dbraw/zinc/17/40/41/136174041.db2.gz BHBXHRFODXBORZ-HXUWFJFHSA-N 1 2 376.456 3.748 50 0 GHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCc3cccc(F)c3)csc2C1 ZINC000426440388 534362032 /nfs/dbraw/zinc/36/20/32/534362032.db2.gz WAUIEAUUCXELDM-UHFFFAOYSA-N 1 2 399.491 3.980 50 0 GHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCc3cccc(F)c3)csc2C1 ZINC000426440388 534362037 /nfs/dbraw/zinc/36/20/37/534362037.db2.gz WAUIEAUUCXELDM-UHFFFAOYSA-N 1 2 399.491 3.980 50 0 GHAALO Cc1ccccc1N1CCCN(C(=O)c2ccc(-c3cccc(N)[nH+]3)cc2)CC1 ZINC000426442085 534821519 /nfs/dbraw/zinc/82/15/19/534821519.db2.gz XREAOFGKNGDDOL-UHFFFAOYSA-N 1 2 386.499 3.992 50 0 GHAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1ccc(C)c(F)c1)CC3 ZINC000049003220 570261854 /nfs/dbraw/zinc/26/18/54/570261854.db2.gz GUJLVXLALNZJLF-UHFFFAOYSA-N 1 2 393.462 3.589 50 0 GHAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)CC3 ZINC000049003220 570261859 /nfs/dbraw/zinc/26/18/59/570261859.db2.gz GUJLVXLALNZJLF-UHFFFAOYSA-N 1 2 393.462 3.589 50 0 GHAALO CC(C)c1nnc(C2CC[NH+](CC(=O)Nc3nc4ccccc4s3)CC2)o1 ZINC000049377194 570263485 /nfs/dbraw/zinc/26/34/85/570263485.db2.gz WIJPNEXGTZZRNG-UHFFFAOYSA-N 1 2 385.493 3.621 50 0 GHAALO CCCn1c2ccccc2[nH+]c1NCCNC(=O)COc1ccc(Cl)cc1 ZINC000034906846 570339348 /nfs/dbraw/zinc/33/93/48/570339348.db2.gz LTEMGIPYXPRTKW-UHFFFAOYSA-N 1 2 386.883 3.707 50 0 GHAALO C[C@@H](NC(=O)C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)c1ccccc1 ZINC000035404374 570351314 /nfs/dbraw/zinc/35/13/14/570351314.db2.gz ACTKCGBHAXLEKC-LJQANCHMSA-N 1 2 386.499 3.839 50 0 GHAALO C[C@@H](NC(=O)C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)c1ccccc1 ZINC000035404374 570351318 /nfs/dbraw/zinc/35/13/18/570351318.db2.gz ACTKCGBHAXLEKC-LJQANCHMSA-N 1 2 386.499 3.839 50 0 GHAALO CC1=C[C@](O)(C(F)(F)Cl)N(c2nc(-c3ccco3)cc(C(F)(F)F)n2)[NH2+]1 ZINC000006263576 570353045 /nfs/dbraw/zinc/35/30/45/570353045.db2.gz MOTACOZPWBJPCT-LBPRGKRZSA-N 1 2 396.703 3.862 50 0 GHAALO C[N@@H+]1CCc2nc(NC(=O)c3cccc(OCc4ccccc4)c3)sc2C1 ZINC000023873152 570374581 /nfs/dbraw/zinc/37/45/81/570374581.db2.gz IWKUYDQCYJEOPK-UHFFFAOYSA-N 1 2 379.485 3.962 50 0 GHAALO C[N@H+]1CCc2nc(NC(=O)c3cccc(OCc4ccccc4)c3)sc2C1 ZINC000023873152 570374582 /nfs/dbraw/zinc/37/45/82/570374582.db2.gz IWKUYDQCYJEOPK-UHFFFAOYSA-N 1 2 379.485 3.962 50 0 GHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1csc(-c2ccsc2)n1 ZINC000023995593 570376729 /nfs/dbraw/zinc/37/67/29/570376729.db2.gz MJSNFHRIZNXZKD-UHFFFAOYSA-N 1 2 399.541 3.634 50 0 GHAALO COc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc1 ZINC000024118450 570379142 /nfs/dbraw/zinc/37/91/42/570379142.db2.gz ZPTCJJOZDXKHBL-UHFFFAOYSA-N 1 2 379.287 3.960 50 0 GHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(-c2ccccc2F)o1 ZINC000024180339 570379975 /nfs/dbraw/zinc/37/99/75/570379975.db2.gz KCDCISGTXUQYTI-UHFFFAOYSA-N 1 2 394.446 3.848 50 0 GHAALO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000004951380 570380912 /nfs/dbraw/zinc/38/09/12/570380912.db2.gz WIMMOVVTCGSXMC-CYBMUJFWSA-N 1 2 380.275 3.505 50 0 GHAALO O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000024601527 570386942 /nfs/dbraw/zinc/38/69/42/570386942.db2.gz JKIPEKVJEXZEFC-UHFFFAOYSA-N 1 2 379.504 3.761 50 0 GHAALO CCc1ccc2nc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)sc2c1 ZINC000025514139 570414912 /nfs/dbraw/zinc/41/49/12/570414912.db2.gz STEHFRLQORRTGL-UHFFFAOYSA-N 1 2 381.501 3.943 50 0 GHAALO Cc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000033793528 570419317 /nfs/dbraw/zinc/41/93/17/570419317.db2.gz CXPGJWIXKLFJRP-UHFFFAOYSA-N 1 2 380.536 3.687 50 0 GHAALO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000239296970 570428841 /nfs/dbraw/zinc/42/88/41/570428841.db2.gz DNRIDEVNQBAYAR-JSGCOSHPSA-N 1 2 378.831 3.578 50 0 GHAALO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000239296970 570428842 /nfs/dbraw/zinc/42/88/42/570428842.db2.gz DNRIDEVNQBAYAR-JSGCOSHPSA-N 1 2 378.831 3.578 50 0 GHAALO CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000027581452 570436499 /nfs/dbraw/zinc/43/64/99/570436499.db2.gz WBICNCHYPNTRHC-NRFANRHFSA-N 1 2 382.504 3.587 50 0 GHAALO C[C@H](NC(=O)c1cnn(-c2ccc(F)cc2F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000125237402 570448553 /nfs/dbraw/zinc/44/85/53/570448553.db2.gz IKXLOHDIXMDZDT-AWEZNQCLSA-N 1 2 393.397 3.827 50 0 GHAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1sc2ccccc2c1Cl ZINC000028929138 570466861 /nfs/dbraw/zinc/46/68/61/570466861.db2.gz RITJEFISJHCNKP-UHFFFAOYSA-N 1 2 387.892 3.716 50 0 GHAALO Cc1ccc(-c2cnn3c2nc(C)cc3N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000006759265 570492552 /nfs/dbraw/zinc/49/25/52/570492552.db2.gz MJLAJBVRNVZITG-UHFFFAOYSA-N 1 2 384.487 3.735 50 0 GHAALO O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1CSC[N@@H+]1[C@@H]2c1cccc(Cl)c1 ZINC000036382104 570564891 /nfs/dbraw/zinc/56/48/91/570564891.db2.gz KRCZASBHGOCUQV-BRSBDYLESA-N 1 2 384.888 3.575 50 0 GHAALO O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H]1CSC[N@H+]1[C@@H]2c1cccc(Cl)c1 ZINC000036382104 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O=C(Cc1csc(-c2ccco2)n1)Nc1cccc(OCCn2cc[nH+]c2)c1 ZINC000042707106 570892634 /nfs/dbraw/zinc/89/26/34/570892634.db2.gz BTWPATFJZGPWFC-UHFFFAOYSA-N 1 2 394.456 3.860 50 0 GHAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000110534856 570939126 /nfs/dbraw/zinc/93/91/26/570939126.db2.gz LEDCYKNYWBNCCU-GRDNDAEWSA-N 1 2 397.357 3.830 50 0 GHAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000110534856 570939132 /nfs/dbraw/zinc/93/91/32/570939132.db2.gz LEDCYKNYWBNCCU-GRDNDAEWSA-N 1 2 397.357 3.830 50 0 GHAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccnn2C2CCCC2)c1 ZINC000007718603 571020466 /nfs/dbraw/zinc/02/04/66/571020466.db2.gz WCISHUVXTPCFEA-IBGZPJMESA-N 1 2 398.507 3.791 50 0 GHAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccnn2C2CCCC2)c1 ZINC000007718603 571020468 /nfs/dbraw/zinc/02/04/68/571020468.db2.gz WCISHUVXTPCFEA-IBGZPJMESA-N 1 2 398.507 3.791 50 0 GHAALO O=C(CCc1cccs1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095517930 571085020 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857247238 /nfs/dbraw/zinc/24/72/38/857247238.db2.gz MDMVLUBJSBWNNE-NRFANRHFSA-N 1 2 380.488 3.968 50 0 GHAALO C[C@H](NS(=O)(=O)C1=Cc2ccccc2CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007986001 862966344 /nfs/dbraw/zinc/96/63/44/862966344.db2.gz JGFVLHMLDUQLLS-INIZCTEOSA-N 1 2 379.485 3.840 50 0 GHAALO Cc1[nH+]c(N2CCCC2)ccc1NC(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC000184102108 864085265 /nfs/dbraw/zinc/08/52/65/864085265.db2.gz ZPSYQPBQKIJXAC-UHFFFAOYSA-N 1 2 383.402 3.706 50 0 GHAALO Cc1c[nH+]c([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3)C2)n1Cc1ccccc1 ZINC000581815662 870044509 /nfs/dbraw/zinc/04/45/09/870044509.db2.gz FMBKNNQRDGCZBT-GOSISDBHSA-N 1 2 399.491 3.557 50 0 GHAALO COCc1[nH+]cc(C)n1CCC1CCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC000581813691 870056912 /nfs/dbraw/zinc/05/69/12/870056912.db2.gz FAJBKJRKWIJWTD-UHFFFAOYSA-N 1 2 392.503 3.829 50 0 GHAALO Cn1c[nH+]cc1CNS(=O)(=O)c1cc(Cl)ccc1OCC1CCCCC1 ZINC000585084748 897185878 /nfs/dbraw/zinc/18/58/78/897185878.db2.gz ONZOANNDSCCFAY-UHFFFAOYSA-N 1 2 397.928 3.511 50 0 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O[C@@H](c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1F)CCO2 ZINC000299759436 212032349 /nfs/dbraw/zinc/03/23/49/212032349.db2.gz RJZWFDYSWNQUED-JOCHJYFZSA-N 1 2 382.410 3.836 50 0 GHAALO Cc1[nH]c2ccc(CNC(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)cc2[nH+]1 ZINC000096164386 211316328 /nfs/dbraw/zinc/31/63/28/211316328.db2.gz KCWVPYPPTYXWQM-GOSISDBHSA-N 1 2 380.448 3.751 50 0 GHAALO Cc1[nH]c2cc(CNC(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)ccc2[nH+]1 ZINC000096164386 211316335 /nfs/dbraw/zinc/31/63/35/211316335.db2.gz KCWVPYPPTYXWQM-GOSISDBHSA-N 1 2 380.448 3.751 50 0 GHAALO O=C(c1c[nH]c(=O)c2ccccc12)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095509054 211259878 /nfs/dbraw/zinc/25/98/78/211259878.db2.gz JREVJEGNZIWMSI-QGZVFWFLSA-N 1 2 390.487 3.545 50 0 GHAALO O=C(c1ccc(F)cc1F)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095507841 211259501 /nfs/dbraw/zinc/25/95/01/211259501.db2.gz WKELGKCKZWTJDV-UHFFFAOYSA-N 1 2 382.414 3.624 50 0 GHAALO O=C(c1cc(F)ccc1F)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095502481 211255605 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ZINC000036019940 570513337 /nfs/dbraw/zinc/51/33/37/570513337.db2.gz ODHUZHFMMOWRFE-MAUKXSAKSA-N 1 2 391.943 3.527 50 0 GHAALO CCOc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C[N@@H+](C)CC3 ZINC000006737149 570559405 /nfs/dbraw/zinc/55/94/05/570559405.db2.gz KTBXTUNAOUPHRQ-UHFFFAOYSA-N 1 2 382.489 3.517 50 0 GHAALO CCOc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C[N@H+](C)CC3 ZINC000006737149 570559406 /nfs/dbraw/zinc/55/94/06/570559406.db2.gz KTBXTUNAOUPHRQ-UHFFFAOYSA-N 1 2 382.489 3.517 50 0 GHAALO COc1ccc(C(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022906872 570563637 /nfs/dbraw/zinc/56/36/37/570563637.db2.gz GETDLLLYFXUAPL-OAQYLSRUSA-N 1 2 376.456 3.818 50 0 GHAALO COc1ccc(C(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022906872 570563638 /nfs/dbraw/zinc/56/36/38/570563638.db2.gz GETDLLLYFXUAPL-OAQYLSRUSA-N 1 2 376.456 3.818 50 0 GHAALO Brc1ccccc1-c1nn2c(C[NH+]3CCCCC3)nnc2s1 ZINC000040287054 570597509 /nfs/dbraw/zinc/59/75/09/570597509.db2.gz UCSCUNLAEOBIFD-UHFFFAOYSA-N 1 2 378.299 3.601 50 0 GHAALO COc1cc2c(cc1OC)[C@H](C)[N@H+](CC(=O)Nc1ccc(F)c(F)c1)CC2 ZINC000005450920 570598836 /nfs/dbraw/zinc/59/88/36/570598836.db2.gz QWTDTDLYVIFALD-LBPRGKRZSA-N 1 2 376.403 3.540 50 0 GHAALO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)CC2 ZINC000005450920 570598840 /nfs/dbraw/zinc/59/88/40/570598840.db2.gz QWTDTDLYVIFALD-LBPRGKRZSA-N 1 2 376.403 3.540 50 0 GHAALO O=C(CCC(=O)c1ccc(F)cc1)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012057707 570603097 /nfs/dbraw/zinc/60/30/97/570603097.db2.gz FHRDCJDJNBKGNP-LJQANCHMSA-N 1 2 386.442 3.709 50 0 GHAALO O=C(CCC(=O)c1ccc(F)cc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012057707 570603098 /nfs/dbraw/zinc/60/30/98/570603098.db2.gz FHRDCJDJNBKGNP-LJQANCHMSA-N 1 2 386.442 3.709 50 0 GHAALO CN(C)c1nc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc2ccccc21 ZINC000041147138 570615574 /nfs/dbraw/zinc/61/55/74/570615574.db2.gz FWPVUHUWAJDPAI-UHFFFAOYSA-N 1 2 381.911 3.671 50 0 GHAALO Cc1occc1C(=O)NCc1ccc[nH+]c1N1CCN(c2ccccc2C)CC1 ZINC000012305308 570638040 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C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccn(Cc2cn3ccccc3[nH+]2)n1 ZINC000058171161 570715479 /nfs/dbraw/zinc/71/54/79/570715479.db2.gz AFXBXKYYEGVUAO-CQSZACIVSA-N 1 2 395.850 3.639 50 0 GHAALO Cc1ccn2cc(CNC(=O)N3CCC(OCCc4ccccc4)CC3)[nH+]c2c1 ZINC000058173898 570715853 /nfs/dbraw/zinc/71/58/53/570715853.db2.gz VXTALNHMMJDRIY-UHFFFAOYSA-N 1 2 392.503 3.576 50 0 GHAALO Cc1nn2cc(CCn3c[nH+]c(-c4ccccc4)c3[C@@H]3CCOC3)nc2s1 ZINC000065397646 570766221 /nfs/dbraw/zinc/76/62/21/570766221.db2.gz HLRICABLOQMTPL-MRXNPFEDSA-N 1 2 379.489 3.709 50 0 GHAALO CCNc1cc(N2CCC(CCC(=O)NCc3ccc(C)cc3)CC2)nc[nH+]1 ZINC000065274026 570776176 /nfs/dbraw/zinc/77/61/76/570776176.db2.gz WEOLXGDMAKSWLI-UHFFFAOYSA-N 1 2 381.524 3.530 50 0 GHAALO CCNc1cc(N2CCC(CCC(=O)NCc3ccc(C)cc3)CC2)[nH+]cn1 ZINC000065274026 570776180 /nfs/dbraw/zinc/77/61/80/570776180.db2.gz WEOLXGDMAKSWLI-UHFFFAOYSA-N 1 2 381.524 3.530 50 0 GHAALO CC(C)(C)NC(=O)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000033106618 570811599 /nfs/dbraw/zinc/81/15/99/570811599.db2.gz WFYSHSBJBZXYAM-UHFFFAOYSA-N 1 2 391.519 3.715 50 0 GHAALO Clc1ccc(-c2nc(C[NH+](C[C@@H]3CCCO3)C[C@@H]3CCCO3)no2)cc1 ZINC000065491017 570824809 /nfs/dbraw/zinc/82/48/09/570824809.db2.gz HBZWHDOSIQJLPB-IRXDYDNUSA-N 1 2 377.872 3.550 50 0 GHAALO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012540710 570841613 /nfs/dbraw/zinc/84/16/13/570841613.db2.gz LRSCMAFQHAJSGG-CYBMUJFWSA-N 1 2 380.473 3.579 50 0 GHAALO O=C(Nc1cccc(OCCn2cc[nH+]c2)c1)c1cccc(Br)c1 ZINC000042706628 570892975 /nfs/dbraw/zinc/89/29/75/570892975.db2.gz ABSRZTOWBDFCEG-UHFFFAOYSA-N 1 2 386.249 3.977 50 0 GHAALO Cc1ccc(C(=O)CCC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1C ZINC000032899738 570895762 /nfs/dbraw/zinc/89/57/62/570895762.db2.gz BXSZBPWIYZJVTB-QFIPXVFZSA-N 1 2 375.472 3.906 50 0 GHAALO O=C(Cc1cccc2ccccc21)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000022465321 570898028 /nfs/dbraw/zinc/89/80/28/570898028.db2.gz ADADMIWEPSNETR-HXUWFJFHSA-N 1 2 380.513 3.634 50 0 GHAALO COc1ccc(CC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000015317942 570898627 /nfs/dbraw/zinc/89/86/27/570898627.db2.gz PPWLYMHUUHTBQO-UHFFFAOYSA-N 1 2 393.512 3.891 50 0 GHAALO COc1ccc(CC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000015317942 570898629 /nfs/dbraw/zinc/89/86/29/570898629.db2.gz PPWLYMHUUHTBQO-UHFFFAOYSA-N 1 2 393.512 3.891 50 0 GHAALO CCC(CC)[C@@H](NC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)c1ccccc1 ZINC000032937694 570953068 /nfs/dbraw/zinc/95/30/68/570953068.db2.gz NNKXWYSXWPCKLE-JOCHJYFZSA-N 1 2 396.535 3.895 50 0 GHAALO C[N@H+](Cc1cc(C(=O)NCc2ccc(Cl)s2)no1)Cc1ccccc1 ZINC000012702449 570966172 /nfs/dbraw/zinc/96/61/72/570966172.db2.gz JEEHAZDSNKPSMJ-UHFFFAOYSA-N 1 2 375.881 3.952 50 0 GHAALO C[N@@H+](Cc1cc(C(=O)NCc2ccc(Cl)s2)no1)Cc1ccccc1 ZINC000012702449 570966178 /nfs/dbraw/zinc/96/61/78/570966178.db2.gz JEEHAZDSNKPSMJ-UHFFFAOYSA-N 1 2 375.881 3.952 50 0 GHAALO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)c2ccc(C3CCC3)cc2)CC1 ZINC000252483833 570968536 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GHAALO Cc1c[nH+]c(CO[C@H]2CCCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)C2)n1C ZINC000257178109 838739301 /nfs/dbraw/zinc/73/93/01/838739301.db2.gz YVCYVDZUULMBMO-INIZCTEOSA-N 1 2 386.883 3.685 50 0 GHAALO Cc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000056945378 861846757 /nfs/dbraw/zinc/84/67/57/861846757.db2.gz XJADCUWKMYRISZ-QFIPXVFZSA-N 1 2 389.499 3.881 50 0 GHAALO CCC[NH+](CCC)Cn1nc(-c2ccncc2)n(CCCOCC)c1=S ZINC000003262238 862292199 /nfs/dbraw/zinc/29/21/99/862292199.db2.gz CSFNFPVIXWZCDN-UHFFFAOYSA-N 1 2 377.558 3.982 50 0 GHAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(Oc2ncccn2)c1 ZINC000040145696 856680863 /nfs/dbraw/zinc/68/08/63/856680863.db2.gz YDQMUVGDIKDIKR-KRWDZBQOSA-N 1 2 380.452 3.702 50 0 GHAALO COc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)cc1OC ZINC000040151843 856684169 /nfs/dbraw/zinc/68/41/69/856684169.db2.gz IOGNIZKOKBEVBK-IRXDYDNUSA-N 1 2 383.492 3.501 50 0 GHAALO O=C(c1cc2cc(Br)ccc2o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000009135222 856900578 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CC(C)c1ccc(N[C@H]2CCCN(C(=O)C[N@H+](C)Cc3ccncc3)C2)cc1 ZINC000012305662 859843522 /nfs/dbraw/zinc/84/35/22/859843522.db2.gz KBJSRWPZCKKSQF-QFIPXVFZSA-N 1 2 380.536 3.740 50 0 GHAALO CC(C)c1ccc(N[C@H]2CCCN(C(=O)C[N@@H+](C)Cc3ccncc3)C2)cc1 ZINC000012305662 859843530 /nfs/dbraw/zinc/84/35/30/859843530.db2.gz KBJSRWPZCKKSQF-QFIPXVFZSA-N 1 2 380.536 3.740 50 0 GHAALO COC1(c2nc(Cc3ccccc3)no2)CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528498188 860381882 /nfs/dbraw/zinc/38/18/82/860381882.db2.gz UIQHYJCLTNXRGP-UHFFFAOYSA-N 1 2 398.894 3.847 50 0 GHAALO Cc1nn(C)c(OCC(F)(F)F)c1CNc1[nH+]c2cccc(Cl)c2n1C ZINC000184310911 864352302 /nfs/dbraw/zinc/35/23/02/864352302.db2.gz MVHDWOSEPGWFSJ-UHFFFAOYSA-N 1 2 387.793 3.822 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000575547343 866187634 /nfs/dbraw/zinc/18/76/34/866187634.db2.gz ZQZRCZUPABLBGM-HXUWFJFHSA-N 1 2 378.451 3.799 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1C[C@@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000581813958 870058134 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CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000015071033 210147210 /nfs/dbraw/zinc/14/72/10/210147210.db2.gz LWXWMTKRAMPAAJ-UHFFFAOYSA-N 1 2 395.425 3.817 50 0 GHAALO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000015071033 210147206 /nfs/dbraw/zinc/14/72/06/210147206.db2.gz LWXWMTKRAMPAAJ-UHFFFAOYSA-N 1 2 395.425 3.817 50 0 GHAALO Cc1ccsc1C[N@@H+](C)Cc1nnc(SCCOc2ccccc2)n1C ZINC000014993854 210141283 /nfs/dbraw/zinc/14/12/83/210141283.db2.gz NPMQELCCCZSUGC-UHFFFAOYSA-N 1 2 388.562 3.988 50 0 GHAALO Cc1ccsc1C[N@H+](C)Cc1nnc(SCCOc2ccccc2)n1C ZINC000014993854 210141287 /nfs/dbraw/zinc/14/12/87/210141287.db2.gz NPMQELCCCZSUGC-UHFFFAOYSA-N 1 2 388.562 3.988 50 0 GHAALO CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000013323394 210056949 /nfs/dbraw/zinc/05/69/49/210056949.db2.gz GNGPXKGYLHKYIT-MJGOQNOKSA-N 1 2 375.532 3.669 50 0 GHAALO COc1ccc(Cl)cc1NC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000013324828 210056711 /nfs/dbraw/zinc/05/67/11/210056711.db2.gz 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CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000012897645 210024526 /nfs/dbraw/zinc/02/45/26/210024526.db2.gz VRJXLDVMSBIVCS-OAHLLOKOSA-N 1 2 390.505 3.722 50 0 GHAALO CC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000012814086 210015601 /nfs/dbraw/zinc/01/56/01/210015601.db2.gz QCWISTPWVGSXET-WMLDXEAASA-N 1 2 384.501 3.932 50 0 GHAALO CC(=O)c1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000012814086 210015605 /nfs/dbraw/zinc/01/56/05/210015605.db2.gz QCWISTPWVGSXET-WMLDXEAASA-N 1 2 384.501 3.932 50 0 GHAALO Cc1ccc(Cn2ncc3c2nc[nH+]c3N2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000001473026 209330565 /nfs/dbraw/zinc/33/05/65/209330565.db2.gz OJTUEASMVVJXHR-UHFFFAOYSA-N 1 2 398.514 3.818 50 0 GHAALO O=C(NC[C@H](c1ccco1)[NH+]1CCSCC1)c1ccc(C(F)(F)F)cc1 ZINC000253409150 209219701 /nfs/dbraw/zinc/21/97/01/209219701.db2.gz ZOAYPHTYGVLSEN-OAHLLOKOSA-N 1 2 384.423 3.818 50 0 GHAALO O=C(C[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCCc1ccco1 ZINC000299760943 212033690 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O=C(c1sc2cc(F)ccc2c1Cl)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000060391713 210926756 /nfs/dbraw/zinc/92/67/56/210926756.db2.gz LVVLWXJZGDOIDA-ZDUSSCGKSA-N 1 2 382.888 3.631 50 0 GHAALO COc1cc(NC(=O)Cc2cn3cc(Cl)ccc3[nH+]2)c(OC)cc1Cl ZINC000041283740 210800943 /nfs/dbraw/zinc/80/09/43/210800943.db2.gz DDPRERLCLGDKBL-UHFFFAOYSA-N 1 2 380.231 3.840 50 0 GHAALO O=C(c1ccco1)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000033106701 210625555 /nfs/dbraw/zinc/62/55/55/210625555.db2.gz XIQBHBSVKDNJIK-UHFFFAOYSA-N 1 2 386.455 3.640 50 0 GHAALO Cc1ccc2c(C[NH+]3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc(=O)oc2c1 ZINC000020463641 210338338 /nfs/dbraw/zinc/33/83/38/210338338.db2.gz VXPZJQZOXBQYDZ-UHFFFAOYSA-N 1 2 396.874 3.713 50 0 GHAALO Cc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3cccc(C)c3n2)cc1 ZINC000020368472 210328242 /nfs/dbraw/zinc/32/82/42/210328242.db2.gz CHIOZHGWDSQTQO-UHFFFAOYSA-N 1 2 389.499 3.581 50 0 GHAALO COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)C1 ZINC000020203291 210320577 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50 0 GHAALO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)cc1F ZINC000019732039 210291179 /nfs/dbraw/zinc/29/11/79/210291179.db2.gz YUGSWIABCZABHM-QGZVFWFLSA-N 1 2 395.434 3.979 50 0 GHAALO C[C@@H](C(=O)NCc1cccs1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057763724 136154032 /nfs/dbraw/zinc/15/40/32/136154032.db2.gz FOLCFUSRZGEHAY-AWEZNQCLSA-N 1 2 397.466 3.594 50 0 GHAALO Cc1noc(C)c1CN1CC2(CC1=O)CCN(c1[nH+]ccc3ccccc31)CC2 ZINC000095353375 136177920 /nfs/dbraw/zinc/17/79/20/136177920.db2.gz JMQFJJNVWAILJX-UHFFFAOYSA-N 1 2 390.487 3.859 50 0 GHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCc3cc(C)ccn3)csc2C1 ZINC000426477529 534360587 /nfs/dbraw/zinc/36/05/87/534360587.db2.gz HFNPVPIQNIMNIE-UHFFFAOYSA-N 1 2 396.516 3.545 50 0 GHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCc3cc(C)ccn3)csc2C1 ZINC000426477529 534360593 /nfs/dbraw/zinc/36/05/93/534360593.db2.gz HFNPVPIQNIMNIE-UHFFFAOYSA-N 1 2 396.516 3.545 50 0 GHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCc3cccc(C)n3)csc2C1 ZINC000426440272 534361277 /nfs/dbraw/zinc/36/12/77/534361277.db2.gz KNRHAVLILSCOHU-UHFFFAOYSA-N 1 2 396.516 3.545 50 0 GHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCc3cccc(C)n3)csc2C1 ZINC000426440272 534361282 /nfs/dbraw/zinc/36/12/82/534361282.db2.gz KNRHAVLILSCOHU-UHFFFAOYSA-N 1 2 396.516 3.545 50 0 GHAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3cccc(OC)c3)C2)nc[nH+]1 ZINC000065244858 535192519 /nfs/dbraw/zinc/19/25/19/535192519.db2.gz QQMPYZRXVLQSOY-QGZVFWFLSA-N 1 2 397.523 3.942 50 0 GHAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3cccc(OC)c3)C2)[nH+]cn1 ZINC000065244858 535192525 /nfs/dbraw/zinc/19/25/25/535192525.db2.gz QQMPYZRXVLQSOY-QGZVFWFLSA-N 1 2 397.523 3.942 50 0 GHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc(-n2cccn2)cc1 ZINC000048261922 570224440 /nfs/dbraw/zinc/22/44/40/570224440.db2.gz IRXLWBZJOKXFSX-UHFFFAOYSA-N 1 2 375.476 3.578 50 0 GHAALO O=C1[C@H]2[C@@H]3CSC[N@@H+]3[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccccc1 ZINC000247712496 570234119 /nfs/dbraw/zinc/23/41/19/570234119.db2.gz KRCZASBHGOCUQV-XSLAGTTESA-N 1 2 384.888 3.575 50 0 GHAALO O=C1[C@H]2[C@@H]3CSC[N@H+]3[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccccc1 ZINC000247712496 570234122 /nfs/dbraw/zinc/23/41/22/570234122.db2.gz KRCZASBHGOCUQV-XSLAGTTESA-N 1 2 384.888 3.575 50 0 GHAALO CC(C)=CC[C@H]1[C@@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1(C)C ZINC000020161434 570245440 /nfs/dbraw/zinc/24/54/40/570245440.db2.gz IIZCTMQLLDIIEZ-RXVVDRJESA-N 1 2 384.520 3.688 50 0 GHAALO O=C1NC2(CCCCC2)C(=O)N1C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000048374140 570247119 /nfs/dbraw/zinc/24/71/19/570247119.db2.gz JCUHBABNDHPTSW-UHFFFAOYSA-N 1 2 395.425 3.882 50 0 GHAALO O=C1NC2(CCCCC2)C(=O)N1C[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000048374140 570247121 /nfs/dbraw/zinc/24/71/21/570247121.db2.gz JCUHBABNDHPTSW-UHFFFAOYSA-N 1 2 395.425 3.882 50 0 GHAALO COc1ccccc1C[N@H+](C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000012921587 570294536 /nfs/dbraw/zinc/29/45/36/570294536.db2.gz RLVJPJNOPOANGJ-UHFFFAOYSA-N 1 2 378.476 3.568 50 0 GHAALO COc1ccccc1C[N@@H+](C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000012921587 570294538 /nfs/dbraw/zinc/29/45/38/570294538.db2.gz RLVJPJNOPOANGJ-UHFFFAOYSA-N 1 2 378.476 3.568 50 0 GHAALO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](COc3ccccc3F)C2)cc1 ZINC000216136820 570296252 /nfs/dbraw/zinc/29/62/52/570296252.db2.gz URLCMPVWHDSUHC-KRWDZBQOSA-N 1 2 377.481 3.520 50 0 GHAALO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](COc3ccccc3F)C2)cc1 ZINC000216136820 570296255 /nfs/dbraw/zinc/29/62/55/570296255.db2.gz URLCMPVWHDSUHC-KRWDZBQOSA-N 1 2 377.481 3.520 50 0 GHAALO O=C(CCCc1c[nH]c2ccccc12)NCc1ccccc1C[NH+]1CCOCC1 ZINC000021934985 570299917 /nfs/dbraw/zinc/29/99/17/570299917.db2.gz ZIPFNGQISDYBSC-UHFFFAOYSA-N 1 2 391.515 3.639 50 0 GHAALO O=C(Nc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)cc1)c1cccs1 ZINC000007136703 570316965 /nfs/dbraw/zinc/31/69/65/570316965.db2.gz VTRNBHBNNDLMJB-UHFFFAOYSA-N 1 2 376.441 3.578 50 0 GHAALO CC[N@H+](CCCNC(=O)c1[nH]nc2c1COc1ccccc1-2)c1ccccc1 ZINC000009728790 570321860 /nfs/dbraw/zinc/32/18/60/570321860.db2.gz VMLVIUOEOGOCTP-UHFFFAOYSA-N 1 2 376.460 3.616 50 0 GHAALO CC[N@@H+](CCCNC(=O)c1[nH]nc2c1COc1ccccc1-2)c1ccccc1 ZINC000009728790 570321861 /nfs/dbraw/zinc/32/18/61/570321861.db2.gz VMLVIUOEOGOCTP-UHFFFAOYSA-N 1 2 376.460 3.616 50 0 GHAALO C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022584560 570322189 /nfs/dbraw/zinc/32/21/89/570322189.db2.gz LDVMRSNXMJHWJZ-LOTWAOFLSA-N 1 2 395.591 3.696 50 0 GHAALO O=S(=O)(c1ccc(F)cc1)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000023080998 570343427 /nfs/dbraw/zinc/34/34/27/570343427.db2.gz XMEKWPDEUKULTN-UHFFFAOYSA-N 1 2 390.505 3.547 50 0 GHAALO COc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc(Br)c1O ZINC000055543167 570351343 /nfs/dbraw/zinc/35/13/43/570351343.db2.gz CZQHAEFNGUJUDL-UHFFFAOYSA-N 1 2 395.272 3.625 50 0 GHAALO O=C(CCCSc1ccc(Cl)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000023702375 570369574 /nfs/dbraw/zinc/36/95/74/570369574.db2.gz VJUICONCRIGVTA-UHFFFAOYSA-N 1 2 389.952 3.952 50 0 GHAALO CC(=O)c1cc(CCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)oc1C ZINC000023777933 570372506 /nfs/dbraw/zinc/37/25/06/570372506.db2.gz UHLGDOZFKFLIQC-HXUWFJFHSA-N 1 2 383.423 3.502 50 0 GHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc2ccc(F)cc2s1 ZINC000024379713 570383222 /nfs/dbraw/zinc/38/32/22/570383222.db2.gz IRJIWMMWDHYMKR-UHFFFAOYSA-N 1 2 384.476 3.803 50 0 GHAALO CCOC(=O)C1CC[NH+](Cc2coc3c(Cl)cc(Cl)cc3c2=O)CC1 ZINC000004988885 570422003 /nfs/dbraw/zinc/42/20/03/570422003.db2.gz UJJWRKLJHLWZBL-UHFFFAOYSA-N 1 2 384.259 3.875 50 0 aggregator GHAALO C[C@H](NC(=O)C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000026163687 570423148 /nfs/dbraw/zinc/42/31/48/570423148.db2.gz IQZMGIOLJVXYTE-SBUREZEXSA-N 1 2 377.463 3.910 50 0 GHAALO C[C@H](NC(=O)C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000026163687 570423149 /nfs/dbraw/zinc/42/31/49/570423149.db2.gz IQZMGIOLJVXYTE-SBUREZEXSA-N 1 2 377.463 3.910 50 0 GHAALO CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000027581446 570436589 /nfs/dbraw/zinc/43/65/89/570436589.db2.gz WBICNCHYPNTRHC-OAQYLSRUSA-N 1 2 382.504 3.587 50 0 GHAALO COc1cc(OC)c(C2=CC[N@H+](Cc3nnc(-c4ccco4)o3)CC2)c(OC)c1 ZINC000011060755 570480378 /nfs/dbraw/zinc/48/03/78/570480378.db2.gz CSGCMRMXHQPQNS-UHFFFAOYSA-N 1 2 397.431 3.645 50 0 GHAALO COc1cc(OC)c(C2=CC[N@@H+](Cc3nnc(-c4ccco4)o3)CC2)c(OC)c1 ZINC000011060755 570480380 /nfs/dbraw/zinc/48/03/80/570480380.db2.gz CSGCMRMXHQPQNS-UHFFFAOYSA-N 1 2 397.431 3.645 50 0 GHAALO COc1ccccc1N1CC[NH+](CC(=O)c2c(C)n(C)c3ccccc32)CC1 ZINC000035938049 570480469 /nfs/dbraw/zinc/48/04/69/570480469.db2.gz WMKSFUDKAAFMOF-UHFFFAOYSA-N 1 2 377.488 3.500 50 0 GHAALO COc1ccc2[nH]cc(C(=O)C[NH+]3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000036006789 570510750 /nfs/dbraw/zinc/51/07/50/570510750.db2.gz ONDHUQMTQMSUGG-UHFFFAOYSA-N 1 2 383.879 3.835 50 0 GHAALO Clc1ccc(-c2cc3c(N4CCN(c5cccc[nH+]5)CC4)nccn3n2)cc1 ZINC000033266338 570522090 /nfs/dbraw/zinc/52/20/90/570522090.db2.gz IKRBRJSVUZUXFX-UHFFFAOYSA-N 1 2 390.878 3.771 50 0 GHAALO CCC(CC)C(=O)N1CCN(c2cc(Nc3ccc(C)cc3)nc(C)[nH+]2)CC1 ZINC000033318301 570525093 /nfs/dbraw/zinc/52/50/93/570525093.db2.gz HCGKMECTQDPHLB-UHFFFAOYSA-N 1 2 381.524 3.922 50 0 GHAALO COc1cccc(C[N@H+](Cc2nc(C(=O)NCc3ccco3)co2)C(C)C)c1 ZINC000036083053 570529504 /nfs/dbraw/zinc/52/95/04/570529504.db2.gz HZVAGDYBKPKJNT-UHFFFAOYSA-N 1 2 383.448 3.617 50 0 GHAALO COc1cccc(C[N@@H+](Cc2nc(C(=O)NCc3ccco3)co2)C(C)C)c1 ZINC000036083053 570529508 /nfs/dbraw/zinc/52/95/08/570529508.db2.gz HZVAGDYBKPKJNT-UHFFFAOYSA-N 1 2 383.448 3.617 50 0 GHAALO O=C(CCN1CC[NH+](C/C=C\c2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000022867261 570557132 /nfs/dbraw/zinc/55/71/32/570557132.db2.gz CVTVQCMNNGHLKS-DAXSKMNVSA-N 1 2 383.923 4.000 50 0 GHAALO CC(C)Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)n[nH]1 ZINC000011663725 570578051 /nfs/dbraw/zinc/57/80/51/570578051.db2.gz SPVCXOIPBLLLPG-UHFFFAOYSA-N 1 2 398.555 3.771 50 0 GHAALO C[C@@H](c1ccc2c(c1)OCCO2)[N@H+](C)Cc1nc(COc2ccccc2)no1 ZINC000039461053 570592257 /nfs/dbraw/zinc/59/22/57/570592257.db2.gz SOPFNMDDFWJHSC-HNNXBMFYSA-N 1 2 381.432 3.613 50 0 GHAALO C[C@@H](c1ccc2c(c1)OCCO2)[N@@H+](C)Cc1nc(COc2ccccc2)no1 ZINC000039461053 570592261 /nfs/dbraw/zinc/59/22/61/570592261.db2.gz SOPFNMDDFWJHSC-HNNXBMFYSA-N 1 2 381.432 3.613 50 0 GHAALO Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000012301484 570636357 /nfs/dbraw/zinc/63/63/57/570636357.db2.gz VUDCYNKXBPZCHQ-MBNRZODZSA-N 1 2 375.476 3.747 50 0 GHAALO C[C@@H](NC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1)c1ccc2ccccc2c1 ZINC000036386794 570658509 /nfs/dbraw/zinc/65/85/09/570658509.db2.gz FCIYLVQXCZWDIG-GOSISDBHSA-N 1 2 389.499 3.545 50 0 GHAALO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@H](C(=O)c2cccc3ccccc32)C1 ZINC000012446293 570666867 /nfs/dbraw/zinc/66/68/67/570666867.db2.gz NUNMABSCYRGOJH-KRWDZBQOSA-N 1 2 391.471 3.835 50 0 GHAALO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@H](C(=O)c2cccc3ccccc32)C1 ZINC000012446293 570666870 /nfs/dbraw/zinc/66/68/70/570666870.db2.gz NUNMABSCYRGOJH-KRWDZBQOSA-N 1 2 391.471 3.835 50 0 GHAALO Cc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)cc1 ZINC000004341518 570676694 /nfs/dbraw/zinc/67/66/94/570676694.db2.gz IUKSNMWBXUSFPA-UHFFFAOYSA-N 1 2 393.447 3.994 50 0 GHAALO Cc1ccsc1-c1nc(C[NH+]2CCN(c3nc(C)cnc3C)CC2)c(C)o1 ZINC000055119856 570684030 /nfs/dbraw/zinc/68/40/30/570684030.db2.gz YHLZOGCWAOILIN-UHFFFAOYSA-N 1 2 383.521 3.749 50 0 GHAALO C[C@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057291679 570701780 /nfs/dbraw/zinc/70/17/80/570701780.db2.gz GAFTZKSGAXIKEE-CQSZACIVSA-N 1 2 384.480 3.585 50 0 GHAALO Brc1ccccc1-c1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000057524557 570702291 /nfs/dbraw/zinc/70/22/91/570702291.db2.gz LXBOFFPVPDPKJD-UHFFFAOYSA-N 1 2 392.326 3.991 50 0 GHAALO O=C(C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1)N1CCc2sccc2C1 ZINC000057991776 570705545 /nfs/dbraw/zinc/70/55/45/570705545.db2.gz GMARUQHYELRWFL-QFIPXVFZSA-N 1 2 377.513 3.540 50 0 GHAALO O=C(C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1)N1CCc2sccc2C1 ZINC000057991776 570705548 /nfs/dbraw/zinc/70/55/48/570705548.db2.gz GMARUQHYELRWFL-QFIPXVFZSA-N 1 2 377.513 3.540 50 0 GHAALO COc1ccc(NC(=O)c2cc3c(n2C)CC[N@H+](Cc2ccc(F)cc2)C3)cc1 ZINC000065211037 570730489 /nfs/dbraw/zinc/73/04/89/570730489.db2.gz BJDVGKRTYMSLLL-UHFFFAOYSA-N 1 2 393.462 3.983 50 0 GHAALO COc1ccc(NC(=O)c2cc3c(n2C)CC[N@@H+](Cc2ccc(F)cc2)C3)cc1 ZINC000065211037 570730493 /nfs/dbraw/zinc/73/04/93/570730493.db2.gz BJDVGKRTYMSLLL-UHFFFAOYSA-N 1 2 393.462 3.983 50 0 GHAALO Cc1ccc(NC(=O)C[NH+]2CCN(c3nc4ccccc4s3)CC2)c(C)c1 ZINC000059644180 570739402 /nfs/dbraw/zinc/73/94/02/570739402.db2.gz AZPZTKFJNDVNBG-UHFFFAOYSA-N 1 2 380.517 3.674 50 0 GHAALO CCOc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)NC3(CCCCCC3)C2=O)cc1 ZINC000052584170 570754274 /nfs/dbraw/zinc/75/42/74/570754274.db2.gz FDUOHTOHQHSLEZ-IBGZPJMESA-N 1 2 385.508 3.825 50 0 GHAALO CCOc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)NC3(CCCCCC3)C2=O)cc1 ZINC000052584170 570754279 /nfs/dbraw/zinc/75/42/79/570754279.db2.gz FDUOHTOHQHSLEZ-IBGZPJMESA-N 1 2 385.508 3.825 50 0 GHAALO C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050196 570764795 /nfs/dbraw/zinc/76/47/95/570764795.db2.gz GGHSJOHATDJJRN-CYBMUJFWSA-N 1 2 395.406 3.931 50 0 GHAALO CSc1ccc(CCNC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000033071057 570802305 /nfs/dbraw/zinc/80/23/05/570802305.db2.gz GEMSFVBTXZFGNF-UHFFFAOYSA-N 1 2 394.544 3.860 50 0 GHAALO CCOc1cc(C[N@H+](C)CC(=O)Nc2ccc(Cl)cn2)ccc1OC(F)F ZINC000032825453 570839883 /nfs/dbraw/zinc/83/98/83/570839883.db2.gz BQAHPNDSEGLTSQ-UHFFFAOYSA-N 1 2 399.825 3.806 50 0 GHAALO CCOc1cc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)cn2)ccc1OC(F)F ZINC000032825453 570839888 /nfs/dbraw/zinc/83/98/88/570839888.db2.gz BQAHPNDSEGLTSQ-UHFFFAOYSA-N 1 2 399.825 3.806 50 0 GHAALO O=C(NCCCCOc1ccc(Cl)cc1)NCCc1cn2ccccc2[nH+]1 ZINC000012544626 570845477 /nfs/dbraw/zinc/84/54/77/570845477.db2.gz ONZRLHIWBZHORO-UHFFFAOYSA-N 1 2 386.883 3.689 50 0 GHAALO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000012558109 570860171 /nfs/dbraw/zinc/86/01/71/570860171.db2.gz IPIOODYYTGFAKD-MRXNPFEDSA-N 1 2 387.911 3.806 50 0 GHAALO Cc1oc(-c2ccccc2)nc1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000032900414 570894571 /nfs/dbraw/zinc/89/45/71/570894571.db2.gz MJNRTJUUXSOTRD-UHFFFAOYSA-N 1 2 381.501 3.598 50 0 GHAALO Cc1cccc2nc([C@H]3CCCN3C(=O)NCCNc3[nH+]cccc3C)[nH]c21 ZINC000534661913 570922119 /nfs/dbraw/zinc/92/21/19/570922119.db2.gz FBYXLCIEKKWTMR-QGZVFWFLSA-N 1 2 378.480 3.533 50 0 GHAALO CCOC(=O)c1cnc(NC[C@H](c2ccc(Cl)cc2)n2cc[nH+]c2)nc1C ZINC000585139184 570951826 /nfs/dbraw/zinc/95/18/26/570951826.db2.gz LRBKOOJLDCOIJZ-QGZVFWFLSA-N 1 2 385.855 3.513 50 0 GHAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000007717084 571019992 /nfs/dbraw/zinc/01/99/92/571019992.db2.gz XKXIDDHTSCFFKF-GOSISDBHSA-N 1 2 376.403 3.758 50 0 GHAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000007717084 571019995 /nfs/dbraw/zinc/01/99/95/571019995.db2.gz XKXIDDHTSCFFKF-GOSISDBHSA-N 1 2 376.403 3.758 50 0 GHAALO O=C(NCc1ccc(Cl)cc1)c1nc(-c2ccc(Cn3cc[nH+]c3)cc2)no1 ZINC000031808795 862697832 /nfs/dbraw/zinc/69/78/32/862697832.db2.gz SELCMPPUGOQRCI-UHFFFAOYSA-N 1 2 393.834 3.565 50 0 GHAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(F)c(F)c1 ZINC000008310308 856107708 /nfs/dbraw/zinc/10/77/08/856107708.db2.gz PYPHHFACBOGJHP-SFHVURJKSA-N 1 2 388.414 3.902 50 0 GHAALO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(F)c(F)c1 ZINC000008310308 856107714 /nfs/dbraw/zinc/10/77/14/856107714.db2.gz PYPHHFACBOGJHP-SFHVURJKSA-N 1 2 388.414 3.902 50 0 GHAALO CCOC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CC[N@H+](C)C2 ZINC000004086902 862769822 /nfs/dbraw/zinc/76/98/22/862769822.db2.gz ZXRFPEFZGCZQFS-UHFFFAOYSA-N 1 2 384.910 3.880 50 0 GHAALO CCOC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CC[N@@H+](C)C2 ZINC000004086902 862769829 /nfs/dbraw/zinc/76/98/29/862769829.db2.gz ZXRFPEFZGCZQFS-UHFFFAOYSA-N 1 2 384.910 3.880 50 0 GHAALO CC(C)NC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC000069843281 857096266 /nfs/dbraw/zinc/09/62/66/857096266.db2.gz XEBJRTMYNYBELI-GOSISDBHSA-N 1 2 391.560 3.768 50 0 GHAALO O=C(C[N@@H+]1CCc2sccc2C1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000070022194 857177095 /nfs/dbraw/zinc/17/70/95/857177095.db2.gz VKPHEJNHPOUHIB-MRXNPFEDSA-N 1 2 381.501 3.654 50 0 GHAALO O=C(C[N@H+]1CCc2sccc2C1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000070022194 857177102 /nfs/dbraw/zinc/17/71/02/857177102.db2.gz VKPHEJNHPOUHIB-MRXNPFEDSA-N 1 2 381.501 3.654 50 0 GHAALO CCN1CC[NH+](Cc2c(=O)c3cc(OC)ccc3[nH]c2-c2ccccc2)CC1 ZINC000019793420 860369063 /nfs/dbraw/zinc/36/90/63/860369063.db2.gz ZHVVTEYPPPJCNL-UHFFFAOYSA-N 1 2 377.488 3.754 50 0 GHAALO COc1c2c(cc3c1[C@@H](CC(=O)c1cc4ccccc4o1)[N@H+](C)CC3)OCO2 ZINC000020112994 860489607 /nfs/dbraw/zinc/48/96/07/860489607.db2.gz DFXCHVQKSWZORX-OAHLLOKOSA-N 1 2 379.412 3.972 50 0 biogenic GHAALO COc1c2c(cc3c1[C@@H](CC(=O)c1cc4ccccc4o1)[N@@H+](C)CC3)OCO2 ZINC000020112994 860489618 /nfs/dbraw/zinc/48/96/18/860489618.db2.gz DFXCHVQKSWZORX-OAHLLOKOSA-N 1 2 379.412 3.972 50 0 biogenic GHAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000022460115 861126266 /nfs/dbraw/zinc/12/62/66/861126266.db2.gz CZMIZBYRPHMXEY-WIYYLYMNSA-N 1 2 385.577 3.862 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@H]1CCN(C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC000575548909 866188894 /nfs/dbraw/zinc/18/88/94/866188894.db2.gz LILIEMYXDAQSAP-KRWDZBQOSA-N 1 2 399.454 3.595 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1CCC1CCN(C(=O)c2cn(C)cn2)CC1 ZINC000581813720 870056943 /nfs/dbraw/zinc/05/69/43/870056943.db2.gz GVGUZMMNSIXOLJ-UHFFFAOYSA-N 1 2 377.492 3.535 50 0 GHAALO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000182423374 872322829 /nfs/dbraw/zinc/32/28/29/872322829.db2.gz UHJRGMIFUQBDRS-OAHLLOKOSA-N 1 2 391.899 3.708 50 0 GHAALO COc1cccc(CC(=O)N2CC[C@H](Cn3c(C)c[nH+]c3-c3ccccc3)C2)c1 ZINC000575557659 878327714 /nfs/dbraw/zinc/32/77/14/878327714.db2.gz HFTDMUGUZZWFLO-FQEVSTJZSA-N 1 2 389.499 3.958 50 0 GHAALO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000007878772 879374984 /nfs/dbraw/zinc/37/49/84/879374984.db2.gz QTAHCXZXCWWKAU-GFCCVEGCSA-N 1 2 387.896 3.540 50 0 GHAALO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000007878772 879374999 /nfs/dbraw/zinc/37/49/99/879374999.db2.gz QTAHCXZXCWWKAU-GFCCVEGCSA-N 1 2 387.896 3.540 50 0 GHAALO Cc1cc(N2CCC[C@@H]3[C@@H](NC(=O)C(C)(F)F)C(C)(C)[C@@H]32)nc(C(C)C)[nH+]1 ZINC000585137737 897818225 /nfs/dbraw/zinc/81/82/25/897818225.db2.gz RJVSSCDNWLERNJ-FVQBIDKESA-N 1 2 380.483 3.673 50 0 GHAALO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccc(OC)c1 ZINC000055369614 924041302 /nfs/dbraw/zinc/04/13/02/924041302.db2.gz HMIJFGSACHNZPM-NRFANRHFSA-N 1 2 391.471 3.685 50 0 GHAALO COC(=O)[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccc(OC)c1 ZINC000055369614 924041315 /nfs/dbraw/zinc/04/13/15/924041315.db2.gz HMIJFGSACHNZPM-NRFANRHFSA-N 1 2 391.471 3.685 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)CC(F)(F)F)csc3C2)nc1 ZINC000426404125 529641809 /nfs/dbraw/zinc/64/18/09/529641809.db2.gz CEAVMVOLIIVQOU-UHFFFAOYSA-N 1 2 397.466 3.898 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)CC(F)(F)F)csc3C2)nc1 ZINC000426404125 529641814 /nfs/dbraw/zinc/64/18/14/529641814.db2.gz CEAVMVOLIIVQOU-UHFFFAOYSA-N 1 2 397.466 3.898 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCCO[C@@H](C)C4)csc3C2)nc1 ZINC000426552227 529642960 /nfs/dbraw/zinc/64/29/60/529642960.db2.gz CTKDNTGKMQYGPY-INIZCTEOSA-N 1 2 399.560 3.515 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCCO[C@@H](C)C4)csc3C2)nc1 ZINC000426552227 529642961 /nfs/dbraw/zinc/64/29/61/529642961.db2.gz CTKDNTGKMQYGPY-INIZCTEOSA-N 1 2 399.560 3.515 50 0 GHAALO Cc1cc2oc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc(=O)c2cc1C ZINC000015859922 210174543 /nfs/dbraw/zinc/17/45/43/210174543.db2.gz XZSHDBPLEODIIT-GOSISDBHSA-N 1 2 394.471 3.960 50 0 GHAALO COc1cc(OC)cc([C@H](Nc2ncnc3sccc32)c2[nH+]ccn2C)c1 ZINC000015525378 210158134 /nfs/dbraw/zinc/15/81/34/210158134.db2.gz RZRKXXCPAXLLCQ-INIZCTEOSA-N 1 2 381.461 3.644 50 0 GHAALO O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1scc2c1OCCO2 ZINC000015079702 210152926 /nfs/dbraw/zinc/15/29/26/210152926.db2.gz YQZVHGDQGBODIP-OAHLLOKOSA-N 1 2 392.908 3.567 50 0 GHAALO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1scc2c1OCCO2 ZINC000015079702 210152931 /nfs/dbraw/zinc/15/29/31/210152931.db2.gz YQZVHGDQGBODIP-OAHLLOKOSA-N 1 2 392.908 3.567 50 0 GHAALO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CCNC(=O)c1cc(Cl)ccc1F)C2 ZINC000014880876 210129092 /nfs/dbraw/zinc/12/90/92/210129092.db2.gz DLTNYQGRFMNDAA-CYBMUJFWSA-N 1 2 392.858 3.501 50 0 GHAALO COc1ccc2c(c1)O[C@H](C)C[N@H+](CCNC(=O)c1cc(Cl)ccc1F)C2 ZINC000014880876 210129096 /nfs/dbraw/zinc/12/90/96/210129096.db2.gz DLTNYQGRFMNDAA-CYBMUJFWSA-N 1 2 392.858 3.501 50 0 GHAALO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)c1ccc2c3c(cccc31)CC2 ZINC000014249814 210113462 /nfs/dbraw/zinc/11/34/62/210113462.db2.gz ZGWLNBMLVSQLIG-HXUWFJFHSA-N 1 2 392.524 3.803 50 0 GHAALO CCCc1ccc([C@@H](C)NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000013323390 210056693 /nfs/dbraw/zinc/05/66/93/210056693.db2.gz RUWRLNQSZWVOBH-GOSISDBHSA-N 1 2 383.511 3.778 50 0 GHAALO CC(C)[N@@H+](Cc1ccccc1)CN1c2ccc(Br)cc2C(=O)C1=O ZINC000013000033 210044133 /nfs/dbraw/zinc/04/41/33/210044133.db2.gz KTSOTTWVZJHKBM-UHFFFAOYSA-N 1 2 387.277 3.847 50 0 GHAALO CC(C)[N@H+](Cc1ccccc1)CN1c2ccc(Br)cc2C(=O)C1=O ZINC000013000033 210044137 /nfs/dbraw/zinc/04/41/37/210044137.db2.gz KTSOTTWVZJHKBM-UHFFFAOYSA-N 1 2 387.277 3.847 50 0 GHAALO CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000012983460 210039361 /nfs/dbraw/zinc/03/93/61/210039361.db2.gz QCVJNYDTXYZHPW-LJQANCHMSA-N 1 2 385.895 3.817 50 0 GHAALO CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000012983460 210039365 /nfs/dbraw/zinc/03/93/65/210039365.db2.gz QCVJNYDTXYZHPW-LJQANCHMSA-N 1 2 385.895 3.817 50 0 GHAALO O=C1CC2(CCCC2)C(=O)N1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000012889232 210023290 /nfs/dbraw/zinc/02/32/90/210023290.db2.gz JKZKWDGRLHZRSR-UHFFFAOYSA-N 1 2 383.517 3.753 50 0 GHAALO C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012876566 210021916 /nfs/dbraw/zinc/02/19/16/210021916.db2.gz GMAFHRMRKJQPJF-AWEZNQCLSA-N 1 2 387.430 3.643 50 0 GHAALO Cc1c2cccc(F)c2oc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000012775004 210006863 /nfs/dbraw/zinc/00/68/63/210006863.db2.gz ZRDMOYQZMSVIAW-UHFFFAOYSA-N 1 2 396.418 3.567 50 0 GHAALO Cc1cc(C)n(-c2nc3sc4c(c3c(-n3cc[nH+]c3)n2)CC(C)(C)OC4)n1 ZINC000012324005 209941355 /nfs/dbraw/zinc/94/13/55/209941355.db2.gz VVAPGTWBLVEOGD-UHFFFAOYSA-N 1 2 380.477 3.531 50 0 GHAALO C[C@@H](O)c1cc(Cl)ccc1Sc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000000717542 209261538 /nfs/dbraw/zinc/26/15/38/209261538.db2.gz XHCDZVYXZIGXKH-CQSZACIVSA-N 1 2 390.936 3.932 50 0 GHAALO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(F)cc3F)[NH+](C)C)no2)cc1 ZINC000252483386 211983332 /nfs/dbraw/zinc/98/33/32/211983332.db2.gz FAFJIUUHHKNTPA-LJQANCHMSA-N 1 2 385.414 3.961 50 0 GHAALO CCN(CC)c1ccc(CNC(=O)c2cc(C)n(-c3nccs3)c2C)c[nH+]1 ZINC000097493581 211365577 /nfs/dbraw/zinc/36/55/77/211365577.db2.gz DDWIRVRIWRUISP-UHFFFAOYSA-N 1 2 383.521 3.722 50 0 GHAALO Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cn1 ZINC000095976286 211290709 /nfs/dbraw/zinc/29/07/09/211290709.db2.gz XJVDPWGYGMWMID-UHFFFAOYSA-N 1 2 394.500 3.598 50 0 GHAALO O=C1OCCN1c1cccc(C[NH2+]Cc2csc(COc3ccccc3)n2)c1 ZINC000095959239 211287822 /nfs/dbraw/zinc/28/78/22/211287822.db2.gz RXLCMIMPHHXIAN-UHFFFAOYSA-N 1 2 395.484 3.969 50 0 GHAALO O=C(Nc1ccccc1F)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095525855 211272525 /nfs/dbraw/zinc/27/25/25/211272525.db2.gz DEDOQSQCOXTSDC-UHFFFAOYSA-N 1 2 379.439 3.877 50 0 GHAALO O=C(NC[C@@H]1CCC[N@H+](Cc2ncccn2)C1)c1ccc(-c2ccccc2)cc1 ZINC000095524131 211268842 /nfs/dbraw/zinc/26/88/42/211268842.db2.gz NVMPGWPSRXAXGJ-IBGZPJMESA-N 1 2 386.499 3.786 50 0 GHAALO O=C(NC[C@@H]1CCC[N@@H+](Cc2ncccn2)C1)c1ccc(-c2ccccc2)cc1 ZINC000095524131 211268845 /nfs/dbraw/zinc/26/88/45/211268845.db2.gz NVMPGWPSRXAXGJ-IBGZPJMESA-N 1 2 386.499 3.786 50 0 GHAALO COc1cccc(-c2nc3ccc(C(=O)NCCCn4cc[nH+]c4)cc3o2)c1 ZINC000095500335 211252339 /nfs/dbraw/zinc/25/23/39/211252339.db2.gz DCTGTVFQQBYAON-UHFFFAOYSA-N 1 2 376.416 3.520 50 0 GHAALO C[C@@H](NC(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095350797 211222042 /nfs/dbraw/zinc/22/20/42/211222042.db2.gz BYNQRZLEZKRIPD-DYESRHJHSA-N 1 2 376.460 3.716 50 0 GHAALO CCOC(=O)C[N@H+](C)Cc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 ZINC000091695407 211203219 /nfs/dbraw/zinc/20/32/19/211203219.db2.gz PKGMJVKFZXPBNU-UHFFFAOYSA-N 1 2 395.425 3.828 50 0 GHAALO CCOC(=O)C[N@@H+](C)Cc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 ZINC000091695407 211203221 /nfs/dbraw/zinc/20/32/21/211203221.db2.gz PKGMJVKFZXPBNU-UHFFFAOYSA-N 1 2 395.425 3.828 50 0 GHAALO Cc1ccc2[nH]c(C[NH+]3CCC4(CC3)Nc3ccccc3NC4=O)nc2c1C ZINC000082147906 211161088 /nfs/dbraw/zinc/16/10/88/211161088.db2.gz SSSJEHNNFFHWKN-UHFFFAOYSA-N 1 2 375.476 3.579 50 0 GHAALO Cc1ccc2nc(C[NH+]3CCC4(CC3)Nc3ccccc3NC4=O)[nH]c2c1C ZINC000082147906 211161091 /nfs/dbraw/zinc/16/10/91/211161091.db2.gz SSSJEHNNFFHWKN-UHFFFAOYSA-N 1 2 375.476 3.579 50 0 GHAALO COc1c(C)c[nH+]c(CN(c2nccs2)S(=O)(=O)c2ccccc2)c1C ZINC000079306597 211156032 /nfs/dbraw/zinc/15/60/32/211156032.db2.gz VSELUKKVUHWXGH-UHFFFAOYSA-N 1 2 389.502 3.559 50 0 GHAALO Fc1ccc([C@@H]2CN(Cc3ccccc3OCCn3cc[nH+]c3)CCO2)cc1 ZINC000071765522 211060402 /nfs/dbraw/zinc/06/04/02/211060402.db2.gz NIGMWGBZMFKETJ-QFIPXVFZSA-N 1 2 381.451 3.675 50 0 GHAALO C[C@H](c1cccc2ccccc21)N(C)C(=O)c1cc(C[NH+]2CCC(O)CC2)on1 ZINC000067841178 211024684 /nfs/dbraw/zinc/02/46/84/211024684.db2.gz KHJDFCATGWIYPX-MRXNPFEDSA-N 1 2 393.487 3.618 50 0 GHAALO CCn1cc[nH+]c1CN1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067692106 211017987 /nfs/dbraw/zinc/01/79/87/211017987.db2.gz GBLSVIBXDUFZJU-UHFFFAOYSA-N 1 2 384.867 3.719 50 0 GHAALO Fc1ccccc1[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC2(CC1)OCCO2 ZINC000063648885 210934130 /nfs/dbraw/zinc/93/41/30/210934130.db2.gz SANWUWBGYOVRQH-IBGZPJMESA-N 1 2 395.434 3.804 50 0 GHAALO Cc1nc(Nc2ccc(NC(=O)C3CCCCC3)cc2)cc(N2CCOCC2)[nH+]1 ZINC000021794421 210393074 /nfs/dbraw/zinc/39/30/74/210393074.db2.gz YFZNHLURIJZZOX-UHFFFAOYSA-N 1 2 395.507 3.884 50 0 GHAALO Fc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc4c(c2)OCCO4)C3)cc1 ZINC000021039015 210374863 /nfs/dbraw/zinc/37/48/63/210374863.db2.gz YOMNQKHVXMEIEQ-UHFFFAOYSA-N 1 2 392.434 3.689 50 0 GHAALO Fc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccc4c(c2)OCCO4)C3)cc1 ZINC000021039015 210374867 /nfs/dbraw/zinc/37/48/67/210374867.db2.gz YOMNQKHVXMEIEQ-UHFFFAOYSA-N 1 2 392.434 3.689 50 0 GHAALO COc1cccc(C[NH+]2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000020599878 210350537 /nfs/dbraw/zinc/35/05/37/210350537.db2.gz PKVHXNIFDBPTJN-UHFFFAOYSA-N 1 2 398.894 3.716 50 0 GHAALO COc1ccc(C(=O)NC[C@H](c2cccnc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020486064 210339192 /nfs/dbraw/zinc/33/91/92/210339192.db2.gz QDDHSCVJGJXHAX-HSZRJFAPSA-N 1 2 387.483 3.620 50 0 GHAALO COc1ccc(C(=O)NC[C@H](c2cccnc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000020486064 210339194 /nfs/dbraw/zinc/33/91/94/210339194.db2.gz QDDHSCVJGJXHAX-HSZRJFAPSA-N 1 2 387.483 3.620 50 0 GHAALO CCCCn1c2ccc(C)cc2c2nnc(SCC[NH+]3CCOCC3)nc21 ZINC000020419491 210334453 /nfs/dbraw/zinc/33/44/53/210334453.db2.gz WXPOXFWEQBDFCI-UHFFFAOYSA-N 1 2 385.537 3.512 50 0 GHAALO C[N@@H+]1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4F)c(N)c3cc2C1 ZINC000019853421 210301319 /nfs/dbraw/zinc/30/13/19/210301319.db2.gz BDMIBHNEUPMQAH-UHFFFAOYSA-N 1 2 390.871 3.911 50 0 GHAALO C[N@H+]1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4F)c(N)c3cc2C1 ZINC000019853421 210301322 /nfs/dbraw/zinc/30/13/22/210301322.db2.gz BDMIBHNEUPMQAH-UHFFFAOYSA-N 1 2 390.871 3.911 50 0 GHAALO C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000058124064 136154354 /nfs/dbraw/zinc/15/43/54/136154354.db2.gz XOGSCCWLNOPWCM-HNNXBMFYSA-N 1 2 388.309 3.598 50 0 GHAALO Cc1ccc(NC(=O)Cn2cc[nH+]c2-c2ccnc(N3CCCCC3)c2)cc1 ZINC000065220541 136160233 /nfs/dbraw/zinc/16/02/33/136160233.db2.gz RAYPSQTXMIMBLZ-UHFFFAOYSA-N 1 2 375.476 3.883 50 0 GHAALO CC1CCN(c2cc(-c3[nH+]ccn3CC(=O)NC3CCCCC3)ccn2)CC1 ZINC000065220584 136160287 /nfs/dbraw/zinc/16/02/87/136160287.db2.gz XPPMNSBMALKCCH-UHFFFAOYSA-N 1 2 381.524 3.630 50 0 GHAALO Cc1cc(N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)[nH+]c2ccccc12 ZINC000095389226 136179010 /nfs/dbraw/zinc/17/90/10/136179010.db2.gz WOYCRYOMKOSIBJ-IBGZPJMESA-N 1 2 393.531 3.931 50 0 GHAALO O=C(CCCSc1nc2ccccc2s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000006434889 136195140 /nfs/dbraw/zinc/19/51/40/136195140.db2.gz CONAQBXDHRYPHF-UHFFFAOYSA-N 1 2 398.557 3.912 50 0 GHAALO COc1cccc(N2CC[NH+](Cc3ccc(OC)c(Br)c3)CC2)c1 ZINC000007356105 136197069 /nfs/dbraw/zinc/19/70/69/136197069.db2.gz SHQFVIVDQWGNDJ-UHFFFAOYSA-N 1 2 391.309 3.789 50 0 GHAALO CCC(=O)Nc1ccc(F)c(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c1 ZINC000426642848 528429973 /nfs/dbraw/zinc/42/99/73/528429973.db2.gz DCQRXRMXVBZMAH-MRXNPFEDSA-N 1 2 375.448 3.607 50 0 GHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)Nc3ccc(OCC)cc3)C2)nc[nH+]1 ZINC000065245047 535520836 /nfs/dbraw/zinc/52/08/36/535520836.db2.gz SRHJGIHQAKWTFI-KRWDZBQOSA-N 1 2 397.523 3.942 50 0 GHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)Nc3ccc(OCC)cc3)C2)[nH+]cn1 ZINC000065245047 535520840 /nfs/dbraw/zinc/52/08/40/535520840.db2.gz SRHJGIHQAKWTFI-KRWDZBQOSA-N 1 2 397.523 3.942 50 0 GHAALO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000054225173 536576384 /nfs/dbraw/zinc/57/63/84/536576384.db2.gz DJAXBCUNUUPYLZ-UHFFFAOYSA-N 1 2 387.911 3.726 50 0 GHAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(F)cc(F)c2)c(OC)c1 ZINC000012806951 570221423 /nfs/dbraw/zinc/22/14/23/570221423.db2.gz SWJZZBJGXOIBET-GOSISDBHSA-N 1 2 376.403 3.758 50 0 GHAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(F)cc(F)c2)c(OC)c1 ZINC000012806951 570221425 /nfs/dbraw/zinc/22/14/25/570221425.db2.gz SWJZZBJGXOIBET-GOSISDBHSA-N 1 2 376.403 3.758 50 0 GHAALO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000048341788 570239560 /nfs/dbraw/zinc/23/95/60/570239560.db2.gz RHSKAJQKOFVQCU-JOCHJYFZSA-N 1 2 398.503 3.556 50 0 GHAALO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022915939 570335152 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CCc1cc2c(C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc(=O)oc2cc1O ZINC000025638425 570417383 /nfs/dbraw/zinc/41/73/83/570417383.db2.gz AYMLWBQNIDJVFD-UHFFFAOYSA-N 1 2 395.455 3.637 50 0 GHAALO CCc1cc2c(C[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc(=O)oc2cc1O ZINC000025638425 570417385 /nfs/dbraw/zinc/41/73/85/570417385.db2.gz AYMLWBQNIDJVFD-UHFFFAOYSA-N 1 2 395.455 3.637 50 0 GHAALO Cc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC000035769337 570443238 /nfs/dbraw/zinc/44/32/38/570443238.db2.gz UZMIPXKANWTQQH-UHFFFAOYSA-N 1 2 395.551 3.623 50 0 GHAALO CC(C)c1noc([C@@H](C)[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)n1 ZINC000027822989 570443806 /nfs/dbraw/zinc/44/38/06/570443806.db2.gz GIRCSTFILSWDDM-CQSZACIVSA-N 1 2 385.464 3.620 50 0 GHAALO CCc1nc2sc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)c(C)c2c(C)n1 ZINC000030030727 570485456 /nfs/dbraw/zinc/48/54/56/570485456.db2.gz HSGNBSUCPMOGFD-QGZVFWFLSA-N 1 2 394.544 3.999 50 0 GHAALO CCc1nc2sc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)c(C)c2c(C)n1 ZINC000030030727 570485459 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O=C(Nc1cccc2c1CCCC2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000040098180 856660757 /nfs/dbraw/zinc/66/07/57/856660757.db2.gz ANIDQYWWJHUOAW-UHFFFAOYSA-N 1 2 379.504 3.794 50 0 GHAALO C[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2Cl)CC1 ZINC000009251240 857017102 /nfs/dbraw/zinc/01/71/02/857017102.db2.gz CSFYIVWFJSTNOJ-UHFFFAOYSA-N 1 2 397.862 3.726 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1C[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000581807721 870038859 /nfs/dbraw/zinc/03/88/59/870038859.db2.gz MPXWAHZQOOHAFJ-HXUWFJFHSA-N 1 2 389.503 3.875 50 0 GHAALO COc1ccc(-n2ccnc2C[NH+]2CCC([C@H](O)c3cccs3)CC2)cc1 ZINC000952991830 904665828 /nfs/dbraw/zinc/66/58/28/904665828.db2.gz SVIGOHVZRFBJRG-NRFANRHFSA-N 1 2 383.517 3.888 50 0 GHAALO COc1ccc(Br)cc1CN1CC[NH+](Cc2ccccc2F)CC1 ZINC000019361691 210244260 /nfs/dbraw/zinc/24/42/60/210244260.db2.gz CRIKDMBEQQDUCU-UHFFFAOYSA-N 1 2 393.300 3.915 50 0 GHAALO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C(=S)NC3CC3)CC2)cc1 ZINC000019312271 210239935 /nfs/dbraw/zinc/23/99/35/210239935.db2.gz 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O=C(c1ccccc1)[C@H]1CCC[N@H+](Cc2nc(COc3ccccc3)no2)C1 ZINC000014974800 210137544 /nfs/dbraw/zinc/13/75/44/210137544.db2.gz DTGDWNQJRLXINF-SFHVURJKSA-N 1 2 377.444 3.744 50 0 GHAALO O=C(c1ccccc1)[C@H]1CCC[N@@H+](Cc2nc(COc3ccccc3)no2)C1 ZINC000014974800 210137545 /nfs/dbraw/zinc/13/75/45/210137545.db2.gz DTGDWNQJRLXINF-SFHVURJKSA-N 1 2 377.444 3.744 50 0 GHAALO O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccon2)CC1 ZINC000014960350 210133617 /nfs/dbraw/zinc/13/36/17/210133617.db2.gz UHCVTJFAODZUDE-UHFFFAOYSA-N 1 2 393.491 3.670 50 0 GHAALO COc1ccc(C=CC(=O)NCCc2c[nH]c(-c3ccc(C)cc3)[nH+]2)cc1OC ZINC000013608440 210072765 /nfs/dbraw/zinc/07/27/65/210072765.db2.gz WOFOWUQPIWUYRB-YRNVUSSQSA-N 1 2 391.471 3.774 50 0 GHAALO COc1ccc(C=CC(=O)NCCc2c[nH+]c(-c3ccc(C)cc3)[nH]2)cc1OC ZINC000013608440 210072768 /nfs/dbraw/zinc/07/27/68/210072768.db2.gz WOFOWUQPIWUYRB-YRNVUSSQSA-N 1 2 391.471 3.774 50 0 GHAALO C[N@H+](Cc1cccc(F)c1)Cc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000012974845 210037977 /nfs/dbraw/zinc/03/79/77/210037977.db2.gz GNMQBRFCCLKLIA-UHFFFAOYSA-N 1 2 377.419 3.809 50 0 GHAALO C[N@@H+](Cc1cccc(F)c1)Cc1nc2ccccc2c(=O)n1Cc1ccco1 ZINC000012974845 210037980 /nfs/dbraw/zinc/03/79/80/210037980.db2.gz GNMQBRFCCLKLIA-UHFFFAOYSA-N 1 2 377.419 3.809 50 0 GHAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccnn1Cc1ccccc1Cl ZINC000012916299 210027225 /nfs/dbraw/zinc/02/72/25/210027225.db2.gz BRYQJMJJIYUDED-UHFFFAOYSA-N 1 2 380.879 3.582 50 0 GHAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccnn1Cc1ccccc1Cl ZINC000012916299 210027230 /nfs/dbraw/zinc/02/72/30/210027230.db2.gz BRYQJMJJIYUDED-UHFFFAOYSA-N 1 2 380.879 3.582 50 0 GHAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cc(F)cc(F)c1 ZINC000012771425 210005122 /nfs/dbraw/zinc/00/51/22/210005122.db2.gz MRXGVSSVUROQLT-SFHVURJKSA-N 1 2 388.414 3.902 50 0 GHAALO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1cc(F)cc(F)c1 ZINC000012771425 210005124 /nfs/dbraw/zinc/00/51/24/210005124.db2.gz MRXGVSSVUROQLT-SFHVURJKSA-N 1 2 388.414 3.902 50 0 GHAALO Clc1ccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccccc3)CC2)cc1 ZINC000002376103 209360482 /nfs/dbraw/zinc/36/04/82/209360482.db2.gz FNTMFQKNZRVBPM-UHFFFAOYSA-N 1 2 390.878 3.796 50 0 GHAALO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1Nc1ccc(C(=O)OC)cc1 ZINC000000948638 209227115 /nfs/dbraw/zinc/22/71/15/209227115.db2.gz XNWAKTIUXHTPLF-UHFFFAOYSA-N 1 2 380.400 3.950 50 0 biogenic GHAALO O=C(/C=C/c1ccccc1Cl)NC[C@@H](c1ccoc1)[NH+]1CCSCC1 ZINC000253394082 209217416 /nfs/dbraw/zinc/21/74/16/209217416.db2.gz ACCWAADYQGIZTF-QWNKOJSDSA-N 1 2 376.909 3.853 50 0 GHAALO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000229423317 209188574 /nfs/dbraw/zinc/18/85/74/209188574.db2.gz NGABRZLRJPAUDO-GDBMZVCRSA-N 1 2 395.931 3.917 50 0 GHAALO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000229423317 209188570 /nfs/dbraw/zinc/18/85/70/209188570.db2.gz NGABRZLRJPAUDO-GDBMZVCRSA-N 1 2 395.931 3.917 50 0 GHAALO Cc1nn(C)c(C)c1NC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000022838360 211781810 /nfs/dbraw/zinc/78/18/10/211781810.db2.gz ULIXVWQRFSGLFS-UHFFFAOYSA-N 1 2 389.459 3.824 50 0 GHAALO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000096781183 211347786 /nfs/dbraw/zinc/34/77/86/211347786.db2.gz UPGIELPGEYXOKG-VLPXJWCASA-N 1 2 391.559 3.626 50 0 GHAALO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000096781183 211347792 /nfs/dbraw/zinc/34/77/92/211347792.db2.gz UPGIELPGEYXOKG-VLPXJWCASA-N 1 2 391.559 3.626 50 0 GHAALO Cn1c(CCCCCNC(=O)c2c[nH]c(=O)c3ccccc23)[nH+]c2ccccc21 ZINC000096231853 211321228 /nfs/dbraw/zinc/32/12/28/211321228.db2.gz HIPCMBPNPHPKPR-UHFFFAOYSA-N 1 2 388.471 3.558 50 0 GHAALO Cc1cccc(CC(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095529072 211274581 /nfs/dbraw/zinc/27/45/81/211274581.db2.gz NZSXNAJWIZXPCJ-GOSISDBHSA-N 1 2 380.517 3.645 50 0 GHAALO Cc1nc2sccn2c1C(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000095502134 211255534 /nfs/dbraw/zinc/25/55/34/211255534.db2.gz CLYZZJDIDMTVCI-UHFFFAOYSA-N 1 2 383.521 3.721 50 0 GHAALO CCCCc1ccnc(NC(=O)NCc2[nH+]ccn2CCCc2ccccc2)n1 ZINC000095446379 211240858 /nfs/dbraw/zinc/24/08/58/211240858.db2.gz GZXVBCXCKPRRAU-UHFFFAOYSA-N 1 2 392.507 3.970 50 0 GHAALO Cc1cccc(C)c1-n1nnnc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000095399453 211238526 /nfs/dbraw/zinc/23/85/26/211238526.db2.gz OESZQXPNCKFVHG-SFHVURJKSA-N 1 2 393.466 3.513 50 0 GHAALO Cc1cccc(C)c1-n1nnnc1C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000095399453 211238529 /nfs/dbraw/zinc/23/85/29/211238529.db2.gz OESZQXPNCKFVHG-SFHVURJKSA-N 1 2 393.466 3.513 50 0 GHAALO O=C(c1cn2cc(Cl)ccc2n1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095381450 211232700 /nfs/dbraw/zinc/23/27/00/211232700.db2.gz SLAYWNFESTXBMI-UHFFFAOYSA-N 1 2 383.883 3.614 50 0 GHAALO COc1ccc(CN(C(=O)c2ccc3[nH+]ccn3c2)C2CCCC2)c(OC)c1 ZINC000091737497 211205583 /nfs/dbraw/zinc/20/55/83/211205583.db2.gz SJKHFUWOTMIJFX-UHFFFAOYSA-N 1 2 379.460 3.937 50 0 GHAALO COC(=O)N1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000089913783 211185356 /nfs/dbraw/zinc/18/53/56/211185356.db2.gz RSVINHXHAGMIQC-NSHDSACASA-N 1 2 399.278 3.879 50 0 GHAALO COC(=O)N1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000089913783 211185358 /nfs/dbraw/zinc/18/53/58/211185358.db2.gz RSVINHXHAGMIQC-NSHDSACASA-N 1 2 399.278 3.879 50 0 GHAALO Cc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(F)c(F)c2)CCC[N@@H+](C)C1 ZINC000085393369 211176441 /nfs/dbraw/zinc/17/64/41/211176441.db2.gz XTFUDTDADYWUDW-UHFFFAOYSA-N 1 2 390.455 3.843 50 0 GHAALO Cc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(F)c(F)c2)CCC[N@H+](C)C1 ZINC000085393369 211176444 /nfs/dbraw/zinc/17/64/44/211176444.db2.gz XTFUDTDADYWUDW-UHFFFAOYSA-N 1 2 390.455 3.843 50 0 GHAALO COc1ccccc1-c1nc2c(OC)ccc(OC)c2cc1C[NH+]1CCOCC1 ZINC000072424715 211115662 /nfs/dbraw/zinc/11/56/62/211115662.db2.gz KCJIIJYISARLPK-UHFFFAOYSA-N 1 2 394.471 3.760 50 0 GHAALO CC[C@@](C)([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1nccs1 ZINC000072305185 211086553 /nfs/dbraw/zinc/08/65/53/211086553.db2.gz MYKCHXRBKSYHBJ-OAHLLOKOSA-N 1 2 382.415 3.553 50 0 GHAALO COc1ccc(OC)c(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccc(Cl)nc2)c1 ZINC000071771525 211062657 /nfs/dbraw/zinc/06/26/57/211062657.db2.gz HAWGJQFIPXBPAZ-FQEVSTJZSA-N 1 2 384.867 3.623 50 0 GHAALO CCN(Cc1ccccc1)C(=O)c1cc(C[N@@H+]2CCc3ccccc3C2)on1 ZINC000067872795 211027230 /nfs/dbraw/zinc/02/72/30/211027230.db2.gz AVGKFKOVSFSOOP-UHFFFAOYSA-N 1 2 375.472 3.895 50 0 GHAALO CCN(Cc1ccccc1)C(=O)c1cc(C[N@H+]2CCc3ccccc3C2)on1 ZINC000067872795 211027236 /nfs/dbraw/zinc/02/72/36/211027236.db2.gz AVGKFKOVSFSOOP-UHFFFAOYSA-N 1 2 375.472 3.895 50 0 GHAALO CCc1c[nH+]c(C)nc1N1CCC(n2nccc2NC(=O)C2CCCC2)CC1 ZINC000067846830 211025820 /nfs/dbraw/zinc/02/58/20/211025820.db2.gz SALAUXXIULOBKO-UHFFFAOYSA-N 1 2 382.512 3.514 50 0 GHAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1ccc2cc[nH]c2c1 ZINC000067446784 211009617 /nfs/dbraw/zinc/00/96/17/211009617.db2.gz MXDYVHDVJFUMCO-UHFFFAOYSA-N 1 2 385.471 3.567 50 0 GHAALO S=c1n(-c2ccccc2)cnn1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022918113 210428230 /nfs/dbraw/zinc/42/82/30/210428230.db2.gz JRXMEQVAPATNHP-UHFFFAOYSA-N 1 2 399.951 3.832 50 0 GHAALO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccccc4)CC3)[nH+]c(C)n2)cc1 ZINC000021793898 210393743 /nfs/dbraw/zinc/39/37/43/210393743.db2.gz HAUAUEAHBFXTJZ-UHFFFAOYSA-N 1 2 387.487 3.799 50 0 GHAALO Cc1ccccc1N(C)C(=O)C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1 ZINC000021534570 210383415 /nfs/dbraw/zinc/38/34/15/210383415.db2.gz DUAXSSRNVQMARL-UHFFFAOYSA-N 1 2 386.499 3.933 50 0 GHAALO Cc1ccccc1N(C)C(=O)C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1 ZINC000021534570 210383422 /nfs/dbraw/zinc/38/34/22/210383422.db2.gz DUAXSSRNVQMARL-UHFFFAOYSA-N 1 2 386.499 3.933 50 0 GHAALO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1 ZINC000021475954 210381852 /nfs/dbraw/zinc/38/18/52/210381852.db2.gz BTZCFPHXVPUCLR-UHFFFAOYSA-N 1 2 375.472 3.592 50 0 GHAALO CCOc1ccc(CN2CC[N@H+](Cc3ccccc3Cl)C[C@@H]2CCO)cc1 ZINC000020906687 210369063 /nfs/dbraw/zinc/36/90/63/210369063.db2.gz ZUIKILZQJZUZGN-FQEVSTJZSA-N 1 2 388.939 3.808 50 0 GHAALO CCOc1ccc(CN2CC[N@@H+](Cc3ccccc3Cl)C[C@@H]2CCO)cc1 ZINC000020906687 210369069 /nfs/dbraw/zinc/36/90/69/210369069.db2.gz ZUIKILZQJZUZGN-FQEVSTJZSA-N 1 2 388.939 3.808 50 0 GHAALO CN(Cc1ccsc1)c1ccc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)cn1 ZINC000020212389 210324875 /nfs/dbraw/zinc/32/48/75/210324875.db2.gz BWLALGYZLORFQM-QGZVFWFLSA-N 1 2 395.532 3.528 50 0 GHAALO CCOC(=O)Cn1c2ccccc2n(CCOc2cccc3ccccc32)c1=[NH2+] ZINC000020130029 210318472 /nfs/dbraw/zinc/31/84/72/210318472.db2.gz BQYPIWVMUQHRPT-UHFFFAOYSA-N 1 2 389.455 3.718 50 0 GHAALO CCc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cccnc2)cc1 ZINC000020107740 210316483 /nfs/dbraw/zinc/31/64/83/210316483.db2.gz WJHRGJNBHZFIAR-UHFFFAOYSA-N 1 2 398.576 3.565 50 0 GHAALO Cc1ccccc1OC[C@@H](O)Cn1c2ccccc2n(Cc2ccccc2)c1=[NH2+] ZINC000020059836 210314684 /nfs/dbraw/zinc/31/46/84/210314684.db2.gz FGBRKEJLQWBLQX-FQEVSTJZSA-N 1 2 387.483 3.719 50 0 GHAALO C[N@@H+]1CCc2c(sc3ncn4nc(-c5cc6ccccc6cc5O)nc4c23)C1 ZINC000020023501 210312176 /nfs/dbraw/zinc/31/21/76/210312176.db2.gz UCUUAPWEMZSRTO-UHFFFAOYSA-N 1 2 387.468 3.853 50 0 GHAALO C[N@H+]1CCc2c(sc3ncn4nc(-c5cc6ccccc6cc5O)nc4c23)C1 ZINC000020023501 210312180 /nfs/dbraw/zinc/31/21/80/210312180.db2.gz UCUUAPWEMZSRTO-UHFFFAOYSA-N 1 2 387.468 3.853 50 0 GHAALO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019913956 210306753 /nfs/dbraw/zinc/30/67/53/210306753.db2.gz ALJPKNJLMSPVIO-UHFFFAOYSA-N 1 2 393.270 3.680 50 0 GHAALO CC(C)Cc1cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)n[nH]1 ZINC000019884487 210305351 /nfs/dbraw/zinc/30/53/51/210305351.db2.gz KSBXGKKMEATHIR-NRFANRHFSA-N 1 2 399.558 3.534 50 0 GHAALO CC(C)Cc1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)[nH]n1 ZINC000019884487 210305354 /nfs/dbraw/zinc/30/53/54/210305354.db2.gz KSBXGKKMEATHIR-NRFANRHFSA-N 1 2 399.558 3.534 50 0 GHAALO CC(C)Cc1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)[nH]n1 ZINC000019884487 210305359 /nfs/dbraw/zinc/30/53/59/210305359.db2.gz KSBXGKKMEATHIR-NRFANRHFSA-N 1 2 399.558 3.534 50 0 GHAALO COc1cc(C[N@@H+]2CCc3[nH]nc(-c4cccc(F)c4)c3C2)cc2c1OCO2 ZINC000019757325 210294062 /nfs/dbraw/zinc/29/40/62/210294062.db2.gz PLHDFRGEMHPURB-UHFFFAOYSA-N 1 2 381.407 3.511 50 0 GHAALO COc1cc(C[N@H+]2CCc3[nH]nc(-c4cccc(F)c4)c3C2)cc2c1OCO2 ZINC000019757325 210294066 /nfs/dbraw/zinc/29/40/66/210294066.db2.gz PLHDFRGEMHPURB-UHFFFAOYSA-N 1 2 381.407 3.511 50 0 GHAALO O=C(CCc1cc[nH+]c(N2CCCC2)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000065269610 136162290 /nfs/dbraw/zinc/16/22/90/136162290.db2.gz BTENDXXRTTVZSK-UHFFFAOYSA-N 1 2 398.938 3.617 50 0 GHAALO CCN(CC)c1cc(CCC(=O)N2CCN(c3ccccc3C)CC2)cc[nH+]1 ZINC000065270077 136162310 /nfs/dbraw/zinc/16/23/10/136162310.db2.gz QJMGVGHGPHIRRT-UHFFFAOYSA-N 1 2 380.536 3.518 50 0 GHAALO CC/C=C/CC(=O)NCc1ccc[nH+]c1N1CCN(c2ccccc2C)CC1 ZINC000067675924 136164857 /nfs/dbraw/zinc/16/48/57/136164857.db2.gz LSSKHIHPWXFZGZ-SNAWJCMRSA-N 1 2 378.520 3.689 50 0 GHAALO CCC(=O)N1CCN(c2nc(CC(C)C)[nH+]c(C)c2Cc2ccc(C)cc2)CC1 ZINC000096317321 136186429 /nfs/dbraw/zinc/18/64/29/136186429.db2.gz IAKAGOWPJNQYDM-UHFFFAOYSA-N 1 2 394.563 3.941 50 0 GHAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1cccc(-c2ccc3c(c2)CC(=O)N3)c1 ZINC000426535399 528154763 /nfs/dbraw/zinc/15/47/63/528154763.db2.gz FKDIOALVXMOMKC-UHFFFAOYSA-N 1 2 388.471 3.634 50 0 GHAALO Cc1cc(Br)c(O)c(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000047830911 570214957 /nfs/dbraw/zinc/21/49/57/570214957.db2.gz RJWZLSNGWYHSML-UHFFFAOYSA-N 1 2 386.249 3.960 50 0 GHAALO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000048253338 570227284 /nfs/dbraw/zinc/22/72/84/570227284.db2.gz WVSAIGWZYRQYAE-SFHVURJKSA-N 1 2 376.460 3.511 50 0 GHAALO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000048253338 570227285 /nfs/dbraw/zinc/22/72/85/570227285.db2.gz WVSAIGWZYRQYAE-SFHVURJKSA-N 1 2 376.460 3.511 50 0 GHAALO Cc1[nH]c2ccc(C(=O)Nc3cccc(C[NH+]4CCN(C)CC4)c3)cc2c1C ZINC000048365872 570245915 /nfs/dbraw/zinc/24/59/15/570245915.db2.gz AZGXYCCWQBXZJH-UHFFFAOYSA-N 1 2 376.504 3.784 50 0 GHAALO O=C(C[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1)Nc1ccccc1-c1ccccc1 ZINC000048375322 570249517 /nfs/dbraw/zinc/24/95/17/570249517.db2.gz OAHJBWJJHBLPNW-SFTDATJTSA-N 1 2 394.515 3.952 50 0 GHAALO Cc1cccc2[nH+]c(CNC(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)cn21 ZINC000069480034 570255854 /nfs/dbraw/zinc/25/58/54/570255854.db2.gz MIPUXASVGISQSZ-FQEVSTJZSA-N 1 2 378.476 3.534 50 0 GHAALO CC[N@H+](CCCNC(=O)CCc1nc(-c2ccccc2F)no1)c1ccccc1 ZINC000004821654 570288438 /nfs/dbraw/zinc/28/84/38/570288438.db2.gz WPNPTZMIGTWHID-UHFFFAOYSA-N 1 2 396.466 3.841 50 0 GHAALO CC[N@@H+](CCCNC(=O)CCc1nc(-c2ccccc2F)no1)c1ccccc1 ZINC000004821654 570288439 /nfs/dbraw/zinc/28/84/39/570288439.db2.gz WPNPTZMIGTWHID-UHFFFAOYSA-N 1 2 396.466 3.841 50 0 GHAALO Cc1nn2c(nc(C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)cc2=O)s1 ZINC000043273082 570298405 /nfs/dbraw/zinc/29/84/05/570298405.db2.gz ZSWLISIARJXAHF-IBGZPJMESA-N 1 2 394.525 3.669 50 0 GHAALO Cc1nn2c(nc(C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)cc2=O)s1 ZINC000043273082 570298407 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570471769 /nfs/dbraw/zinc/47/17/69/570471769.db2.gz VIMAOSIPSJQHAB-MCBXIFIFSA-N 1 2 383.945 3.928 50 0 GHAALO O=C(Cn1c2ccccc2[nH+]c1NCCO)Nc1ccccc1-c1ccccc1 ZINC000005185455 570497685 /nfs/dbraw/zinc/49/76/85/570497685.db2.gz RGJLYLZMYTTXHD-UHFFFAOYSA-N 1 2 386.455 3.746 50 0 GHAALO O=C(C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1ccccc1Sc1ccccc1 ZINC000225451622 570575455 /nfs/dbraw/zinc/57/54/55/570575455.db2.gz UUUUQJQWWAEUMK-INIZCTEOSA-N 1 2 393.516 3.774 50 0 GHAALO O=C(C[N@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1ccccc1Sc1ccccc1 ZINC000225451622 570575459 /nfs/dbraw/zinc/57/54/59/570575459.db2.gz UUUUQJQWWAEUMK-INIZCTEOSA-N 1 2 393.516 3.774 50 0 GHAALO CC[N@H+](CCn1cccn1)Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1 ZINC000011817504 570585051 /nfs/dbraw/zinc/58/50/51/570585051.db2.gz CIGIIVQVOWUOHH-UHFFFAOYSA-N 1 2 379.508 3.957 50 0 GHAALO CC[N@@H+](CCn1cccn1)Cc1nc(C2(c3ccc(C)cc3)CCCC2)no1 ZINC000011817504 570585054 /nfs/dbraw/zinc/58/50/54/570585054.db2.gz CIGIIVQVOWUOHH-UHFFFAOYSA-N 1 2 379.508 3.957 50 0 GHAALO Cc1cccc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)CC(C)C)CC2)c1 ZINC000036311475 570609828 /nfs/dbraw/zinc/60/98/28/570609828.db2.gz DLWIDZIMOIXCON-JOCHJYFZSA-N 1 2 385.552 3.683 50 0 GHAALO COc1ccccc1N1CCN(c2nc(N3CCCC3)c3ccccc3[nH+]2)CC1 ZINC000041148352 570615570 /nfs/dbraw/zinc/61/55/70/570615570.db2.gz IULLYDXAGYSGRF-UHFFFAOYSA-N 1 2 389.503 3.565 50 0 GHAALO COc1cc(C[N@@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)cc(OC)c1 ZINC000012162687 570619091 /nfs/dbraw/zinc/61/90/91/570619091.db2.gz VFVHFPSIXOUEKD-UHFFFAOYSA-N 1 2 392.455 3.866 50 0 GHAALO COc1cc(C[N@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)cc(OC)c1 ZINC000012162687 570619093 /nfs/dbraw/zinc/61/90/93/570619093.db2.gz VFVHFPSIXOUEKD-UHFFFAOYSA-N 1 2 392.455 3.866 50 0 GHAALO CCn1c2ccccc2n(CC(=O)Nc2ccc(SC(F)F)cc2)c1=[NH2+] ZINC000169692304 570621565 /nfs/dbraw/zinc/62/15/65/570621565.db2.gz MEPFXOYYOORHIH-UHFFFAOYSA-N 1 2 376.432 3.896 50 0 GHAALO CCn1cc[nH+]c1CN(C)C(=O)c1csc2nc(-c3cccc(F)c3)cn12 ZINC000012444501 570665446 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COc1cccc(NC(=O)[C@@H]([NH2+]Cc2cn3ccccc3n2)c2ccccc2)c1 ZINC000007001896 570737326 /nfs/dbraw/zinc/73/73/26/570737326.db2.gz RRVZUKCCNVGQBG-QFIPXVFZSA-N 1 2 386.455 3.813 50 0 GHAALO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC1 ZINC000052585349 570754161 /nfs/dbraw/zinc/75/41/61/570754161.db2.gz ISLZJANLZCIVBU-UHFFFAOYSA-N 1 2 378.303 3.993 50 0 GHAALO O=C(c1ccco1)N1CCC[C@@]2(C1)Nc1ccccc1NC2=[NH+]C1CCCC1 ZINC000065259955 570761772 /nfs/dbraw/zinc/76/17/72/570761772.db2.gz PQYRTXZWUPOFMP-QFIPXVFZSA-N 1 2 378.476 3.942 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccccc3C)CC2)nc[nH+]1 ZINC000065274253 570776371 /nfs/dbraw/zinc/77/63/71/570776371.db2.gz GVPRRDFYQVOFEA-UHFFFAOYSA-N 1 2 395.551 3.920 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccccc3C)CC2)[nH+]cn1 ZINC000065274253 570776375 /nfs/dbraw/zinc/77/63/75/570776375.db2.gz GVPRRDFYQVOFEA-UHFFFAOYSA-N 1 2 395.551 3.920 50 0 GHAALO C[C@H](Sc1nc2ccccc2o1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022024854 570777749 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GHAALO O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccc(-c2ccccc2F)s1 ZINC000032816474 570829881 /nfs/dbraw/zinc/82/98/81/570829881.db2.gz INKYISATQKELIK-UHFFFAOYSA-N 1 2 397.475 3.716 50 0 GHAALO O=S(=O)(c1ccccc1NCc1cc[nH+]c(N2CCCC2)c1)C(F)(F)F ZINC000032829310 570844259 /nfs/dbraw/zinc/84/42/59/570844259.db2.gz YYGKWIAWFNDOFJ-UHFFFAOYSA-N 1 2 385.411 3.587 50 0 GHAALO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000003415799 570865728 /nfs/dbraw/zinc/86/57/28/570865728.db2.gz AMJASMJOGWCFSM-QFIPXVFZSA-N 1 2 390.462 3.723 50 0 GHAALO CCOC(=O)c1sc2nc(C[N@H+](C)Cc3ccc(C)cc3)nc(N)c2c1C ZINC000012561758 570866242 /nfs/dbraw/zinc/86/62/42/570866242.db2.gz GQMIJWGVIHYIET-UHFFFAOYSA-N 1 2 384.505 3.699 50 0 GHAALO CCOC(=O)c1sc2nc(C[N@@H+](C)Cc3ccc(C)cc3)nc(N)c2c1C ZINC000012561758 570866244 /nfs/dbraw/zinc/86/62/44/570866244.db2.gz GQMIJWGVIHYIET-UHFFFAOYSA-N 1 2 384.505 3.699 50 0 GHAALO CCOc1ccccc1N1CC[NH+]([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 ZINC000012589911 570883253 /nfs/dbraw/zinc/88/32/53/570883253.db2.gz KXIAZTRPHHOHIJ-QHCPKHFHSA-N 1 2 393.531 3.571 50 0 GHAALO Nc1n[nH]c2nc(NCc3ccccc3)c3c(c12)CC[N@@H+](Cc1ccccc1)C3 ZINC000004728534 570883690 /nfs/dbraw/zinc/88/36/90/570883690.db2.gz FBPDAPTUUYWCKJ-UHFFFAOYSA-N 1 2 384.487 3.711 50 0 GHAALO Nc1n[nH]c2nc(NCc3ccccc3)c3c(c12)CC[N@H+](Cc1ccccc1)C3 ZINC000004728534 570883693 /nfs/dbraw/zinc/88/36/93/570883693.db2.gz FBPDAPTUUYWCKJ-UHFFFAOYSA-N 1 2 384.487 3.711 50 0 GHAALO CC(=O)c1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCCCC2)c1 ZINC000012608254 570889513 /nfs/dbraw/zinc/88/95/13/570889513.db2.gz RCEYBFRTKLDAIF-UHFFFAOYSA-N 1 2 379.504 3.950 50 0 GHAALO CC(=O)c1cccc(NC(=O)C[N@H+](C)Cc2ccccc2N2CCCCC2)c1 ZINC000012608254 570889516 /nfs/dbraw/zinc/88/95/16/570889516.db2.gz RCEYBFRTKLDAIF-UHFFFAOYSA-N 1 2 379.504 3.950 50 0 GHAALO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](Cc4ncccc4C)CC3)n2)cc1 ZINC000180435084 570894746 /nfs/dbraw/zinc/89/47/46/570894746.db2.gz RLDSMFPNQQXDKM-SFHVURJKSA-N 1 2 377.492 3.627 50 0 GHAALO O=C(NC[C@H](c1cccc2ccccc21)[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000023106421 570905328 /nfs/dbraw/zinc/90/53/28/570905328.db2.gz YEWIIUSJNPGNGQ-JOCHJYFZSA-N 1 2 378.447 3.782 50 0 GHAALO CCn1nccc1C(=O)N1CCC[C@@H](Cn2c(C)c[nH+]c2-c2ccccc2)C1 ZINC000581807049 837696937 /nfs/dbraw/zinc/69/69/37/837696937.db2.gz HUVBCTRGGUHSIH-GOSISDBHSA-N 1 2 377.492 3.627 50 0 GHAALO O=C(NC[C@H]1Cn2cccc2C[N@@H+]1Cc1ccccc1)c1c[nH]c2ccccc12 ZINC000257191181 838953169 /nfs/dbraw/zinc/95/31/69/838953169.db2.gz PLTDMXGXLIJQSM-FQEVSTJZSA-N 1 2 384.483 3.784 50 0 GHAALO O=C(NC[C@H]1Cn2cccc2C[N@H+]1Cc1ccccc1)c1c[nH]c2ccccc12 ZINC000257191181 838953181 /nfs/dbraw/zinc/95/31/81/838953181.db2.gz PLTDMXGXLIJQSM-FQEVSTJZSA-N 1 2 384.483 3.784 50 0 GHAALO Cc1c[nH+]c(-c2ccncc2)n1[C@H]1CCCN(C(=O)COCc2ccccc2)C1 ZINC000581807075 839271676 /nfs/dbraw/zinc/27/16/76/839271676.db2.gz IKUKCDBPNNMLNF-NRFANRHFSA-N 1 2 390.487 3.634 50 0 GHAALO COc1ccc(-c2cc(C[NH+]3CCN(c4ccc(C(C)=O)cc4)CC3)on2)cc1 ZINC000057478207 862114993 /nfs/dbraw/zinc/11/49/93/862114993.db2.gz QXMZTXUFTUAXLC-UHFFFAOYSA-N 1 2 391.471 3.875 50 0 GHAALO Cn1cc(C[N@@H+]2CCc3n[nH]c(C(c4ccccc4)c4ccccc4)c3C2)cn1 ZINC000042942816 859558473 /nfs/dbraw/zinc/55/84/73/859558473.db2.gz JGGZYGQXLRVYPU-UHFFFAOYSA-N 1 2 383.499 3.882 50 0 GHAALO Cn1cc(C[N@H+]2CCc3n[nH]c(C(c4ccccc4)c4ccccc4)c3C2)cn1 ZINC000042942816 859558480 /nfs/dbraw/zinc/55/84/80/859558480.db2.gz JGGZYGQXLRVYPU-UHFFFAOYSA-N 1 2 383.499 3.882 50 0 GHAALO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2cc(C)[nH]n2)C1 ZINC000012300145 859783501 /nfs/dbraw/zinc/78/35/01/859783501.db2.gz AETUDTDXXICRQA-FQEVSTJZSA-N 1 2 375.900 3.760 50 0 GHAALO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2cc(C)[nH]n2)C1 ZINC000012300145 859783512 /nfs/dbraw/zinc/78/35/12/859783512.db2.gz AETUDTDXXICRQA-FQEVSTJZSA-N 1 2 375.900 3.760 50 0 GHAALO O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCc2[nH]c3c(cc(Cl)cc3Cl)c2C1 ZINC000095972827 860727383 /nfs/dbraw/zinc/72/73/83/860727383.db2.gz JBAHQYCTZGQEDX-LLVKDONJSA-N 1 2 389.286 3.819 50 0 GHAALO O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CC[C@@H](CCOc2ccccc2F)C1 ZINC000575313656 865972443 /nfs/dbraw/zinc/97/24/43/865972443.db2.gz AELYEBXVYDAUFO-INIZCTEOSA-N 1 2 383.423 3.595 50 0 GHAALO Cc1cnc([C@@H]([NH2+]CC(=O)Nc2nc3ccc(F)cc3s2)C2CC2)s1 ZINC000185375150 866020788 /nfs/dbraw/zinc/02/07/88/866020788.db2.gz YECZLTRGOLJYJL-HNNXBMFYSA-N 1 2 376.482 3.880 50 0 GHAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NC1CCCCC1 ZINC000035404480 866602731 /nfs/dbraw/zinc/60/27/31/866602731.db2.gz UQVNSFSWCHPCFD-UHFFFAOYSA-N 1 2 382.483 3.549 50 0 GHAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)NC1CCCCC1 ZINC000035404480 866602748 /nfs/dbraw/zinc/60/27/48/866602748.db2.gz UQVNSFSWCHPCFD-UHFFFAOYSA-N 1 2 382.483 3.549 50 0 GHAALO Cc1ncc(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)o1 ZINC000628256724 882023199 /nfs/dbraw/zinc/02/31/99/882023199.db2.gz JPALRBJSOPHXAP-ZDUSSCGKSA-N 1 2 379.176 3.588 50 0 GHAALO CCn1ccc(C(=O)N2CCC[C@H](Cn3c(C)c[nH+]c3-c3ccccc3)C2)n1 ZINC000581806871 870036811 /nfs/dbraw/zinc/03/68/11/870036811.db2.gz BPDDVHSYQWZVGS-SFHVURJKSA-N 1 2 377.492 3.627 50 0 GHAALO COc1ccc(CCC(=O)N2CC[C@H](n3c(C)c[nH+]c3-c3cccnc3)C2)cc1 ZINC000581807304 870038177 /nfs/dbraw/zinc/03/81/77/870038177.db2.gz HRGDZOBCFASGIW-FQEVSTJZSA-N 1 2 390.487 3.668 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCN(C(=O)CCc2c(C)nn(C)c2C)C1 ZINC000581808034 870038230 /nfs/dbraw/zinc/03/82/30/870038230.db2.gz OWMIOPABCKLDKQ-HXUWFJFHSA-N 1 2 391.519 3.615 50 0 GHAALO Cc1c[nH+]c(-c2ccncc2)n1C1CCN(C(=O)NCc2ccccc2)CC1 ZINC000581808898 870039863 /nfs/dbraw/zinc/03/98/63/870039863.db2.gz XTSWLKVQQAJFJD-UHFFFAOYSA-N 1 2 375.476 3.800 50 0 GHAALO Cc1c[nH+]c(-c2ccncc2)n1C[C@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000581808518 870040487 /nfs/dbraw/zinc/04/04/87/870040487.db2.gz XIPFXPVWUSDZMB-FQEVSTJZSA-N 1 2 389.503 3.875 50 0 GHAALO Fc1ccc(OCc2nc(C[N@@H+]3CC[C@@H](Oc4cccnc4)C3)cs2)cc1 ZINC000152428482 878316598 /nfs/dbraw/zinc/31/65/98/878316598.db2.gz FTGMXNKZEFJXHW-LJQANCHMSA-N 1 2 385.464 3.910 50 0 GHAALO Fc1ccc(OCc2nc(C[N@H+]3CC[C@@H](Oc4cccnc4)C3)cs2)cc1 ZINC000152428482 878316615 /nfs/dbraw/zinc/31/66/15/878316615.db2.gz FTGMXNKZEFJXHW-LJQANCHMSA-N 1 2 385.464 3.910 50 0 GHAALO CC(C)(C)n1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nn1 ZINC000191368224 906919918 /nfs/dbraw/zinc/91/99/18/906919918.db2.gz VDTVUCIWTDGBON-UHFFFAOYSA-N 1 2 393.894 3.676 50 0 GHAALO Cc1nn(C)c(Oc2cccnc2)c1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000127797110 918269384 /nfs/dbraw/zinc/26/93/84/918269384.db2.gz VZSFJBUEJYUFML-UHFFFAOYSA-N 1 2 397.910 3.891 50 0 GHAALO O=C(CCN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccccc1Cl ZINC000019361397 210244995 /nfs/dbraw/zinc/24/49/95/210244995.db2.gz LYKLYIQPLLVGDC-RMKNXTFCSA-N 1 2 383.923 4.000 50 0 GHAALO CCCC12CN3CC(CCC)(C[NH+](C1)C3c1c[nH]c3ccc(OC)cc31)C2=O ZINC000019323642 210239843 /nfs/dbraw/zinc/23/98/43/210239843.db2.gz JGYJXIVLUROVTG-UHFFFAOYSA-N 1 2 381.520 3.962 50 0 biogenic GHAALO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Br)s3)CC2)cc1 ZINC000016602742 210191494 /nfs/dbraw/zinc/19/14/94/210191494.db2.gz KFBQFFBAXZHRFT-UHFFFAOYSA-N 1 2 379.323 3.777 50 0 GHAALO COc1ccc(OC)c(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc(F)cc2)C3)c1 ZINC000015779089 210169725 /nfs/dbraw/zinc/16/97/25/210169725.db2.gz XMYMOTFOMCGEMK-UHFFFAOYSA-N 1 2 394.450 3.935 50 0 GHAALO COc1ccc(OC)c(Nc2ncc3c(n2)CC[N@H+](Cc2ccc(F)cc2)C3)c1 ZINC000015779089 210169728 /nfs/dbraw/zinc/16/97/28/210169728.db2.gz XMYMOTFOMCGEMK-UHFFFAOYSA-N 1 2 394.450 3.935 50 0 GHAALO CC(=O)c1cc(C[N@@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)cs1 ZINC000015078629 210151970 /nfs/dbraw/zinc/15/19/70/210151970.db2.gz OIVLRZZLTXXSBZ-UHFFFAOYSA-N 1 2 381.457 3.628 50 0 GHAALO CC(=O)c1cc(C[N@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)cs1 ZINC000015078629 210151971 /nfs/dbraw/zinc/15/19/71/210151971.db2.gz OIVLRZZLTXXSBZ-UHFFFAOYSA-N 1 2 381.457 3.628 50 0 GHAALO CC(=O)c1cc(C[N@@H+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)cs1 ZINC000015079762 210151816 /nfs/dbraw/zinc/15/18/16/210151816.db2.gz GSNIVKLXDJYCOY-UHFFFAOYSA-N 1 2 382.441 3.893 50 0 GHAALO CC(=O)c1cc(C[N@H+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)cs1 ZINC000015079762 210151818 /nfs/dbraw/zinc/15/18/18/210151818.db2.gz GSNIVKLXDJYCOY-UHFFFAOYSA-N 1 2 382.441 3.893 50 0 GHAALO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH+]2CCOCC2)cc1F ZINC000015074671 210150972 /nfs/dbraw/zinc/15/09/72/210150972.db2.gz HYVSYLAVYMUQLS-UHFFFAOYSA-N 1 2 381.451 3.828 50 0 GHAALO O=C(c1ccccc1)[C@@H]1CCC[N@H+](Cc2nc(COc3ccccc3)no2)C1 ZINC000014974798 210137734 /nfs/dbraw/zinc/13/77/34/210137734.db2.gz DTGDWNQJRLXINF-GOSISDBHSA-N 1 2 377.444 3.744 50 0 GHAALO O=C(c1ccccc1)[C@@H]1CCC[N@@H+](Cc2nc(COc3ccccc3)no2)C1 ZINC000014974798 210137738 /nfs/dbraw/zinc/13/77/38/210137738.db2.gz DTGDWNQJRLXINF-GOSISDBHSA-N 1 2 377.444 3.744 50 0 GHAALO O=C(c1occc1COc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012997152 210044832 /nfs/dbraw/zinc/04/48/32/210044832.db2.gz ISLJSEUEECOANH-UHFFFAOYSA-N 1 2 376.456 3.817 50 0 GHAALO CCN(C(=O)C[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1)c1ccccc1C ZINC000013009128 210046213 /nfs/dbraw/zinc/04/62/13/210046213.db2.gz DWFBMECSFOZHKF-UHFFFAOYSA-N 1 2 394.515 3.951 50 0 GHAALO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cnn1-c1cccc(C)c1 ZINC000012872568 210020658 /nfs/dbraw/zinc/02/06/58/210020658.db2.gz WNNVADBCUYUAGT-UHFFFAOYSA-N 1 2 392.478 3.586 50 0 GHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1OC ZINC000012818962 210015025 /nfs/dbraw/zinc/01/50/25/210015025.db2.gz QCGBSLKKSZEVQD-UHFFFAOYSA-N 1 2 386.492 3.708 50 0 GHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1OC ZINC000012818962 210015030 /nfs/dbraw/zinc/01/50/30/210015030.db2.gz QCGBSLKKSZEVQD-UHFFFAOYSA-N 1 2 386.492 3.708 50 0 GHAALO COc1ccc2cc(C(=O)N3CC[NH+](Cc4ccccc4F)CC3)c(C)nc2c1 ZINC000012768204 210005466 /nfs/dbraw/zinc/00/54/66/210005466.db2.gz FUOMESUADUOEQL-UHFFFAOYSA-N 1 2 393.462 3.649 50 0 GHAALO Cc1cccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000006736241 209676252 /nfs/dbraw/zinc/67/62/52/209676252.db2.gz KPVFBZBZDDDAAO-UHFFFAOYSA-N 1 2 390.487 3.548 50 0 GHAALO C[C@@H](NC(=O)CCNC(=O)c1ccccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000010051945 209320824 /nfs/dbraw/zinc/32/08/24/209320824.db2.gz JKTCJOQNBKAKBL-OAHLLOKOSA-N 1 2 396.878 3.523 50 0 GHAALO Cc1c(O)ccc2c(C[NH+]3CCN(C/C=C/c4ccccc4)CC3)cc(=O)oc12 ZINC000020533464 209234885 /nfs/dbraw/zinc/23/48/85/209234885.db2.gz NFMZMZWHQXXIGM-VMPITWQZSA-N 1 2 390.483 3.638 50 0 GHAALO O=C(NC[C@H](c1ccco1)[NH+]1CCSCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000244947562 209215313 /nfs/dbraw/zinc/21/53/13/209215313.db2.gz DMFTXRDEANJMMN-IGDKPHCXSA-N 1 2 389.565 3.638 50 0 GHAALO CCc1[nH+]c2cc(NC(=O)N3CCC[C@@H](c4ccncn4)C3)ccc2n1CC ZINC000299798029 212039631 /nfs/dbraw/zinc/03/96/31/212039631.db2.gz PRSRKEAHERWAHU-OAHLLOKOSA-N 1 2 378.480 3.820 50 0 GHAALO CC(C)c1noc([C@H]2CCCN(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000299781445 212036396 /nfs/dbraw/zinc/03/63/96/212036396.db2.gz LBFTUAQNSVKEOD-HNNXBMFYSA-N 1 2 380.452 3.790 50 0 GHAALO CNc1ccc(-c2cccc(C(=O)N3CC[NH+](Cc4cccnc4)CC3)c2)cc1 ZINC000299761641 212032906 /nfs/dbraw/zinc/03/29/06/212032906.db2.gz XDJQGCPBVNEUGP-UHFFFAOYSA-N 1 2 386.499 3.748 50 0 GHAALO O=C(/C=C\C1=Cc2cc(Cl)ccc2OC1)NCCc1cn2ccccc2[nH+]1 ZINC000096286587 211968317 /nfs/dbraw/zinc/96/83/17/211968317.db2.gz ZIYPUQSYNXGJCF-DAXSKMNVSA-N 1 2 379.847 3.679 50 0 GHAALO Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c(C)n1-c1nccs1 ZINC000097676729 211371011 /nfs/dbraw/zinc/37/10/11/211371011.db2.gz JLCSPSAKPXKOQW-UHFFFAOYSA-N 1 2 377.473 3.666 50 0 GHAALO Cc1cc(C(=O)CN2CC[NH+](C/C=C\c3ccccc3)CC2)c(C)n1C1CC1 ZINC000096905297 211351386 /nfs/dbraw/zinc/35/13/86/211351386.db2.gz PNAPLQBGUALZPB-TWGQIWQCSA-N 1 2 377.532 3.954 50 0 GHAALO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3c(C)nn(C(C)C)c3C)c2C1 ZINC000095959851 211287365 /nfs/dbraw/zinc/28/73/65/211287365.db2.gz ZOEAEULLCIERHP-UHFFFAOYSA-N 1 2 390.553 3.997 50 0 GHAALO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3c(C)nn(C(C)C)c3C)c2C1 ZINC000095959851 211287370 /nfs/dbraw/zinc/28/73/70/211287370.db2.gz ZOEAEULLCIERHP-UHFFFAOYSA-N 1 2 390.553 3.997 50 0 GHAALO CCOc1ccccc1C(=O)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095496914 211250975 /nfs/dbraw/zinc/25/09/75/211250975.db2.gz OBDHNDHPOFTVSV-UHFFFAOYSA-N 1 2 390.487 3.745 50 0 GHAALO CC(C)c1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)no1 ZINC000095511913 211262158 /nfs/dbraw/zinc/26/21/58/211262158.db2.gz FNSJBESLVFUKHR-CQSZACIVSA-N 1 2 385.493 3.519 50 0 GHAALO O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095512724 211261824 /nfs/dbraw/zinc/26/18/24/211261824.db2.gz ORIQLWSXFPUSHA-HXUWFJFHSA-N 1 2 385.471 3.828 50 0 GHAALO COCCn1cc[nH+]c1C1CCN(C(=O)[C@H](C)Sc2ccc(C)cc2)CC1 ZINC000095502658 211254321 /nfs/dbraw/zinc/25/43/21/211254321.db2.gz QUDNQJRKSOELGP-KRWDZBQOSA-N 1 2 387.549 3.725 50 0 GHAALO COC(=O)[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000095405175 211239064 /nfs/dbraw/zinc/23/90/64/211239064.db2.gz HFAKOAIYWZWHPS-GOSISDBHSA-N 1 2 379.378 3.900 50 0 GHAALO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000095405175 211239066 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CC(C)N1C[NH+]=C2N[C@@H](c3ccc(Cl)cc3)n3c4ccccc4nc3N2C1 ZINC000020101308 210316574 /nfs/dbraw/zinc/31/65/74/210316574.db2.gz RDLRIAVIFPSTCJ-GOSISDBHSA-N 1 2 380.883 3.641 50 0 GHAALO O=C(Nc1ccccc1Br)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019794686 210297099 /nfs/dbraw/zinc/29/70/99/210297099.db2.gz TZVKMRBOUVCWGU-UHFFFAOYSA-N 1 2 375.266 3.534 50 0 GHAALO COc1cc(OC)c(OC)cc1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019781865 210295305 /nfs/dbraw/zinc/29/53/05/210295305.db2.gz PQTOXFSTYDFCHX-UHFFFAOYSA-N 1 2 390.911 3.684 50 0 GHAALO COc1cc(OC)c(OC)cc1C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019781865 210295310 /nfs/dbraw/zinc/29/53/10/210295310.db2.gz PQTOXFSTYDFCHX-UHFFFAOYSA-N 1 2 390.911 3.684 50 0 GHAALO c1ccc(-c2noc(-c3ccc(N4CCN(c5cccc[nH+]5)CC4)nc3)n2)cc1 ZINC000065097774 136159143 /nfs/dbraw/zinc/15/91/43/136159143.db2.gz LDEYYFVBUYPDSP-UHFFFAOYSA-N 1 2 384.443 3.520 50 0 GHAALO COc1cccc(N2C[C@H](Cc3ccccc3)[N@H+](Cc3ccco3)CC2=O)c1 ZINC000082137732 136174002 /nfs/dbraw/zinc/17/40/02/136174002.db2.gz BHBXHRFODXBORZ-FQEVSTJZSA-N 1 2 376.456 3.748 50 0 GHAALO COc1cccc(N2C[C@H](Cc3ccccc3)[N@@H+](Cc3ccco3)CC2=O)c1 ZINC000082137732 136174003 /nfs/dbraw/zinc/17/40/03/136174003.db2.gz BHBXHRFODXBORZ-FQEVSTJZSA-N 1 2 376.456 3.748 50 0 GHAALO COc1ccccc1N1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000089473931 136175477 /nfs/dbraw/zinc/17/54/77/136175477.db2.gz QVSUXZWXBSYQSF-GOSISDBHSA-N 1 2 385.895 3.664 50 0 GHAALO CN(Cc1ccc(F)cc1)C(=O)C[N@H+](C)Cc1csc(Br)c1 ZINC000072032425 222204457 /nfs/dbraw/zinc/20/44/57/222204457.db2.gz PNRIPUXLUGOTLN-UHFFFAOYSA-N 1 2 385.302 3.740 50 0 GHAALO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+](C)Cc1csc(Br)c1 ZINC000072032425 222204459 /nfs/dbraw/zinc/20/44/59/222204459.db2.gz PNRIPUXLUGOTLN-UHFFFAOYSA-N 1 2 385.302 3.740 50 0 GHAALO O=C(c1c(F)c(F)c(F)c(F)c1F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020166180 570245500 /nfs/dbraw/zinc/24/55/00/570245500.db2.gz SWHYHCGLNTWYNW-QPJJXVBHSA-N 1 2 396.359 3.853 50 0 GHAALO C[C@H]1c2cccn2CC[N@H+]1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 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WCISHUVXTPCFEA-LJQANCHMSA-N 1 2 398.507 3.791 50 0 GHAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccnn2C2CCCC2)c1 ZINC000007718606 570342041 /nfs/dbraw/zinc/34/20/41/570342041.db2.gz WCISHUVXTPCFEA-LJQANCHMSA-N 1 2 398.507 3.791 50 0 GHAALO O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050914 570344436 /nfs/dbraw/zinc/34/44/36/570344436.db2.gz RLVDNRNPSIGFGI-UHFFFAOYSA-N 1 2 375.350 3.743 50 0 GHAALO O=C(NCc1cn2ccccc2[nH+]1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000023754679 570371588 /nfs/dbraw/zinc/37/15/88/570371588.db2.gz PGBIPFMJHFELKM-UHFFFAOYSA-N 1 2 384.439 3.766 50 0 GHAALO CC(=O)c1sc(=Nc2c(C)cccc2C)n(CCC[NH+]2CCOCC2)c1C ZINC000004940155 570376321 /nfs/dbraw/zinc/37/63/21/570376321.db2.gz XSIJGPQJENLWER-DQRAZIAOSA-N 1 2 387.549 3.632 50 0 GHAALO Cc1ccc(O)c(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000024229741 570381181 /nfs/dbraw/zinc/38/11/81/570381181.db2.gz CMLFEZDWZWUQJC-UHFFFAOYSA-N 1 2 378.394 3.677 50 0 GHAALO CC(C)Oc1ccc(CNC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000004955354 570381676 /nfs/dbraw/zinc/38/16/76/570381676.db2.gz IMWCZMZLEGHUCD-UHFFFAOYSA-N 1 2 392.503 3.883 50 0 GHAALO O=C(Cc1c(Cl)cccc1Cl)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000024498157 570384810 /nfs/dbraw/zinc/38/48/10/570384810.db2.gz DLCUNDZQOUTRNE-INIZCTEOSA-N 1 2 393.314 3.553 50 0 GHAALO O=C(Cc1c(Cl)cccc1Cl)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000024498157 570384812 /nfs/dbraw/zinc/38/48/12/570384812.db2.gz DLCUNDZQOUTRNE-INIZCTEOSA-N 1 2 393.314 3.553 50 0 GHAALO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000024865070 570396661 /nfs/dbraw/zinc/39/66/61/570396661.db2.gz MSSFQTADFDONLE-SFHVURJKSA-N 1 2 379.287 3.797 50 0 GHAALO CCc1[nH+]ccn1-c1cc(C)nc2c(-c3ccc(OC)c(OC)c3)c(C)nn21 ZINC000005207371 570431587 /nfs/dbraw/zinc/43/15/87/570431587.db2.gz WXDJOUYMRRLCRW-UHFFFAOYSA-N 1 2 377.448 3.778 50 0 GHAALO O=C(CCc1ccccc1O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000011764780 570434172 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C[C@@]1(CCc2ccccc2)NC(=O)N(C[N@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000022751673 570542799 /nfs/dbraw/zinc/54/27/99/570542799.db2.gz KSFARNIVROSTGG-DEOSSOPVSA-N 1 2 389.499 3.677 50 0 GHAALO C[C@@]1(CCc2ccccc2)NC(=O)N(C[N@@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000022751673 570542803 /nfs/dbraw/zinc/54/28/03/570542803.db2.gz KSFARNIVROSTGG-DEOSSOPVSA-N 1 2 389.499 3.677 50 0 GHAALO CCCc1noc([C@H](C)[N@H+](C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)n1 ZINC000040071668 570546079 /nfs/dbraw/zinc/54/60/79/570546079.db2.gz WKORQMXVLIRXCO-LBPRGKRZSA-N 1 2 384.402 3.507 50 0 GHAALO CCCc1noc([C@H](C)[N@@H+](C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)n1 ZINC000040071668 570546084 /nfs/dbraw/zinc/54/60/84/570546084.db2.gz WKORQMXVLIRXCO-LBPRGKRZSA-N 1 2 384.402 3.507 50 0 GHAALO CCN1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=S)NC2CCCCC2)CC1 ZINC000022785106 570546951 /nfs/dbraw/zinc/54/69/51/570546951.db2.gz FHZWVYZVDJZMJA-LPHOPBHVSA-N 1 2 394.654 3.612 50 0 GHAALO Cc1nn(CC(C)C)c2sc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)cc12 ZINC000032997973 570581322 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COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc(CC(C)C)n[nH]3)C2)c(OC)c1 ZINC000012304302 570638200 /nfs/dbraw/zinc/63/82/00/570638200.db2.gz DCYMYPHKDHJYAY-INIZCTEOSA-N 1 2 385.508 3.720 50 0 GHAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc(CC(C)C)n[nH]3)C2)c(OC)c1 ZINC000012304302 570638203 /nfs/dbraw/zinc/63/82/03/570638203.db2.gz DCYMYPHKDHJYAY-INIZCTEOSA-N 1 2 385.508 3.720 50 0 GHAALO COc1ccc(/C=C/c2nn3c(C[NH+]4CCCCCC4)nnc3s2)cc1OC ZINC000049550265 570664756 /nfs/dbraw/zinc/66/47/56/570664756.db2.gz YGYOKYNNWFMQEH-CSKARUKUSA-N 1 2 399.520 3.749 50 0 GHAALO O=c1oc2cc(Br)ccc2n1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000036391083 570673154 /nfs/dbraw/zinc/67/31/54/570673154.db2.gz OWNLYIGZQCSJOO-VIFPVBQESA-N 1 2 379.176 3.589 50 0 GHAALO O=c1oc2cc(Br)ccc2n1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000036391083 570673156 /nfs/dbraw/zinc/67/31/56/570673156.db2.gz OWNLYIGZQCSJOO-VIFPVBQESA-N 1 2 379.176 3.589 50 0 GHAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(I)c1 ZINC000005627721 570675782 /nfs/dbraw/zinc/67/57/82/570675782.db2.gz FSRIDUZVKSFIII-UHFFFAOYSA-N 1 2 391.212 3.588 50 0 GHAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000054225186 570676774 /nfs/dbraw/zinc/67/67/74/570676774.db2.gz PQZKKGGFNRVBBA-UHFFFAOYSA-N 1 2 382.266 3.893 50 0 GHAALO COc1ccc(-c2noc(C[NH+]3CCN(c4cccc(C)c4C)CC3)n2)cc1 ZINC000055036341 570679758 /nfs/dbraw/zinc/67/97/58/570679758.db2.gz VFRAFDFQLDPQQS-UHFFFAOYSA-N 1 2 378.476 3.684 50 0 GHAALO Clc1nc2sccn2c1CN(CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000055403250 570694895 /nfs/dbraw/zinc/69/48/95/570694895.db2.gz CINGTRGBGLDLNZ-UHFFFAOYSA-N 1 2 386.912 3.733 50 0 GHAALO Cc1ccc(-c2nc(C[N@@H+]3CCCN(C(=O)c4ccco4)CC3)c(C)o2)s1 ZINC000012710272 570702208 /nfs/dbraw/zinc/70/22/08/570702208.db2.gz GCORCDUEJNOCCM-UHFFFAOYSA-N 1 2 385.489 3.961 50 0 GHAALO Cc1ccc(-c2nc(C[N@H+]3CCCN(C(=O)c4ccco4)CC3)c(C)o2)s1 ZINC000012710272 570702213 /nfs/dbraw/zinc/70/22/13/570702213.db2.gz GCORCDUEJNOCCM-UHFFFAOYSA-N 1 2 385.489 3.961 50 0 GHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC)c(F)c2)c1C ZINC000058170509 570715287 /nfs/dbraw/zinc/71/52/87/570715287.db2.gz BWBHKDCHFJOPKF-CQSZACIVSA-N 1 2 390.455 3.659 50 0 GHAALO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC)c(F)c2)c1C ZINC000058170509 570715288 /nfs/dbraw/zinc/71/52/88/570715288.db2.gz BWBHKDCHFJOPKF-CQSZACIVSA-N 1 2 390.455 3.659 50 0 GHAALO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)Nc1ccc(F)c(Cl)c1 ZINC000206733361 570739359 /nfs/dbraw/zinc/73/93/59/570739359.db2.gz ODXPTPRVFPWTNE-UHFFFAOYSA-N 1 2 378.839 3.579 50 0 GHAALO CCOc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000052584165 570754385 /nfs/dbraw/zinc/75/43/85/570754385.db2.gz ZWNTVOZAMRLSTL-UEUGHCDMSA-N 1 2 385.508 3.680 50 0 GHAALO CCOc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000052584165 570754387 /nfs/dbraw/zinc/75/43/87/570754387.db2.gz ZWNTVOZAMRLSTL-UEUGHCDMSA-N 1 2 385.508 3.680 50 0 GHAALO COc1cccc(CC(=O)N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000032716860 570754994 /nfs/dbraw/zinc/75/49/94/570754994.db2.gz SICARZHIAZKAAU-UHFFFAOYSA-N 1 2 392.421 3.601 50 0 GHAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4ccccc4F)CC3)c2c1 ZINC000033088018 570807265 /nfs/dbraw/zinc/80/72/65/570807265.db2.gz KGKQXWAIDBONIE-UHFFFAOYSA-N 1 2 380.463 3.812 50 0 GHAALO CCc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccccc4F)CC3)c2c1 ZINC000033088018 570807268 /nfs/dbraw/zinc/80/72/68/570807268.db2.gz KGKQXWAIDBONIE-UHFFFAOYSA-N 1 2 380.463 3.812 50 0 GHAALO Clc1ccc(-c2nc(C[NH+](C[C@H]3CCCO3)C[C@H]3CCCO3)no2)cc1 ZINC000065491024 570824867 /nfs/dbraw/zinc/82/48/67/570824867.db2.gz HBZWHDOSIQJLPB-IAGOWNOFSA-N 1 2 377.872 3.550 50 0 GHAALO COCCCNC(=O)Cn1ccc2c1cc[nH+]c2SCc1ccc(C)cc1 ZINC000033172256 570836657 /nfs/dbraw/zinc/83/66/57/570836657.db2.gz CDZIPBZEHLPXQF-UHFFFAOYSA-N 1 2 383.517 3.790 50 0 GHAALO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000007436954 570843358 /nfs/dbraw/zinc/84/33/58/570843358.db2.gz MZUQIJMPDIQDMN-KRWDZBQOSA-N 1 2 382.460 3.693 50 0 GHAALO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000007436954 570843360 /nfs/dbraw/zinc/84/33/60/570843360.db2.gz MZUQIJMPDIQDMN-KRWDZBQOSA-N 1 2 382.460 3.693 50 0 GHAALO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ncccc1OCC(F)(F)F ZINC000170611667 570867377 /nfs/dbraw/zinc/86/73/77/570867377.db2.gz MDJVDIJCXJLSID-UHFFFAOYSA-N 1 2 391.349 3.874 50 0 GHAALO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)on1 ZINC000012569061 570872970 /nfs/dbraw/zinc/87/29/70/570872970.db2.gz MWZRCEIMOSZKIE-OAHLLOKOSA-N 1 2 385.464 3.519 50 0 GHAALO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)on1 ZINC000012569061 570872972 /nfs/dbraw/zinc/87/29/72/570872972.db2.gz MWZRCEIMOSZKIE-OAHLLOKOSA-N 1 2 385.464 3.519 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000012574415 570875368 /nfs/dbraw/zinc/87/53/68/570875368.db2.gz WTCRSJCYZRUCLU-INIZCTEOSA-N 1 2 388.240 3.841 50 0 GHAALO CC[N@@H+](Cc1cccc(C)c1)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O ZINC000032913325 570920677 /nfs/dbraw/zinc/92/06/77/570920677.db2.gz XXRJNSDZTRHCGO-XMMPIXPASA-N 1 2 391.515 3.948 50 0 GHAALO CC[N@H+](Cc1cccc(C)c1)CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O ZINC000032913325 570920678 /nfs/dbraw/zinc/92/06/78/570920678.db2.gz XXRJNSDZTRHCGO-XMMPIXPASA-N 1 2 391.515 3.948 50 0 GHAALO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000078825194 836065845 /nfs/dbraw/zinc/06/58/45/836065845.db2.gz SBYJYWIHRYCPIM-GJZGRUSLSA-N 1 2 383.883 3.589 50 0 GHAALO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000078825194 836065853 /nfs/dbraw/zinc/06/58/53/836065853.db2.gz SBYJYWIHRYCPIM-GJZGRUSLSA-N 1 2 383.883 3.589 50 0 GHAALO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030180998 862224058 /nfs/dbraw/zinc/22/40/58/862224058.db2.gz AGQRSMJTDXWYFJ-SFHVURJKSA-N 1 2 390.936 3.892 50 0 GHAALO CCCCn1c(C[N@H+](C)C2CCOCC2)cnc1S(=O)(=O)CCCC(C)C ZINC000012447569 862397270 /nfs/dbraw/zinc/39/72/70/862397270.db2.gz CKOQKYSCWDYULA-UHFFFAOYSA-N 1 2 399.601 3.504 50 0 GHAALO CCCCn1c(C[N@@H+](C)C2CCOCC2)cnc1S(=O)(=O)CCCC(C)C ZINC000012447569 862397289 /nfs/dbraw/zinc/39/72/89/862397289.db2.gz CKOQKYSCWDYULA-UHFFFAOYSA-N 1 2 399.601 3.504 50 0 GHAALO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1cccc(Cl)c1 ZINC000008119960 855984657 /nfs/dbraw/zinc/98/46/57/855984657.db2.gz UZJUQWOSCULQMD-UHFFFAOYSA-N 1 2 390.274 3.645 50 0 GHAALO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1cccc(Cl)c1 ZINC000008119960 855984667 /nfs/dbraw/zinc/98/46/67/855984667.db2.gz UZJUQWOSCULQMD-UHFFFAOYSA-N 1 2 390.274 3.645 50 0 GHAALO COc1cccc([C@H]2CCC[N@@H+]2Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)c1 ZINC000008754627 856347985 /nfs/dbraw/zinc/34/79/85/856347985.db2.gz RPELGHVTGBDHGX-MRXNPFEDSA-N 1 2 381.501 3.819 50 0 GHAALO COc1cccc([C@H]2CCC[N@H+]2Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)c1 ZINC000008754627 856347990 /nfs/dbraw/zinc/34/79/90/856347990.db2.gz RPELGHVTGBDHGX-MRXNPFEDSA-N 1 2 381.501 3.819 50 0 GHAALO CC(C)[C@@H](C)[NH+](CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cccc(F)c1 ZINC000008772402 856358615 /nfs/dbraw/zinc/35/86/15/856358615.db2.gz YFRDCYHRSHJVMD-OAHLLOKOSA-N 1 2 389.446 3.889 50 0 GHAALO Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000040104890 856662401 /nfs/dbraw/zinc/66/24/01/856662401.db2.gz AFSSNWIQNYKVTC-UHFFFAOYSA-N 1 2 395.532 3.900 50 0 GHAALO Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC000040144095 856680199 /nfs/dbraw/zinc/68/01/99/856680199.db2.gz QKPPSEWUYGWBAD-INIZCTEOSA-N 1 2 385.899 3.618 50 0 GHAALO Cc1cc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)sc1Cl ZINC000190306103 864515838 /nfs/dbraw/zinc/51/58/38/864515838.db2.gz IEWHVVMFJKFQCG-AWEZNQCLSA-N 1 2 393.921 3.899 50 0 GHAALO Cc1c[nH+]c(-c2ccncc2)n1[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000581806971 870036705 /nfs/dbraw/zinc/03/67/05/870036705.db2.gz FZDJNLFWZVLTGZ-HXUWFJFHSA-N 1 2 375.476 3.800 50 0 GHAALO CCn1ccc(C(=O)N2CCC[C@@H](Cn3c(C)c[nH+]c3-c3ccccc3)C2)n1 ZINC000581806870 870037027 /nfs/dbraw/zinc/03/70/27/870037027.db2.gz BPDDVHSYQWZVGS-GOSISDBHSA-N 1 2 377.492 3.627 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@H]1CCCN(C(=O)NCCc2ccccc2)C1 ZINC000581807440 870038127 /nfs/dbraw/zinc/03/81/27/870038127.db2.gz MZMJZYJMICMFOV-NRFANRHFSA-N 1 2 389.503 3.843 50 0 GHAALO C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCOCC2)o1 ZINC000032210385 884956783 /nfs/dbraw/zinc/95/67/83/884956783.db2.gz CHXLHXDXBPJACA-NWVKCBENSA-N 1 2 380.488 3.565 50 0 GHAALO Cn1nccc1CN1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000162126709 892068484 /nfs/dbraw/zinc/06/84/84/892068484.db2.gz SQBWDKUNMZMVLB-UHFFFAOYSA-N 1 2 382.458 3.606 50 0 GHAALO CC(C)N(C(=O)c1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCc2cccnc21 ZINC000585079998 897021169 /nfs/dbraw/zinc/02/11/69/897021169.db2.gz MBRIIEOHHYEBQS-QFIPXVFZSA-N 1 2 393.531 3.842 50 0 GHAALO COc1ccc(/C=C\C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(OC)c1 ZINC000042051329 902510350 /nfs/dbraw/zinc/51/03/50/902510350.db2.gz NXCYOMYUPYRRRV-CLFYSBASSA-N 1 2 387.505 3.798 50 0 GHAALO CN(Cc1ccc(Cl)cc1Cl)C(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000952971858 904649957 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Cc1cccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)c1 ZINC000015671316 210160413 /nfs/dbraw/zinc/16/04/13/210160413.db2.gz BXALYRQCSUONOR-UHFFFAOYSA-N 1 2 397.504 3.704 50 0 GHAALO CC[C@@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015583519 210158799 /nfs/dbraw/zinc/15/87/99/210158799.db2.gz BCJXQYGFJYUZJN-KRWDZBQOSA-N 1 2 392.425 3.640 50 0 GHAALO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000015065207 210146036 /nfs/dbraw/zinc/14/60/36/210146036.db2.gz BVPWISKUVSESSQ-QFIPXVFZSA-N 1 2 399.441 3.832 50 0 GHAALO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000015065207 210146039 /nfs/dbraw/zinc/14/60/39/210146039.db2.gz BVPWISKUVSESSQ-QFIPXVFZSA-N 1 2 399.441 3.832 50 0 GHAALO COc1ccc(OC)c(C[N@@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)c1 ZINC000014996090 210140597 /nfs/dbraw/zinc/14/05/97/210140597.db2.gz SJVVRMWSCYHBTP-UHFFFAOYSA-N 1 2 392.455 3.866 50 0 GHAALO COc1ccc(OC)c(C[N@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)c1 ZINC000014996090 210140602 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Fc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000020536541 210345897 /nfs/dbraw/zinc/34/58/97/210345897.db2.gz YKWHFRURSCTLOK-QGZVFWFLSA-N 1 2 389.465 3.891 50 0 GHAALO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2nccn2CC)CC1 ZINC000020321422 210326170 /nfs/dbraw/zinc/32/61/70/210326170.db2.gz MXOCSLRZRATQJF-UHFFFAOYSA-N 1 2 389.927 3.944 50 0 GHAALO c1ccc(C[N@@H+]2CCc3c(sc4ncn5nc(-c6cccnc6)nc5c34)C2)cc1 ZINC000020101378 210315801 /nfs/dbraw/zinc/31/58/01/210315801.db2.gz CSIDLLOYCGFDAY-UHFFFAOYSA-N 1 2 398.495 3.959 50 0 GHAALO c1ccc(C[N@H+]2CCc3c(sc4ncn5nc(-c6cccnc6)nc5c34)C2)cc1 ZINC000020101378 210315805 /nfs/dbraw/zinc/31/58/05/210315805.db2.gz CSIDLLOYCGFDAY-UHFFFAOYSA-N 1 2 398.495 3.959 50 0 GHAALO O=C(c1sc2ccccc2c1Cl)N1CC[NH+](CCc2ccccn2)CC1 ZINC000019901986 210307168 /nfs/dbraw/zinc/30/71/68/210307168.db2.gz YLOHGTRPXILBQU-UHFFFAOYSA-N 1 2 385.920 3.950 50 0 GHAALO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(C(=O)N(C)Cc3ccoc3)s2)[nH]n1 ZINC000019720587 210288965 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PVCNTEXGTWERJD-INIZCTEOSA-N 1 2 394.479 3.627 50 0 GHAALO Cc1cc2c(cc1-c1ccnc(NCC[NH+]3CCOCC3)n1)NC(C)(C)C[C@H]2C ZINC000575473305 570320276 /nfs/dbraw/zinc/32/02/76/570320276.db2.gz XAVTUOSVWGMRBM-QGZVFWFLSA-N 1 2 395.551 3.894 50 0 GHAALO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000022783864 570327479 /nfs/dbraw/zinc/32/74/79/570327479.db2.gz ORRRFOLYVSORIV-MRXNPFEDSA-N 1 2 391.437 3.850 50 0 GHAALO C[C@H](C(=O)Nc1ccccc1)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000022783864 570327480 /nfs/dbraw/zinc/32/74/80/570327480.db2.gz ORRRFOLYVSORIV-MRXNPFEDSA-N 1 2 391.437 3.850 50 0 GHAALO COc1ccc(C[NH+]2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1F ZINC000022804593 570329289 /nfs/dbraw/zinc/32/92/89/570329289.db2.gz FKATVASXGGPASQ-INIZCTEOSA-N 1 2 396.466 3.763 50 0 GHAALO COc1ccc(CN2CC[NH+]([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)cc1F ZINC000022804593 570329290 /nfs/dbraw/zinc/32/92/90/570329290.db2.gz FKATVASXGGPASQ-INIZCTEOSA-N 1 2 396.466 3.763 50 0 GHAALO C[N@@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)Cc1nc(-c2cccnc2)no1 ZINC000023129815 570345788 /nfs/dbraw/zinc/34/57/88/570345788.db2.gz KPXXBAPPJGTELM-UHFFFAOYSA-N 1 2 386.415 3.900 50 0 GHAALO C[N@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)Cc1nc(-c2cccnc2)no1 ZINC000023129815 570345789 /nfs/dbraw/zinc/34/57/89/570345789.db2.gz KPXXBAPPJGTELM-UHFFFAOYSA-N 1 2 386.415 3.900 50 0 GHAALO O=C(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1cnn(-c2ccccc2)n1 ZINC000575621602 570369921 /nfs/dbraw/zinc/36/99/21/570369921.db2.gz ZGCZUYKUFAATJY-UHFFFAOYSA-N 1 2 384.443 3.719 50 0 GHAALO CCOC(=O)C1CCN(c2[nH+]c3ccccc3n2CC(=O)c2ccccc2)CC1 ZINC000006313887 570376464 /nfs/dbraw/zinc/37/64/64/570376464.db2.gz XUKRWOKPLSGYGY-UHFFFAOYSA-N 1 2 391.471 3.699 50 0 GHAALO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000024044937 570377528 /nfs/dbraw/zinc/37/75/28/570377528.db2.gz YKERUWXOBWVUOZ-GOSISDBHSA-N 1 2 378.394 3.509 50 0 GHAALO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000004951377 570380892 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3.504 50 0 GHAALO COc1ccc(C[NH+]2CCN(C(=O)c3oc4ccccc4c3C)CC2)cc1OC ZINC000024601767 570387103 /nfs/dbraw/zinc/38/71/03/570387103.db2.gz UTGHOLKVERQQDY-UHFFFAOYSA-N 1 2 394.471 3.716 50 0 GHAALO CCCC[NH+]1CCN(S(=O)(=O)c2cc(-c3nc(C)c(C)s3)cs2)CC1 ZINC000033297686 570405189 /nfs/dbraw/zinc/40/51/89/570405189.db2.gz WYJHAJVHRDCSCH-UHFFFAOYSA-N 1 2 399.607 3.595 50 0 GHAALO Fc1ccc(OCc2cccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)c2)c(F)c1 ZINC000006413959 570405483 /nfs/dbraw/zinc/40/54/83/570405483.db2.gz QVDBJLBATBRDFJ-UHFFFAOYSA-N 1 2 378.342 3.525 50 0 GHAALO O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCCc1cn2ccccc2[nH+]1 ZINC000025529906 570415336 /nfs/dbraw/zinc/41/53/36/570415336.db2.gz GMOPYHSYXFVCIE-UHFFFAOYSA-N 1 2 396.397 3.559 50 0 GHAALO CCc1c(C(=O)Nc2cccc(-c3[nH+]ccn3CC)c2)cnn1-c1ccccn1 ZINC000130948409 570465458 /nfs/dbraw/zinc/46/54/58/570465458.db2.gz DQQVLAOHABORJN-UHFFFAOYSA-N 1 2 386.459 3.965 50 0 GHAALO Cc1ccccc1-n1ncc(C(=O)NCCc2cn3ccccc3[nH+]2)c1C1CC1 ZINC000029783911 570479994 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50 0 GHAALO CN(C)c1ccc(N[C@H]2CCCN(C(=O)c3cccc4[nH]ccc43)CC2)c[nH+]1 ZINC000241316808 570686566 /nfs/dbraw/zinc/68/65/66/570686566.db2.gz LVAVJYCXCPPVDZ-INIZCTEOSA-N 1 2 377.492 3.736 50 0 GHAALO COc1ccc(/C=C\C(=O)Nc2c3c([nH+]c4ccccc42)N(C)CC3)cc1OC ZINC000210979423 570723806 /nfs/dbraw/zinc/72/38/06/570723806.db2.gz SVUCYGYBOWQDOW-LUAWRHEFSA-N 1 2 389.455 3.896 50 0 GHAALO CCCC(=O)N(CCC[NH+]1CCOCC1)c1nc2ccc(Cl)cc2s1 ZINC000022997672 570775273 /nfs/dbraw/zinc/77/52/73/570775273.db2.gz PIACVFKIGQDYCM-UHFFFAOYSA-N 1 2 381.929 3.805 50 0 GHAALO Cn1cccc1-c1noc(C2CC[NH+](Cc3noc(-c4ccccc4)n3)CC2)n1 ZINC000583649517 570803641 /nfs/dbraw/zinc/80/36/41/570803641.db2.gz PTKMJSHMJDXGOS-UHFFFAOYSA-N 1 2 390.447 3.505 50 0 GHAALO COc1ccccc1[C@H](NC(=O)N[C@H](C)CCc1ccccc1)c1[nH+]ccn1C ZINC000032802559 570821098 /nfs/dbraw/zinc/82/10/98/570821098.db2.gz SVCGDQONSZZHDR-UTKZUKDTSA-N 1 2 392.503 3.839 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCCSc1ccccc1)c1cccc(F)c1 ZINC000032802415 570821111 /nfs/dbraw/zinc/82/11/11/570821111.db2.gz MHOWAUNWQZTGLR-SFHVURJKSA-N 1 2 384.480 3.740 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(Br)cc1)c1ccccc1F ZINC000012507146 570822749 /nfs/dbraw/zinc/82/27/49/570822749.db2.gz CPKIOYOORAYWAN-INIZCTEOSA-N 1 2 388.240 3.841 50 0 GHAALO CCc1[nH+]c2ccccc2n1CC(=O)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000012507780 570823574 /nfs/dbraw/zinc/82/35/74/570823574.db2.gz COYMCIXKSWNQJU-UHFFFAOYSA-N 1 2 399.878 3.730 50 0 GHAALO O=C(c1ccc(Oc2ccc(F)cc2)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000012515087 570825244 /nfs/dbraw/zinc/82/52/44/570825244.db2.gz FTFROHNRZWRGPN-UHFFFAOYSA-N 1 2 391.446 3.971 50 0 GHAALO O=C(COc1ccccc1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000003237200 570840364 /nfs/dbraw/zinc/84/03/64/570840364.db2.gz TYZFDLLPRCVVSB-UHFFFAOYSA-N 1 2 379.485 3.719 50 0 GHAALO O=C(COc1ccccc1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000003237200 570840370 /nfs/dbraw/zinc/84/03/70/570840370.db2.gz TYZFDLLPRCVVSB-UHFFFAOYSA-N 1 2 379.485 3.719 50 0 GHAALO O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cn2ccccc2[nH+]1 ZINC000012540330 570840555 /nfs/dbraw/zinc/84/05/55/570840555.db2.gz KKIPBLFBDAMFMX-XMMPIXPASA-N 1 2 396.450 3.524 50 0 GHAALO C[C@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547615 570849243 /nfs/dbraw/zinc/84/92/43/570849243.db2.gz WDPCSMVCMZHRMM-YOEHRIQHSA-N 1 2 381.863 3.954 50 0 GHAALO Cc1cc2[nH+]cn(C[C@@H](O)CSc3ccc4c(c3)OCCCO4)c2cc1C ZINC000051181372 570874804 /nfs/dbraw/zinc/87/48/04/570874804.db2.gz ZNIRWTXJYJJKBT-MRXNPFEDSA-N 1 2 384.501 3.968 50 0 GHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 ZINC000024477502 570876050 /nfs/dbraw/zinc/87/60/50/570876050.db2.gz CRJUGIUGUXBSEQ-UHFFFAOYSA-N 1 2 378.476 3.566 50 0 GHAALO O=C(NC(=O)c1cccc(C(F)(F)F)c1)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000003629098 570879098 /nfs/dbraw/zinc/87/90/98/570879098.db2.gz NFOBTXLABJBEJK-GOEBONIOSA-N 1 2 384.398 3.836 50 0 GHAALO O=C(NC(=O)c1cccc(C(F)(F)F)c1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000003629098 570879101 /nfs/dbraw/zinc/87/91/01/570879101.db2.gz NFOBTXLABJBEJK-GOEBONIOSA-N 1 2 384.398 3.836 50 0 GHAALO CCN1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=S)Nc2ccccc2)CC1 ZINC000022457009 570896415 /nfs/dbraw/zinc/89/64/15/570896415.db2.gz KRADHUQCGOYLCW-APWZRJJASA-N 1 2 388.606 3.802 50 0 GHAALO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000032901288 570896805 /nfs/dbraw/zinc/89/68/05/570896805.db2.gz VVIIIVWVGNSKNN-QGZVFWFLSA-N 1 2 387.480 3.556 50 0 GHAALO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000032901288 570896807 /nfs/dbraw/zinc/89/68/07/570896807.db2.gz VVIIIVWVGNSKNN-QGZVFWFLSA-N 1 2 387.480 3.556 50 0 GHAALO Cc1c2cc(Cl)ccc2oc1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000012224837 570967978 /nfs/dbraw/zinc/96/79/78/570967978.db2.gz LIKSNDUHPCBXNK-UHFFFAOYSA-N 1 2 385.851 3.556 50 0 GHAALO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000023248941 570996612 /nfs/dbraw/zinc/99/66/12/570996612.db2.gz VLFYJEQKEWNILC-ZWKOTPCHSA-N 1 2 385.939 3.724 50 0 GHAALO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000023248941 570996614 /nfs/dbraw/zinc/99/66/14/570996614.db2.gz VLFYJEQKEWNILC-ZWKOTPCHSA-N 1 2 385.939 3.724 50 0 GHAALO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000023248942 570996623 /nfs/dbraw/zinc/99/66/23/570996623.db2.gz VLFYJEQKEWNILC-MSOLQXFVSA-N 1 2 385.939 3.724 50 0 GHAALO C[C@@H](NC(=O)[C@H](C)N1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000023248942 570996627 /nfs/dbraw/zinc/99/66/27/570996627.db2.gz VLFYJEQKEWNILC-MSOLQXFVSA-N 1 2 385.939 3.724 50 0 GHAALO CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023296640 571049412 /nfs/dbraw/zinc/04/94/12/571049412.db2.gz XFJSWEFRHRUXFA-KXBFYZLASA-N 1 2 396.516 3.566 50 0 GHAALO COc1ccccc1N1CC[NH+](Cc2coc3ccc(Cl)cc3c2=O)CC1 ZINC000023281543 836080765 /nfs/dbraw/zinc/08/07/65/836080765.db2.gz JXUNIMRDGHOPPW-UHFFFAOYSA-N 1 2 384.863 3.777 50 0 GHAALO Cc1ccc(CNC(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2)c2cccnc12 ZINC000584896060 841188573 /nfs/dbraw/zinc/18/85/73/841188573.db2.gz WAHYUOFJFRRJPE-LJQANCHMSA-N 1 2 377.492 3.894 50 0 GHAALO Cn1cc[nH+]c1CC1CCN([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000119236904 843679377 /nfs/dbraw/zinc/67/93/77/843679377.db2.gz XCJMNDBREINNFV-IBGZPJMESA-N 1 2 386.927 3.524 50 0 GHAALO Cc1nc(-c2ccccc2C[NH+]2CCC(Cc3ccncc3)CC2)[nH]c(=O)c1F ZINC000023130020 848826680 /nfs/dbraw/zinc/82/66/80/848826680.db2.gz QEPIMMLLGRBJEK-UHFFFAOYSA-N 1 2 392.478 3.734 50 0 GHAALO c1cc([C@H]2CCCCO2)oc1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000820408712 861983439 /nfs/dbraw/zinc/98/34/39/861983439.db2.gz BPWUSINABBYNIA-LJQANCHMSA-N 1 2 384.476 3.568 50 0 GHAALO c1cc([C@H]2CCCCO2)oc1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000820408712 861983447 /nfs/dbraw/zinc/98/34/47/861983447.db2.gz BPWUSINABBYNIA-LJQANCHMSA-N 1 2 384.476 3.568 50 0 GHAALO O=C(c1c2c(sc1-n1cccc1)CCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000009048585 856726961 /nfs/dbraw/zinc/72/69/61/856726961.db2.gz KFSLDKCHTWHSDA-UHFFFAOYSA-N 1 2 392.528 3.775 50 0 GHAALO Cc1noc(C[NH+]2CCC3(C[C@H]3c3nc(-c4cccc(Cl)c4)no3)CC2)n1 ZINC000069668218 856966487 /nfs/dbraw/zinc/96/64/87/856966487.db2.gz ZNGMKMVZSKCYMV-HNNXBMFYSA-N 1 2 385.855 3.851 50 0 GHAALO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000067387273 858550325 /nfs/dbraw/zinc/55/03/25/858550325.db2.gz IUMPHGLJSJEKDN-UHFFFAOYSA-N 1 2 375.332 4.000 50 0 GHAALO O=C(NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1cc(C2CC2)on1 ZINC000077200678 859511601 /nfs/dbraw/zinc/51/16/01/859511601.db2.gz YBGAJSWTTBETOC-LJQANCHMSA-N 1 2 377.444 3.674 50 0 GHAALO O=C(NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1cc(C2CC2)on1 ZINC000077200678 859511607 /nfs/dbraw/zinc/51/16/07/859511607.db2.gz YBGAJSWTTBETOC-LJQANCHMSA-N 1 2 377.444 3.674 50 0 GHAALO Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)c(C)c1 ZINC000096686933 861017776 /nfs/dbraw/zinc/01/77/76/861017776.db2.gz INGDTEXDKUNPOF-UHFFFAOYSA-N 1 2 381.457 3.752 50 0 GHAALO Cc1cc(C(=O)CCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c(C)s1 ZINC000022226918 861062011 /nfs/dbraw/zinc/06/20/11/861062011.db2.gz HNMYVDJWBCBZDC-UHFFFAOYSA-N 1 2 384.545 3.981 50 0 GHAALO COc1cccc(S(=O)(=O)N2CC[C@@H](n3c(C)c[nH+]c3-c3ccccc3)C2)c1 ZINC000575548714 866188677 /nfs/dbraw/zinc/18/86/77/866188677.db2.gz JAOMPRXPHRGVLO-GOSISDBHSA-N 1 2 397.500 3.503 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1C1CCN(C(=O)NCCc2ccccc2)CC1 ZINC000575548608 866189210 /nfs/dbraw/zinc/18/92/10/866189210.db2.gz FFSXRQJYWFLUJD-UHFFFAOYSA-N 1 2 389.503 3.843 50 0 GHAALO Cc1c[nH+]c(C2CN(C(=O)[C@H](C)Oc3ccccc3)C2)n1Cc1ccccc1 ZINC000575552489 866192335 /nfs/dbraw/zinc/19/23/35/866192335.db2.gz BDDKNRAHZDMTMF-SFHVURJKSA-N 1 2 375.472 3.633 50 0 GHAALO CO[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)[C@H]1c1cccnc1 ZINC000575560793 866208292 /nfs/dbraw/zinc/20/82/92/866208292.db2.gz YIIMKWRVPCRSNS-VXKWHMMOSA-N 1 2 394.519 3.767 50 0 GHAALO CO[C@H]1C[N@H+](C2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)[C@H]1c1cccnc1 ZINC000575560793 866208307 /nfs/dbraw/zinc/20/83/07/866208307.db2.gz YIIMKWRVPCRSNS-VXKWHMMOSA-N 1 2 394.519 3.767 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000581806890 870037008 /nfs/dbraw/zinc/03/70/08/870037008.db2.gz CFDPXYXEDUDJNR-FQEVSTJZSA-N 1 2 375.476 3.800 50 0 GHAALO O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)[C@@H]1OCC[C@@H]1Cn1cc[nH+]c1 ZINC000621408538 884214219 /nfs/dbraw/zinc/21/42/19/884214219.db2.gz DIXHXWZEQALXMH-HLAWJBBLSA-N 1 2 395.890 3.847 50 0 GHAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3oc(C)c(C)c3c(N)n2)c(OC)c1 ZINC000154222422 890415687 /nfs/dbraw/zinc/41/56/87/890415687.db2.gz NWTKYCDBKZQDPY-INIZCTEOSA-N 1 2 382.464 3.776 50 0 GHAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc3oc(C)c(C)c3c(N)n2)c(OC)c1 ZINC000154222422 890415693 /nfs/dbraw/zinc/41/56/93/890415693.db2.gz NWTKYCDBKZQDPY-INIZCTEOSA-N 1 2 382.464 3.776 50 0 GHAALO COc1ccc(-n2ccnc2CN[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000952987314 904674529 /nfs/dbraw/zinc/67/45/29/904674529.db2.gz LHOSSJXTQFOSSN-KRWDZBQOSA-N 1 2 382.533 3.697 50 0 GHAALO COc1ccc(-n2ccnc2CN[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000952987314 904674541 /nfs/dbraw/zinc/67/45/41/904674541.db2.gz LHOSSJXTQFOSSN-KRWDZBQOSA-N 1 2 382.533 3.697 50 0 GHAALO Cc1nnc(SCCCNC(=O)Nc2cc3[nH]c[nH+]c3c(C)c2C)s1 ZINC000426373887 231209364 /nfs/dbraw/zinc/20/93/64/231209364.db2.gz YBIPQPGWSNEXDP-UHFFFAOYSA-N 1 2 376.511 3.644 50 0 GHAALO Cc1nnc(SCCCNC(=O)Nc2cc3[nH+]c[nH]c3c(C)c2C)s1 ZINC000426373887 231209368 /nfs/dbraw/zinc/20/93/68/231209368.db2.gz YBIPQPGWSNEXDP-UHFFFAOYSA-N 1 2 376.511 3.644 50 0 GHAALO Cc1cccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccccc3)CC2)c1C ZINC000001467513 212247704 /nfs/dbraw/zinc/24/77/04/212247704.db2.gz PMKQTXGSBPOQLB-UHFFFAOYSA-N 1 2 384.487 3.759 50 0 GHAALO Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(C[NH+]3CCCCCC3)C2=O)cc1 ZINC000001320694 212235137 /nfs/dbraw/zinc/23/51/37/212235137.db2.gz BPASMLZCJCRINA-DEOSSOPVSA-N 1 2 392.499 3.636 50 0 GHAALO O=C(CSc1[nH+]cnc2c1cnn2CCc1ccccc1)Nc1ccccc1 ZINC000000646854 212169415 /nfs/dbraw/zinc/16/94/15/212169415.db2.gz GLGCMOSAJQQBNK-UHFFFAOYSA-N 1 2 389.484 3.800 50 0 GHAALO O=C(CCSc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000244975248 212133468 /nfs/dbraw/zinc/13/34/68/212133468.db2.gz IIAIAXQRPTWVGX-KRWDZBQOSA-N 1 2 376.547 3.668 50 0 GHAALO O=C(NC[C@@H](c1ccoc1)[NH+]1CCSCC1)c1ccc(Br)cc1 ZINC000239808098 212132782 /nfs/dbraw/zinc/13/27/82/212132782.db2.gz KHFNYXXRHMROCY-INIZCTEOSA-N 1 2 395.322 3.562 50 0 GHAALO CCCCc1[nH+]c2ccccc2n1CC(=O)Nc1ccnn1Cc1ccccn1 ZINC000009217139 221073746 /nfs/dbraw/zinc/07/37/46/221073746.db2.gz FKDLCCSFMMICML-UHFFFAOYSA-N 1 2 388.475 3.657 50 0 GHAALO CC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)CC1 ZINC000009265178 221075904 /nfs/dbraw/zinc/07/59/04/221075904.db2.gz DLMFQIYKPLSRNU-UHFFFAOYSA-N 1 2 395.434 3.602 50 0 GHAALO O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000009341708 221078566 /nfs/dbraw/zinc/07/85/66/221078566.db2.gz UPFGDAUDYGAPQW-UHFFFAOYSA-N 1 2 384.439 3.852 50 0 GHAALO CCCS(=O)(=O)Nc1ccc(Nc2nc(N(CC)CC)cc(C)[nH+]2)cc1 ZINC000009572537 221085246 /nfs/dbraw/zinc/08/52/46/221085246.db2.gz XFEMFWSIFGGTPC-UHFFFAOYSA-N 1 2 377.514 3.527 50 0 GHAALO COc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000011998791 221141885 /nfs/dbraw/zinc/14/18/85/221141885.db2.gz IVUCOLULUPEEMG-QGZVFWFLSA-N 1 2 377.444 3.840 50 0 GHAALO COc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000011998791 221141888 /nfs/dbraw/zinc/14/18/88/221141888.db2.gz IVUCOLULUPEEMG-QGZVFWFLSA-N 1 2 377.444 3.840 50 0 GHAALO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccn3)cc2)n1 ZINC000012298349 221175465 /nfs/dbraw/zinc/17/54/65/221175465.db2.gz CEAOBWVQZRDFEK-JOCHJYFZSA-N 1 2 389.503 3.877 50 0 GHAALO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccccn3)cc2)n1 ZINC000012298349 221175468 /nfs/dbraw/zinc/17/54/68/221175468.db2.gz CEAOBWVQZRDFEK-JOCHJYFZSA-N 1 2 389.503 3.877 50 0 GHAALO O=C(c1n[nH]c2ccccc21)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000012393322 221189369 /nfs/dbraw/zinc/18/93/69/221189369.db2.gz TZLXQEPOROXRGJ-UHFFFAOYSA-N 1 2 388.393 3.540 50 0 GHAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)c1 ZINC000012797252 221233824 /nfs/dbraw/zinc/23/38/24/221233824.db2.gz IFCOAFNEKKMVNQ-UHFFFAOYSA-N 1 2 378.354 3.671 50 0 GHAALO O=C(c1cc(Br)cs1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000013326076 221264878 /nfs/dbraw/zinc/26/48/78/221264878.db2.gz TVDRDZRNTSYVLD-UHFFFAOYSA-N 1 2 379.323 3.511 50 0 GHAALO Cc1cc(N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)nc(C(C)C)[nH+]1 ZINC000013985430 221294061 /nfs/dbraw/zinc/29/40/61/221294061.db2.gz SUUGSKZPQXFALB-UHFFFAOYSA-N 1 2 391.519 3.671 50 0 GHAALO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000014198012 221304100 /nfs/dbraw/zinc/30/41/00/221304100.db2.gz KDSOIEDEDGEJKY-QHCPKHFHSA-N 1 2 397.494 3.980 50 0 GHAALO C[N@H+](Cc1ccc(C(C)(C)C)cc1)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O ZINC000014198012 221304103 /nfs/dbraw/zinc/30/41/03/221304103.db2.gz KDSOIEDEDGEJKY-QHCPKHFHSA-N 1 2 397.494 3.980 50 0 GHAALO O[C@H](c1ccccc1)C1CC[NH+](Cc2nc(Cc3ccccc3F)no2)CC1 ZINC000014970269 221322104 /nfs/dbraw/zinc/32/21/04/221322104.db2.gz JOZWTABALDSTFO-JOCHJYFZSA-N 1 2 381.451 3.745 50 0 GHAALO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000014708320 221314585 /nfs/dbraw/zinc/31/45/85/221314585.db2.gz YVJUOKKYWLHPJW-AWEZNQCLSA-N 1 2 382.489 3.754 50 0 GHAALO C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018047637 221386248 /nfs/dbraw/zinc/38/62/48/221386248.db2.gz WXVHCTUONINNPE-KBPBESRZSA-N 1 2 392.484 3.796 50 0 GHAALO Cn1cc(-c2ccc(F)c(C(=O)Nc3cc[nH+]cc3N3CCCCC3)c2)cn1 ZINC000097108201 136188130 /nfs/dbraw/zinc/18/81/30/136188130.db2.gz CCYITXYIUHHRBM-UHFFFAOYSA-N 1 2 379.439 3.864 50 0 GHAALO COc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000023157280 221586588 /nfs/dbraw/zinc/58/65/88/221586588.db2.gz WWATUSHQVSRAIO-PBFPGSCMSA-N 1 2 386.521 3.881 50 0 GHAALO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cnn(C)c1 ZINC000052929247 222008293 /nfs/dbraw/zinc/00/82/93/222008293.db2.gz AHJKEHXIDLRZAD-UHFFFAOYSA-N 1 2 388.821 3.941 50 0 GHAALO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1cnn(C)c1 ZINC000052929247 222008297 /nfs/dbraw/zinc/00/82/97/222008297.db2.gz AHJKEHXIDLRZAD-UHFFFAOYSA-N 1 2 388.821 3.941 50 0 GHAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1ccc(Cl)cc1)CC3 ZINC000065034961 222096676 /nfs/dbraw/zinc/09/66/76/222096676.db2.gz MXECNOGPKIAMSB-UHFFFAOYSA-N 1 2 395.890 3.795 50 0 GHAALO Cc1cc(C)c2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)CC3 ZINC000065034961 222096678 /nfs/dbraw/zinc/09/66/78/222096678.db2.gz MXECNOGPKIAMSB-UHFFFAOYSA-N 1 2 395.890 3.795 50 0 GHAALO Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)c(F)c2F)[NH+]2CCCC2)cc1 ZINC000060920432 222060756 /nfs/dbraw/zinc/06/07/56/222060756.db2.gz DCUNBFRJUOBCRL-MRXNPFEDSA-N 1 2 398.450 3.528 50 0 GHAALO CCCOC(=O)c1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000061331902 222061659 /nfs/dbraw/zinc/06/16/59/222061659.db2.gz LOZJSWLGOHNMLM-UHFFFAOYSA-N 1 2 382.464 3.570 50 0 GHAALO Cc1cc2c(cc1O)NC(=O)C[C@@H]2c1ccccc1OCCCn1cc[nH+]c1 ZINC000065408564 222127894 /nfs/dbraw/zinc/12/78/94/222127894.db2.gz LHTHKWBHAPYLHZ-QGZVFWFLSA-N 1 2 377.444 3.840 50 0 GHAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1c[nH]c2ccccc21 ZINC000067673333 222154688 /nfs/dbraw/zinc/15/46/88/222154688.db2.gz GLALBORBMOUDIU-UHFFFAOYSA-N 1 2 385.471 3.567 50 0 GHAALO c1cn(C[C@H](c2ccccn2)[NH+]2CCOCC2)c(-c2ccc3ccccc3n2)n1 ZINC000071759527 222193883 /nfs/dbraw/zinc/19/38/83/222193883.db2.gz YGPNOYYNGNGENN-JOCHJYFZSA-N 1 2 385.471 3.567 50 0 GHAALO O=C(Nc1ccccc1F)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095504041 222336331 /nfs/dbraw/zinc/33/63/31/222336331.db2.gz CPRXXJBUGIQCLP-QGZVFWFLSA-N 1 2 379.439 3.877 50 0 GHAALO Cn1nc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cc1-c1ccccc1 ZINC000095504039 222337068 /nfs/dbraw/zinc/33/70/68/222337068.db2.gz GOLDWCHIJANLJS-LJQANCHMSA-N 1 2 389.503 3.713 50 0 GHAALO O=C(Cc1c[nH+]c2ccccn12)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000077503655 222285486 /nfs/dbraw/zinc/28/54/86/222285486.db2.gz CLQJSQXSCLIULE-UHFFFAOYSA-N 1 2 385.471 3.673 50 0 GHAALO CC(C)n1ccc2cc(C(=O)N3CC[NH+](CCc4ccccn4)CC3)ccc21 ZINC000079480996 222305631 /nfs/dbraw/zinc/30/56/31/222305631.db2.gz VLDKIUQSNVVYSH-UHFFFAOYSA-N 1 2 376.504 3.618 50 0 GHAALO Cc1nn(CCC(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)c(C)c1C ZINC000095523978 222348993 /nfs/dbraw/zinc/34/89/93/222348993.db2.gz JNMRHVVDXJOKAW-HXUWFJFHSA-N 1 2 383.540 3.601 50 0 GHAALO COc1ccc2ccccc2c1C[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000019774050 570218296 /nfs/dbraw/zinc/21/82/96/570218296.db2.gz LHPRSCATENTPER-UHFFFAOYSA-N 1 2 378.447 3.946 50 0 GHAALO CC1(C)CCc2cc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2O1 ZINC000019835039 570223852 /nfs/dbraw/zinc/22/38/52/570223852.db2.gz QPHMLJNVGVZEOY-UHFFFAOYSA-N 1 2 394.515 3.837 50 0 GHAALO COc1ccc(C)cc1NC(=O)CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019854144 570225586 /nfs/dbraw/zinc/22/55/86/570225586.db2.gz YFLAVLYGMQOPIO-RMKNXTFCSA-N 1 2 393.531 3.663 50 0 GHAALO CCCCc1c(O)nc(SCC[NH+](CC)CC)n(-c2ccccc2)c1=O ZINC000020064573 570238509 /nfs/dbraw/zinc/23/85/09/570238509.db2.gz HKFFMWAEJZJLFI-UHFFFAOYSA-N 1 2 375.538 3.715 50 0 GHAALO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3nc4cc(F)ccc4[nH]3)C2)cc1OC ZINC000020166290 570245618 /nfs/dbraw/zinc/24/56/18/570245618.db2.gz WLPKSVXPJLRLHB-OAHLLOKOSA-N 1 2 397.450 3.814 50 0 GHAALO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4cc(F)ccc4[nH]3)C2)cc1OC ZINC000020166290 570245621 /nfs/dbraw/zinc/24/56/21/570245621.db2.gz WLPKSVXPJLRLHB-OAHLLOKOSA-N 1 2 397.450 3.814 50 0 GHAALO COc1ccc2c(CN3CCC[N@H+](Cc4ccc(F)cc4)C3)cc(=O)oc2c1 ZINC000020274012 570251072 /nfs/dbraw/zinc/25/10/72/570251072.db2.gz ACPUTJOKKBYQIW-UHFFFAOYSA-N 1 2 382.435 3.606 50 0 GHAALO COc1ccc2c(CN3CCC[N@@H+](Cc4ccc(F)cc4)C3)cc(=O)oc2c1 ZINC000020274012 570251074 /nfs/dbraw/zinc/25/10/74/570251074.db2.gz ACPUTJOKKBYQIW-UHFFFAOYSA-N 1 2 382.435 3.606 50 0 GHAALO O=C(CC1=CSC2=[NH+]CCN12)N1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000101996059 570286429 /nfs/dbraw/zinc/28/64/29/570286429.db2.gz ROTSQODIQXXLMO-CQSZACIVSA-N 1 2 391.487 3.786 50 0 GHAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(C(=O)c4ccco4)CC3)c2cc1C(C)C ZINC000022287049 570312540 /nfs/dbraw/zinc/31/25/40/570312540.db2.gz KDNOIJIEHLZBAN-UHFFFAOYSA-N 1 2 394.471 3.776 50 0 GHAALO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000022789783 570327798 /nfs/dbraw/zinc/32/77/98/570327798.db2.gz LOUPLLMTJMOUDK-HNNXBMFYSA-N 1 2 375.875 3.796 50 0 GHAALO Cc1n[nH]cc1-c1nc(-c2c(C)ncc3c2CC[N@H+](Cc2ccccc2)C3)no1 ZINC000023506968 570364114 /nfs/dbraw/zinc/36/41/14/570364114.db2.gz VVRBFRPLMMGTEL-UHFFFAOYSA-N 1 2 386.459 3.697 50 0 GHAALO Cc1n[nH]cc1-c1nc(-c2c(C)ncc3c2CC[N@@H+](Cc2ccccc2)C3)no1 ZINC000023506968 570364118 /nfs/dbraw/zinc/36/41/18/570364118.db2.gz VVRBFRPLMMGTEL-UHFFFAOYSA-N 1 2 386.459 3.697 50 0 GHAALO C[NH+](C)c1ccc(N[C@@H]2CC(=O)N(c3ccc(SC(F)F)cc3)C2=O)cc1 ZINC000004317749 570367494 /nfs/dbraw/zinc/36/74/94/570367494.db2.gz UKFXSPUGMHGMAP-MRXNPFEDSA-N 1 2 391.443 3.811 50 0 GHAALO C[C@H]1CCCC[C@]12NC(=O)N(C[N@H+](C)Cc1ccccc1N1CCCCC1)C2=O ZINC000023653866 570368648 /nfs/dbraw/zinc/36/86/48/570368648.db2.gz DCSMMPSNQWRKAJ-MBSDFSHPSA-N 1 2 398.551 3.567 50 0 GHAALO C[C@H]1CCCC[C@]12NC(=O)N(C[N@@H+](C)Cc1ccccc1N1CCCCC1)C2=O ZINC000023653866 570368654 /nfs/dbraw/zinc/36/86/54/570368654.db2.gz DCSMMPSNQWRKAJ-MBSDFSHPSA-N 1 2 398.551 3.567 50 0 GHAALO O=C(Cc1csc(-c2ccccc2)n1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023735237 570370775 /nfs/dbraw/zinc/37/07/75/570370775.db2.gz YKLZASUFUGVTPL-UHFFFAOYSA-N 1 2 383.542 3.759 50 0 GHAALO COc1ccc2cc([C@H](C)C(=O)N3CC[NH+](Cc4ccncc4)CC3)ccc2c1 ZINC000023846588 570373621 /nfs/dbraw/zinc/37/36/21/570373621.db2.gz LMIYKHCAVULSCR-SFHVURJKSA-N 1 2 389.499 3.691 50 0 GHAALO O=C(Cc1csc(-c2ccsc2)n1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000032860068 570395570 /nfs/dbraw/zinc/39/55/70/570395570.db2.gz YZHUBTJVTJBHFB-UHFFFAOYSA-N 1 2 394.525 3.975 50 0 GHAALO COc1cccc([C@H](C2Sc3nc(C)nn3C2=O)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000033684967 570397166 /nfs/dbraw/zinc/39/71/66/570397166.db2.gz XEFGXOBSBXOELZ-GDZNZVCISA-N 1 2 386.521 3.881 50 0 GHAALO O=C(CSc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1)NC1CCCCC1 ZINC000005143135 570426091 /nfs/dbraw/zinc/42/60/91/570426091.db2.gz PJQOIDMPYNSIRK-UHFFFAOYSA-N 1 2 393.516 3.870 50 0 GHAALO Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000027544945 570435526 /nfs/dbraw/zinc/43/55/26/570435526.db2.gz SAOOMIDNLBFYPM-UHFFFAOYSA-N 1 2 386.455 3.754 50 0 GHAALO Cc1ccc([C@H](CNC(=O)COc2ccc(C(C)C)cc2)[NH+]2CCOCC2)cc1 ZINC000027581428 570436429 /nfs/dbraw/zinc/43/64/29/570436429.db2.gz FTKWVVNLWNNBHS-QHCPKHFHSA-N 1 2 396.531 3.687 50 0 GHAALO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000035828575 570459771 /nfs/dbraw/zinc/45/97/71/570459771.db2.gz LMNRGGVWDQLWKF-UHFFFAOYSA-N 1 2 397.862 3.605 50 0 GHAALO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000035828575 570459774 /nfs/dbraw/zinc/45/97/74/570459774.db2.gz LMNRGGVWDQLWKF-UHFFFAOYSA-N 1 2 397.862 3.605 50 0 GHAALO Cc1nc2ccccc2nc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000030003824 570484466 /nfs/dbraw/zinc/48/44/66/570484466.db2.gz QFJSZVBJKLJAQV-UHFFFAOYSA-N 1 2 382.895 3.793 50 0 GHAALO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000036079835 570528962 /nfs/dbraw/zinc/52/89/62/570528962.db2.gz WCXFLZKHMRSYFL-UHFFFAOYSA-N 1 2 397.862 3.605 50 0 GHAALO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000036079835 570528966 /nfs/dbraw/zinc/52/89/66/570528966.db2.gz WCXFLZKHMRSYFL-UHFFFAOYSA-N 1 2 397.862 3.605 50 0 GHAALO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000022788072 570546818 /nfs/dbraw/zinc/54/68/18/570546818.db2.gz FNRSOHSFDYESQC-QZTJIDSGSA-N 1 2 385.939 3.724 50 0 GHAALO C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000022788072 570546823 /nfs/dbraw/zinc/54/68/23/570546823.db2.gz FNRSOHSFDYESQC-QZTJIDSGSA-N 1 2 385.939 3.724 50 0 GHAALO O=S(=O)(c1ccc2ccccc2c1)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000035388646 570552135 /nfs/dbraw/zinc/55/21/35/570552135.db2.gz YGERKLMLFSQKKL-UHFFFAOYSA-N 1 2 394.540 3.779 50 0 GHAALO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907176 570563387 /nfs/dbraw/zinc/56/33/87/570563387.db2.gz RMAZCXLYBWBLDQ-NRFANRHFSA-N 1 2 396.512 3.666 50 0 GHAALO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907176 570563390 /nfs/dbraw/zinc/56/33/90/570563390.db2.gz RMAZCXLYBWBLDQ-NRFANRHFSA-N 1 2 396.512 3.666 50 0 GHAALO Cc1cccc(N2C[C@H](C(=O)Nc3cc(-c4[nH]cc[nH+]4)ccc3C)CC2=O)c1C ZINC000225437239 570574179 /nfs/dbraw/zinc/57/41/79/570574179.db2.gz HFDDWWXYXJAGTH-GOSISDBHSA-N 1 2 388.471 3.994 50 0 GHAALO C[C@H](c1ccc2c(c1)OCCO2)[N@H+](C)Cc1nc(COc2ccccc2)no1 ZINC000039461054 570592267 /nfs/dbraw/zinc/59/22/67/570592267.db2.gz SOPFNMDDFWJHSC-OAHLLOKOSA-N 1 2 381.432 3.613 50 0 GHAALO C[C@H](c1ccc2c(c1)OCCO2)[N@@H+](C)Cc1nc(COc2ccccc2)no1 ZINC000039461054 570592269 /nfs/dbraw/zinc/59/22/69/570592269.db2.gz SOPFNMDDFWJHSC-OAHLLOKOSA-N 1 2 381.432 3.613 50 0 GHAALO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000030558679 570615986 /nfs/dbraw/zinc/61/59/86/570615986.db2.gz XTOKXGXJHLACQM-UHFFFAOYSA-N 1 2 394.475 3.802 50 0 GHAALO Clc1cccc(OCc2ccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)cc2)c1 ZINC000006828838 570627263 /nfs/dbraw/zinc/62/72/63/570627263.db2.gz MUMFJRUDQNBYOH-UHFFFAOYSA-N 1 2 376.807 3.900 50 0 GHAALO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000022929527 570646539 /nfs/dbraw/zinc/64/65/39/570646539.db2.gz UGKUHBUHVTWWFU-JKSUJKDBSA-N 1 2 391.968 3.785 50 0 GHAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000058166769 570713884 /nfs/dbraw/zinc/71/38/84/570713884.db2.gz FJILQYXYDXWLPP-UHFFFAOYSA-N 1 2 381.867 3.655 50 0 GHAALO Cc1ccc(C(=O)N2CCC[C@@]3(C2)Nc2ccccc2NC3=[NH+]C(C)(C)C)cn1 ZINC000065260079 570762325 /nfs/dbraw/zinc/76/23/25/570762325.db2.gz OATLOWZUMZREJS-QHCPKHFHSA-N 1 2 391.519 3.909 50 0 GHAALO Cc1ccc(C)c2sc(N(CCC[NH+]3CCOCC3)C(=O)c3ccco3)nc21 ZINC000022997831 570775266 /nfs/dbraw/zinc/77/52/66/570775266.db2.gz IYSQUEGDUXJYGI-UHFFFAOYSA-N 1 2 399.516 3.875 50 0 GHAALO Cc1ccc2[nH]c(C[NH+]3CCC(n4nccc4NC(=O)C4CC4)CC3)nc2c1C ZINC000067560566 570781609 /nfs/dbraw/zinc/78/16/09/570781609.db2.gz RBAIHNOUXUSZNS-UHFFFAOYSA-N 1 2 392.507 3.562 50 0 GHAALO Cc1ccc2nc(C[NH+]3CCC(n4nccc4NC(=O)C4CC4)CC3)[nH]c2c1C ZINC000067560566 570781610 /nfs/dbraw/zinc/78/16/10/570781610.db2.gz RBAIHNOUXUSZNS-UHFFFAOYSA-N 1 2 392.507 3.562 50 0 GHAALO C[C@@H](C(=O)N(C)C)[N@@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067586970 570782191 /nfs/dbraw/zinc/78/21/91/570782191.db2.gz GYHOKEZEAWUPHH-KRWDZBQOSA-N 1 2 389.499 3.690 50 0 GHAALO C[C@@H](C(=O)N(C)C)[N@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067586970 570782193 /nfs/dbraw/zinc/78/21/93/570782193.db2.gz GYHOKEZEAWUPHH-KRWDZBQOSA-N 1 2 389.499 3.690 50 0 GHAALO Cc1cc(N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)nc(C(C)C)[nH+]1 ZINC000032797356 570819425 /nfs/dbraw/zinc/81/94/25/570819425.db2.gz ZOCMEDNJVNNWNE-UHFFFAOYSA-N 1 2 384.915 3.532 50 0 GHAALO Cc1[nH]c2c(c1C(=O)N[C@H]1CCC[N@H+](Cc3ccc(Cl)cc3)C1)C(=O)CCC2 ZINC000072145028 570871099 /nfs/dbraw/zinc/87/10/99/570871099.db2.gz RAUMOWBMWHRDHL-KRWDZBQOSA-N 1 2 399.922 3.890 50 0 GHAALO Cc1[nH]c2c(c1C(=O)N[C@H]1CCC[N@@H+](Cc3ccc(Cl)cc3)C1)C(=O)CCC2 ZINC000072145028 570871100 /nfs/dbraw/zinc/87/11/00/570871100.db2.gz RAUMOWBMWHRDHL-KRWDZBQOSA-N 1 2 399.922 3.890 50 0 GHAALO C[C@H](c1nc(C(C)(C)C)no1)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027307342 570992905 /nfs/dbraw/zinc/99/29/05/570992905.db2.gz RFAOLUAHZHUXBQ-GFCCVEGCSA-N 1 2 398.429 3.852 50 0 GHAALO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027307342 570992910 /nfs/dbraw/zinc/99/29/10/570992910.db2.gz RFAOLUAHZHUXBQ-GFCCVEGCSA-N 1 2 398.429 3.852 50 0 GHAALO CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000004955263 571030172 /nfs/dbraw/zinc/03/01/72/571030172.db2.gz DZVJAAPHUZBACQ-IBGZPJMESA-N 1 2 376.504 3.917 50 0 GHAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c(F)c(F)ccc2OC)C1 ZINC000095359019 571054198 /nfs/dbraw/zinc/05/41/98/571054198.db2.gz FHUBRBYQLDADOX-CQSZACIVSA-N 1 2 377.435 3.990 50 0 GHAALO COc1ccccc1OC1CC[NH+](Cc2nc(N)c3cc(C)ccc3n2)CC1 ZINC000299768293 840766170 /nfs/dbraw/zinc/76/61/70/840766170.db2.gz LTKHTHZAEWFLRE-UHFFFAOYSA-N 1 2 378.476 3.572 50 0 GHAALO Cc1nc(N2CCC(NC(=O)c3ccc(Cl)s3)CC2)c2c([nH+]1)CCCC2 ZINC000225740296 861266730 /nfs/dbraw/zinc/26/67/30/861266730.db2.gz MGEKKGCFTQTJLW-UHFFFAOYSA-N 1 2 390.940 3.778 50 0 GHAALO C[C@@H]1CN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC2(CCCCC2)O1 ZINC000888093874 842460490 /nfs/dbraw/zinc/46/04/90/842460490.db2.gz BRAQBMIWHUXUOF-LJQANCHMSA-N 1 2 396.535 3.607 50 0 GHAALO COc1ccc(CC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1 ZINC000003649800 862541421 /nfs/dbraw/zinc/54/14/21/862541421.db2.gz VPWFWCJEUZINQQ-UHFFFAOYSA-N 1 2 391.471 3.570 50 0 GHAALO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)c1 ZINC000008754624 856347687 /nfs/dbraw/zinc/34/76/87/856347687.db2.gz RPELGHVTGBDHGX-INIZCTEOSA-N 1 2 381.501 3.819 50 0 GHAALO COc1cccc([C@@H]2CCC[N@H+]2Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)c1 ZINC000008754624 856347700 /nfs/dbraw/zinc/34/77/00/856347700.db2.gz RPELGHVTGBDHGX-INIZCTEOSA-N 1 2 381.501 3.819 50 0 GHAALO COC(=O)c1c2c(sc1NC(=O)c1ccc3ccccc3c1)C[N@@H+](C)CC2 ZINC000004223505 862884277 /nfs/dbraw/zinc/88/42/77/862884277.db2.gz HESSNKHBPYMTBQ-UHFFFAOYSA-N 1 2 380.469 3.928 50 0 GHAALO COC(=O)c1c2c(sc1NC(=O)c1ccc3ccccc3c1)C[N@H+](C)CC2 ZINC000004223505 862884291 /nfs/dbraw/zinc/88/42/91/862884291.db2.gz HESSNKHBPYMTBQ-UHFFFAOYSA-N 1 2 380.469 3.928 50 0 GHAALO CN(Cc1ccc(Br)cc1)C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000010106654 857407953 /nfs/dbraw/zinc/40/79/53/857407953.db2.gz NXAXDVAKFFRFMZ-UHFFFAOYSA-N 1 2 379.323 3.527 50 0 GHAALO CN(Cc1ccc(Br)cc1)C(=O)C[N@H+]1CCc2sccc2C1 ZINC000010106654 857407956 /nfs/dbraw/zinc/40/79/56/857407956.db2.gz NXAXDVAKFFRFMZ-UHFFFAOYSA-N 1 2 379.323 3.527 50 0 GHAALO O=C(Nc1ccccc1)O[C@@H](C[NH+]1CCN(c2ccccc2)CC1)C(F)(F)F ZINC000020219005 860519076 /nfs/dbraw/zinc/51/90/76/860519076.db2.gz XTTGJFQANXUSNS-SFHVURJKSA-N 1 2 393.409 3.988 50 0 GHAALO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000179069385 866111942 /nfs/dbraw/zinc/11/19/42/866111942.db2.gz XQFMLVSYTRHZEO-GOSISDBHSA-N 1 2 399.922 3.729 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1C[C@@H]1CCCN(C(=O)c2ccc(C)nc2)C1 ZINC000581807932 870037994 /nfs/dbraw/zinc/03/79/94/870037994.db2.gz UCILTJPUXOWFDU-GOSISDBHSA-N 1 2 375.476 3.509 50 0 GHAALO Cc1c[nH+]c(-c2ccncc2)n1C[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000581807707 870038991 /nfs/dbraw/zinc/03/89/91/870038991.db2.gz MLJSKNZTEZVONH-IBGZPJMESA-N 1 2 392.478 3.874 50 0 GHAALO Fc1ccc(OCc2nc(C[N@@H+]3CC[C@H](Oc4cccnc4)C3)cs2)cc1 ZINC000152428568 878316839 /nfs/dbraw/zinc/31/68/39/878316839.db2.gz FTGMXNKZEFJXHW-IBGZPJMESA-N 1 2 385.464 3.910 50 0 GHAALO Fc1ccc(OCc2nc(C[N@H+]3CC[C@H](Oc4cccnc4)C3)cs2)cc1 ZINC000152428568 878316849 /nfs/dbraw/zinc/31/68/49/878316849.db2.gz FTGMXNKZEFJXHW-IBGZPJMESA-N 1 2 385.464 3.910 50 0 GHAALO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CCO[C@H](c2ccsc2)C1 ZINC000153657226 887223998 /nfs/dbraw/zinc/22/39/98/887223998.db2.gz AZKSFOKCVNTNMK-IBGZPJMESA-N 1 2 398.488 3.629 50 0 GHAALO CC[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000952978093 904658048 /nfs/dbraw/zinc/65/80/48/904658048.db2.gz KJJCDBJXVGMBSV-INIZCTEOSA-N 1 2 381.476 3.750 50 0 GHAALO Fc1ccc(-c2cnc(C[NH2+][C@@H](CN3CCOCC3)c3ccccc3)o2)cc1 ZINC000122569996 912183641 /nfs/dbraw/zinc/18/36/41/912183641.db2.gz IKMWCDZQVWKWHT-FQEVSTJZSA-N 1 2 381.451 3.644 50 0 GHAALO Cc1nc([C@@H](C)NC(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cs1 ZINC000426541221 231238339 /nfs/dbraw/zinc/23/83/39/231238339.db2.gz IEMGIRGHQFTISR-CYBMUJFWSA-N 1 2 378.929 3.693 50 0 GHAALO CCc1[nH+]c2cc(NC(=O)N(CCO)Cc3ccccc3C)ccc2n1CC ZINC000426555656 529748148 /nfs/dbraw/zinc/74/81/48/529748148.db2.gz QAFIAYWDAWIFFE-UHFFFAOYSA-N 1 2 380.492 3.953 50 0 GHAALO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@@H+](Cc1ccc(F)cc1F)CCO2 ZINC000299759438 222784477 /nfs/dbraw/zinc/78/44/77/222784477.db2.gz RJZWFDYSWNQUED-QFIPXVFZSA-N 1 2 382.410 3.836 50 0 GHAALO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1F)CCO2 ZINC000299759438 222784479 /nfs/dbraw/zinc/78/44/79/222784479.db2.gz RJZWFDYSWNQUED-QFIPXVFZSA-N 1 2 382.410 3.836 50 0 GHAALO CCc1ccc(C(=O)Nc2ccccc2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000010313184 212246562 /nfs/dbraw/zinc/24/65/62/212246562.db2.gz KWYCWJFPTOZTJT-UHFFFAOYSA-N 1 2 376.460 3.518 50 0 GHAALO Clc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccc3c(c2)OCO3)cc1 ZINC000000948020 212198008 /nfs/dbraw/zinc/19/80/08/212198008.db2.gz BOYQYHCLXOQWQZ-UHFFFAOYSA-N 1 2 379.807 3.810 50 0 GHAALO O=C(NC[C@H](c1ccoc1)[NH+]1CCSCC1)c1ccc(C(F)(F)F)cc1 ZINC000253401839 212135787 /nfs/dbraw/zinc/13/57/87/212135787.db2.gz NPBICICUPQLCEZ-MRXNPFEDSA-N 1 2 384.423 3.818 50 0 GHAALO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000007855252 221014708 /nfs/dbraw/zinc/01/47/08/221014708.db2.gz VBMGKLKBNADVTF-NRFANRHFSA-N 1 2 391.519 3.912 50 0 GHAALO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000007855252 221014711 /nfs/dbraw/zinc/01/47/11/221014711.db2.gz VBMGKLKBNADVTF-NRFANRHFSA-N 1 2 391.519 3.912 50 0 GHAALO Cc1cccc2nc(C[N@@H+]3CCC[C@H]3c3nc4ccccc4s3)cc(=O)n12 ZINC000007606233 221003253 /nfs/dbraw/zinc/00/32/53/221003253.db2.gz YMVLTKJZTWZPJY-KRWDZBQOSA-N 1 2 376.485 3.950 50 0 GHAALO Cc1cccc2nc(C[N@H+]3CCC[C@H]3c3nc4ccccc4s3)cc(=O)n12 ZINC000007606233 221003255 /nfs/dbraw/zinc/00/32/55/221003255.db2.gz YMVLTKJZTWZPJY-KRWDZBQOSA-N 1 2 376.485 3.950 50 0 GHAALO C[C@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008012681 221023943 /nfs/dbraw/zinc/02/39/43/221023943.db2.gz MSSLBDVYBPIQMK-JTSKRJEESA-N 1 2 391.471 3.921 50 0 GHAALO Cc1nc(N2CCN(C(=O)C(C)(C)C)CC2)c(Cc2cccc(F)c2)c(C)[nH+]1 ZINC000008299793 221036352 /nfs/dbraw/zinc/03/63/52/221036352.db2.gz YCMQGMMCRVXLRP-UHFFFAOYSA-N 1 2 384.499 3.518 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1cccc(F)c1 ZINC000008746180 221053759 /nfs/dbraw/zinc/05/37/59/221053759.db2.gz JUZWIQWGVSHJQQ-FQEVSTJZSA-N 1 2 395.459 3.780 50 0 GHAALO O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)c1ccc(O)cc1 ZINC000009339158 221078188 /nfs/dbraw/zinc/07/81/88/221078188.db2.gz GQLTWVPQQPGBCB-UHFFFAOYSA-N 1 2 394.500 3.544 50 0 GHAALO COc1cccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)c1 ZINC000008981590 221066564 /nfs/dbraw/zinc/06/65/64/221066564.db2.gz LAPVCFZMSNVWMG-SFHVURJKSA-N 1 2 393.443 3.854 50 0 GHAALO COc1cccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)c1 ZINC000008981590 221066567 /nfs/dbraw/zinc/06/65/67/221066567.db2.gz LAPVCFZMSNVWMG-SFHVURJKSA-N 1 2 393.443 3.854 50 0 GHAALO COc1ccc(OC)c(-c2nc(C[N@H+](Cc3cnn(C)c3)C(C)C)c(C)o2)c1 ZINC000011705327 221122541 /nfs/dbraw/zinc/12/25/41/221122541.db2.gz YUJVYKHYBTZMTR-UHFFFAOYSA-N 1 2 384.480 3.811 50 0 GHAALO COc1ccc(OC)c(-c2nc(C[N@@H+](Cc3cnn(C)c3)C(C)C)c(C)o2)c1 ZINC000011705327 221122544 /nfs/dbraw/zinc/12/25/44/221122544.db2.gz YUJVYKHYBTZMTR-UHFFFAOYSA-N 1 2 384.480 3.811 50 0 GHAALO C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1nc2c(s1)CCCC2 ZINC000011935506 221139175 /nfs/dbraw/zinc/13/91/75/221139175.db2.gz HWUWMBYYWRFFDZ-UHFFFAOYSA-N 1 2 382.489 3.773 50 0 GHAALO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1nc2c(s1)CCCC2 ZINC000011935506 221139180 /nfs/dbraw/zinc/13/91/80/221139180.db2.gz HWUWMBYYWRFFDZ-UHFFFAOYSA-N 1 2 382.489 3.773 50 0 GHAALO CCCC[N@H+](C)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 ZINC000012302781 221178439 /nfs/dbraw/zinc/17/84/39/221178439.db2.gz KOKZIZWZPUICRH-UHFFFAOYSA-N 1 2 381.586 3.879 50 0 GHAALO CCCC[N@@H+](C)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 ZINC000012302781 221178440 /nfs/dbraw/zinc/17/84/40/221178440.db2.gz KOKZIZWZPUICRH-UHFFFAOYSA-N 1 2 381.586 3.879 50 0 GHAALO COc1ccc(-c2cn3c(C(=O)N(C)Cc4[nH]cc(C)[nH+]4)csc3n2)cc1F ZINC000012305898 221179049 /nfs/dbraw/zinc/17/90/49/221179049.db2.gz FOIFKFYTPSGWSF-UHFFFAOYSA-N 1 2 399.451 3.514 50 0 GHAALO CCn1ccnc1C[NH+]1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000012434295 221193292 /nfs/dbraw/zinc/19/32/92/221193292.db2.gz UGCYSJCVFDCGOW-UHFFFAOYSA-N 1 2 396.535 3.573 50 0 GHAALO Cc1cc(C(=O)CCC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c(C)s1 ZINC000012535341 221202550 /nfs/dbraw/zinc/20/25/50/221202550.db2.gz DFKARSIGJSPXOY-FQEVSTJZSA-N 1 2 381.501 3.967 50 0 GHAALO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2cnc(SC)nc2)CC1 ZINC000012586139 221209542 /nfs/dbraw/zinc/20/95/42/221209542.db2.gz RGIVZIGGWHLOON-UHFFFAOYSA-N 1 2 399.560 3.977 50 0 GHAALO Cc1cc(N2CCN([C@@H](C)C(=O)Nc3ccc(C)c(F)c3)CC2)nc(C(C)C)[nH+]1 ZINC000012778151 221230382 /nfs/dbraw/zinc/23/03/82/221230382.db2.gz UKPFXDUEJQCRHB-KRWDZBQOSA-N 1 2 399.514 3.505 50 0 GHAALO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000012789217 221231323 /nfs/dbraw/zinc/23/13/23/221231323.db2.gz PWXXZIVPDIXSFK-UHFFFAOYSA-N 1 2 394.302 3.522 50 0 GHAALO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000012789217 221231329 /nfs/dbraw/zinc/23/13/29/221231329.db2.gz PWXXZIVPDIXSFK-UHFFFAOYSA-N 1 2 394.302 3.522 50 0 GHAALO C[N@@H+]1CCN(C(=O)CSc2nc3ccccc3s2)[C@@H](c2ccccc2)C1 ZINC000012912231 221245024 /nfs/dbraw/zinc/24/50/24/221245024.db2.gz AAXPGTPPHDSXLB-QGZVFWFLSA-N 1 2 383.542 3.904 50 0 GHAALO C[N@H+]1CCN(C(=O)CSc2nc3ccccc3s2)[C@@H](c2ccccc2)C1 ZINC000012912231 221245026 /nfs/dbraw/zinc/24/50/26/221245026.db2.gz AAXPGTPPHDSXLB-QGZVFWFLSA-N 1 2 383.542 3.904 50 0 GHAALO CCOC(=O)C1(C[C@@H]2CCCCO2)CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000013636802 221278159 /nfs/dbraw/zinc/27/81/59/221278159.db2.gz FQTJOOLSWKSTPP-KRWDZBQOSA-N 1 2 385.508 3.667 50 0 GHAALO COc1cc(C)c(C[NH+]2CCN(C(=O)/C=C/c3ccccc3C)CC2)cc1OC ZINC000014238137 221305775 /nfs/dbraw/zinc/30/57/75/221305775.db2.gz HDMZCNKRMCXYLH-MDZDMXLPSA-N 1 2 394.515 3.678 50 0 GHAALO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3sc(N(C)C)nc3Cl)C2)c1 ZINC000014967328 221321308 /nfs/dbraw/zinc/32/13/08/221321308.db2.gz LNBSBQYXCCSHHD-CQSZACIVSA-N 1 2 393.940 3.966 50 0 GHAALO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3sc(N(C)C)nc3Cl)C2)c1 ZINC000014967328 221321312 /nfs/dbraw/zinc/32/13/12/221321312.db2.gz LNBSBQYXCCSHHD-CQSZACIVSA-N 1 2 393.940 3.966 50 0 GHAALO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN2Cc2c[nH+]c(C)[nH]2)cc1 ZINC000015071480 221331997 /nfs/dbraw/zinc/33/19/97/221331997.db2.gz XSEKRZVSRWPKGJ-JOCHJYFZSA-N 1 2 390.487 3.997 50 0 GHAALO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN2Cc2c[nH]c(C)[nH+]2)cc1 ZINC000015071480 221332002 /nfs/dbraw/zinc/33/20/02/221332002.db2.gz XSEKRZVSRWPKGJ-JOCHJYFZSA-N 1 2 390.487 3.997 50 0 GHAALO Cc1cc(N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000016103500 221357488 /nfs/dbraw/zinc/35/74/88/221357488.db2.gz JRRXXPDELSNRAU-UHFFFAOYSA-N 1 2 389.503 3.662 50 0 GHAALO COc1cccc([C@@H](NC(=O)COc2ccc(Cl)c(C)c2)c2[nH+]ccn2C)c1 ZINC000018237602 221391180 /nfs/dbraw/zinc/39/11/80/221391180.db2.gz DPWWOBLOXKZJQH-HXUWFJFHSA-N 1 2 399.878 3.675 50 0 GHAALO COc1ccc(-c2noc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000058058206 136154372 /nfs/dbraw/zinc/15/43/72/136154372.db2.gz GUNQOLNDRNTDEZ-UHFFFAOYSA-N 1 2 384.867 3.721 50 0 GHAALO CCOc1ccc(C(=O)c2c[nH+]c3ccc(F)cc3c2N2CCOCC2)cc1 ZINC000101552210 136189699 /nfs/dbraw/zinc/18/96/99/136189699.db2.gz VZVJQGFVJUXNDY-UHFFFAOYSA-N 1 2 380.419 3.840 50 0 GHAALO CCc1noc(C)c1NC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000154159229 136195908 /nfs/dbraw/zinc/19/59/08/136195908.db2.gz KTSFYIOMCRLPFM-UHFFFAOYSA-N 1 2 380.448 3.654 50 0 GHAALO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000057286281 222030351 /nfs/dbraw/zinc/03/03/51/222030351.db2.gz CWFNGFSATGJQST-OAHLLOKOSA-N 1 2 380.473 3.920 50 0 GHAALO Cn1cccc1[C@H]1CCC[N@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000057286281 222030354 /nfs/dbraw/zinc/03/03/54/222030354.db2.gz CWFNGFSATGJQST-OAHLLOKOSA-N 1 2 380.473 3.920 50 0 GHAALO O=C(C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2s1)NC(=O)NC1CCCC1 ZINC000057315250 222030421 /nfs/dbraw/zinc/03/04/21/222030421.db2.gz HZWAOTQUSGLCQM-MRXNPFEDSA-N 1 2 386.521 3.592 50 0 GHAALO O=C(C[N@H+]1CCCC[C@@H]1c1nc2ccccc2s1)NC(=O)NC1CCCC1 ZINC000057315250 222030424 /nfs/dbraw/zinc/03/04/24/222030424.db2.gz HZWAOTQUSGLCQM-MRXNPFEDSA-N 1 2 386.521 3.592 50 0 GHAALO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)NCc1ccccc1Cl ZINC000057369449 222031725 /nfs/dbraw/zinc/03/17/25/222031725.db2.gz IQOYQUSNIFZETD-MRXNPFEDSA-N 1 2 378.925 3.699 50 0 GHAALO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)NCc1ccccc1Cl ZINC000057369449 222031728 /nfs/dbraw/zinc/03/17/28/222031728.db2.gz IQOYQUSNIFZETD-MRXNPFEDSA-N 1 2 378.925 3.699 50 0 GHAALO Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3CNC(=O)OC(C)(C)C)o2)cc1 ZINC000050962695 222005052 /nfs/dbraw/zinc/00/50/52/222005052.db2.gz RZKLTCAMSBEYFS-QGZVFWFLSA-N 1 2 386.496 3.924 50 0 GHAALO Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3CNC(=O)OC(C)(C)C)o2)cc1 ZINC000050962695 222005056 /nfs/dbraw/zinc/00/50/56/222005056.db2.gz RZKLTCAMSBEYFS-QGZVFWFLSA-N 1 2 386.496 3.924 50 0 GHAALO COc1ccc(OC)c(NC(=S)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000054254197 222012940 /nfs/dbraw/zinc/01/29/40/222012940.db2.gz SMXYPJQHZWFHJO-RMKNXTFCSA-N 1 2 397.544 3.732 50 0 GHAALO CCCc1[nH+]c2ccccc2n1[C@H](C)C(=O)NCc1nnc(-c2ccccc2)o1 ZINC000055393642 222022016 /nfs/dbraw/zinc/02/20/16/222022016.db2.gz ACTXXWNMSCMTRO-OAHLLOKOSA-N 1 2 389.459 3.916 50 0 GHAALO O=C(C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1)Nc1ccc(F)cc1 ZINC000065184106 222107874 /nfs/dbraw/zinc/10/78/74/222107874.db2.gz MFKXEAQTHQEMLK-UHFFFAOYSA-N 1 2 380.423 3.694 50 0 GHAALO Cc1c([C@@H](C)NC(=O)C[N@@H+]2CCc3sccc3C2)cnn1-c1ccc(F)cc1 ZINC000058795685 222056652 /nfs/dbraw/zinc/05/66/52/222056652.db2.gz QGURIICJIOUXLA-CQSZACIVSA-N 1 2 398.507 3.617 50 0 GHAALO Cc1c([C@@H](C)NC(=O)C[N@H+]2CCc3sccc3C2)cnn1-c1ccc(F)cc1 ZINC000058795685 222056656 /nfs/dbraw/zinc/05/66/56/222056656.db2.gz QGURIICJIOUXLA-CQSZACIVSA-N 1 2 398.507 3.617 50 0 GHAALO O=C(c1sc2cc(F)ccc2c1Cl)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000060391714 222059917 /nfs/dbraw/zinc/05/99/17/222059917.db2.gz LVVLWXJZGDOIDA-CYBMUJFWSA-N 1 2 382.888 3.631 50 0 GHAALO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1ccc(COc2ccc(F)cc2)o1 ZINC000062580683 222065512 /nfs/dbraw/zinc/06/55/12/222065512.db2.gz SFRYXXIZHXXJEN-UHFFFAOYSA-N 1 2 392.390 3.508 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)Nc3ccc(OC)cc3)CC2)nc[nH+]1 ZINC000065274217 222120826 /nfs/dbraw/zinc/12/08/26/222120826.db2.gz LWEUJUIUDOSKTK-UHFFFAOYSA-N 1 2 397.523 3.942 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)Nc3ccc(OC)cc3)CC2)[nH+]cn1 ZINC000065274217 222120829 /nfs/dbraw/zinc/12/08/29/222120829.db2.gz LWEUJUIUDOSKTK-UHFFFAOYSA-N 1 2 397.523 3.942 50 0 GHAALO CN(C)c1ccc(C(=O)N2CC[NH+]=C2N2CCC(Cc3ccccc3)CC2)cc1 ZINC000065306480 222122042 /nfs/dbraw/zinc/12/20/42/222122042.db2.gz RNRWCNMXWCZYCT-UHFFFAOYSA-N 1 2 390.531 3.519 50 0 GHAALO CCOc1ccc([C@@H]2CC(=O)NCc3[nH+]c4ccc(C)cn4c32)c(OCC)c1C ZINC000065373206 222127038 /nfs/dbraw/zinc/12/70/38/222127038.db2.gz CMSXOMXCTBFKHT-KRWDZBQOSA-N 1 2 393.487 3.900 50 0 GHAALO COc1ccc(-n2cc[nH+]c2[C@H]2CC(=O)Nc3c2cnn3CCC(C)C)cc1 ZINC000065384358 222127063 /nfs/dbraw/zinc/12/70/63/222127063.db2.gz YLTCGFXTKXDNKP-KRWDZBQOSA-N 1 2 379.464 3.598 50 0 GHAALO CC(C)c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(C(=O)Nc3ccnn3C)cc2)n1 ZINC000065495770 222132104 /nfs/dbraw/zinc/13/21/04/222132104.db2.gz ZAPMTMWJTVZEJI-KRWDZBQOSA-N 1 2 394.479 3.516 50 0 GHAALO CC(C)c1noc([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)Nc3ccnn3C)cc2)n1 ZINC000065495770 222132106 /nfs/dbraw/zinc/13/21/06/222132106.db2.gz ZAPMTMWJTVZEJI-KRWDZBQOSA-N 1 2 394.479 3.516 50 0 GHAALO CC(=O)Nc1ccc([C@H]2c3[nH]c[nH+]c3CCN2Cc2coc(C(C)C)n2)cc1 ZINC000067727471 222157490 /nfs/dbraw/zinc/15/74/90/222157490.db2.gz LEPPLKQWFBWADT-FQEVSTJZSA-N 1 2 379.464 3.627 50 0 GHAALO CC(C)n1cc[nH+]c1CNC(=O)c1csc2nc(-c3cccc(F)c3)cn12 ZINC000067920203 222167811 /nfs/dbraw/zinc/16/78/11/222167811.db2.gz RIWSYOURORAVGB-UHFFFAOYSA-N 1 2 383.452 3.909 50 0 GHAALO C[C@H](C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1)n1cc[nH+]c1 ZINC000067965155 222170199 /nfs/dbraw/zinc/17/01/99/222170199.db2.gz PDOOGUCTPQPTMQ-CQSZACIVSA-N 1 2 397.862 3.891 50 0 GHAALO CC(C)(C)c1nnc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)C3CC3)CC2)o1 ZINC000069813476 222174950 /nfs/dbraw/zinc/17/49/50/222174950.db2.gz ZXIAFUFCWPYCSO-SFHVURJKSA-N 1 2 388.556 3.760 50 0 GHAALO O=C(N[C@@H]1CCC[N@H+](Cc2ccccn2)C1)c1ccc(Oc2ccccc2)o1 ZINC000072410535 222254723 /nfs/dbraw/zinc/25/47/23/222254723.db2.gz DONFTWOQBCPXSU-GOSISDBHSA-N 1 2 377.444 3.861 50 0 GHAALO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccn2)C1)c1ccc(Oc2ccccc2)o1 ZINC000072410535 222254727 /nfs/dbraw/zinc/25/47/27/222254727.db2.gz DONFTWOQBCPXSU-GOSISDBHSA-N 1 2 377.444 3.861 50 0 GHAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCN(C)[C@H](C)C2)cc1 ZINC000072428816 222258742 /nfs/dbraw/zinc/25/87/42/222258742.db2.gz BQVDEEHDBHKWGH-QGZVFWFLSA-N 1 2 394.494 3.823 50 0 GHAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCN(C)[C@H](C)C2)cc1 ZINC000072428816 222258745 /nfs/dbraw/zinc/25/87/45/222258745.db2.gz BQVDEEHDBHKWGH-QGZVFWFLSA-N 1 2 394.494 3.823 50 0 GHAALO CN(Cc1[nH+]ccn1C)c1ccc(-c2nc(CCCc3ccccc3)no2)cn1 ZINC000072433391 222260543 /nfs/dbraw/zinc/26/05/43/222260543.db2.gz QVVQNRQCPASERY-UHFFFAOYSA-N 1 2 388.475 3.677 50 0 GHAALO COc1ccc2cc(C[N@@H+]3CCN(C)C(=O)[C@H]3C)c(-c3cccs3)nc2c1 ZINC000072469956 222263835 /nfs/dbraw/zinc/26/38/35/222263835.db2.gz GAUOUFCJYLJHKA-CQSZACIVSA-N 1 2 381.501 3.634 50 0 GHAALO COc1ccc2cc(C[N@H+]3CCN(C)C(=O)[C@H]3C)c(-c3cccs3)nc2c1 ZINC000072469956 222263847 /nfs/dbraw/zinc/26/38/47/222263847.db2.gz GAUOUFCJYLJHKA-CQSZACIVSA-N 1 2 381.501 3.634 50 0 GHAALO O=C(CCc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2noc(C3CCCC3)n2)C1 ZINC000095501884 222333798 /nfs/dbraw/zinc/33/37/98/222333798.db2.gz WXINOHAVOKCIBH-IBGZPJMESA-N 1 2 396.535 3.688 50 0 GHAALO O=C(CCc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2noc(C3CCCC3)n2)C1 ZINC000095501884 222333801 /nfs/dbraw/zinc/33/38/01/222333801.db2.gz WXINOHAVOKCIBH-IBGZPJMESA-N 1 2 396.535 3.688 50 0 GHAALO CCc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)s1 ZINC000095503611 222336120 /nfs/dbraw/zinc/33/61/20/222336120.db2.gz MLTBOKGRNKTCQK-KRWDZBQOSA-N 1 2 380.517 3.970 50 0 GHAALO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(C)cc2)C1 ZINC000077322275 222276955 /nfs/dbraw/zinc/27/69/55/222276955.db2.gz ZAPFZFNCDKHHLJ-IBGZPJMESA-N 1 2 377.492 3.686 50 0 GHAALO O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CCC(c2ccccc2)CC1 ZINC000095530561 222352446 /nfs/dbraw/zinc/35/24/46/222352446.db2.gz JLVIBYCNFBTDCL-UHFFFAOYSA-N 1 2 379.504 3.930 50 0 GHAALO CC(C)c1cc(C(=O)N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)no1 ZINC000095531195 222353668 /nfs/dbraw/zinc/35/36/68/222353668.db2.gz ZORQKRWEJVQUJJ-UHFFFAOYSA-N 1 2 385.493 3.519 50 0 GHAALO COc1ccc2c(C(=O)C[N@@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)c[nH]c2c1 ZINC000102756576 536962961 /nfs/dbraw/zinc/96/29/61/536962961.db2.gz MDDRJWIFXNOPNQ-QGZVFWFLSA-N 1 2 377.488 3.878 50 0 GHAALO COc1ccc2c(C(=O)C[N@H+]3CCN(c4cccc(C)c4)[C@H](C)C3)c[nH]c2c1 ZINC000102756576 536962964 /nfs/dbraw/zinc/96/29/64/536962964.db2.gz MDDRJWIFXNOPNQ-QGZVFWFLSA-N 1 2 377.488 3.878 50 0 GHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cc2c(c(Cl)c1)OCO2 ZINC000048261477 570224588 /nfs/dbraw/zinc/22/45/88/570224588.db2.gz LOQNIJJINZLRPF-UHFFFAOYSA-N 1 2 387.867 3.774 50 0 GHAALO O=C1C[C@@H](c2ccccc2)Cc2nc(N3CC[NH+](Cc4ccccc4)CC3)ncc21 ZINC000019899870 570228947 /nfs/dbraw/zinc/22/89/47/570228947.db2.gz CRJKTXKMTOLPDU-NRFANRHFSA-N 1 2 398.510 3.712 50 0 GHAALO c1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4nc5c(s4)CCCC5)C3)CC2)cc1 ZINC000020455195 570258667 /nfs/dbraw/zinc/25/86/67/570258667.db2.gz PPZRIXJCXZINOZ-FQEVSTJZSA-N 1 2 396.604 3.809 50 0 GHAALO c1ccc(N2CCN([C@H]3CCC[N@H+](Cc4nc5c(s4)CCCC5)C3)CC2)cc1 ZINC000020455195 570258669 /nfs/dbraw/zinc/25/86/69/570258669.db2.gz PPZRIXJCXZINOZ-FQEVSTJZSA-N 1 2 396.604 3.809 50 0 GHAALO COc1cc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc(F)cc2)C3)cc(OC)c1 ZINC000021038771 570288072 /nfs/dbraw/zinc/28/80/72/570288072.db2.gz LEFZTQSCMQYVAW-UHFFFAOYSA-N 1 2 394.450 3.935 50 0 GHAALO COc1cc(Nc2ncc3c(n2)CC[N@H+](Cc2ccc(F)cc2)C3)cc(OC)c1 ZINC000021038771 570288075 /nfs/dbraw/zinc/28/80/75/570288075.db2.gz LEFZTQSCMQYVAW-UHFFFAOYSA-N 1 2 394.450 3.935 50 0 GHAALO Cc1ccc(SCCN(C)C(=O)c2cnc(C[NH+]3CCCC3)s2)cc1 ZINC000215420311 570288748 /nfs/dbraw/zinc/28/87/48/570288748.db2.gz ZVEOJZCVZHGDQG-UHFFFAOYSA-N 1 2 375.563 3.912 50 0 GHAALO Cc1ccc(-n2c(SCC[NH+]3CCOCC3)nnc2-c2ccccc2)cc1C ZINC000021225110 570289353 /nfs/dbraw/zinc/28/93/53/570289353.db2.gz JKFQCEREYMEUQI-UHFFFAOYSA-N 1 2 394.544 3.975 50 0 GHAALO COc1ccc(Cl)cc1N1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2)CC1 ZINC000034668236 570293006 /nfs/dbraw/zinc/29/30/06/570293006.db2.gz ODIZBXJZOIJAGL-MRXNPFEDSA-N 1 2 387.911 3.806 50 0 GHAALO CCO[C@@H](C[NH+]1CCN(C[C@@H](C)C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000022033882 570302693 /nfs/dbraw/zinc/30/26/93/570302693.db2.gz BSHWLCACYCVCJE-OFNKIYASSA-N 1 2 380.532 3.901 50 0 world GHAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000022876987 570332410 /nfs/dbraw/zinc/33/24/10/570332410.db2.gz QJRRHQADTWQUAQ-CYBMUJFWSA-N 1 2 388.924 3.517 50 0 GHAALO CCCCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2cccnc2)C1 ZINC000034910048 570340367 /nfs/dbraw/zinc/34/03/67/570340367.db2.gz NFACNHZHNTZLNH-LJQANCHMSA-N 1 2 391.519 3.764 50 0 GHAALO CC1CCC2(CC1)NC(=O)N(C[N@H+](C)Cc1ccccc1N1CCCCC1)C2=O ZINC000023653675 570368939 /nfs/dbraw/zinc/36/89/39/570368939.db2.gz XDUKXQYJSXLGNF-UHFFFAOYSA-N 1 2 398.551 3.567 50 0 GHAALO CC1CCC2(CC1)NC(=O)N(C[N@@H+](C)Cc1ccccc1N1CCCCC1)C2=O ZINC000023653675 570368940 /nfs/dbraw/zinc/36/89/40/570368940.db2.gz XDUKXQYJSXLGNF-UHFFFAOYSA-N 1 2 398.551 3.567 50 0 GHAALO O=C1C(=O)N(C[N@@H+]2CCC[C@@H]2c2cccs2)c2ccc(Br)cc21 ZINC000023805412 570372902 /nfs/dbraw/zinc/37/29/02/570372902.db2.gz QBAFGGAWUOUUJD-CQSZACIVSA-N 1 2 391.290 3.835 50 0 GHAALO O=C1C(=O)N(C[N@H+]2CCC[C@@H]2c2cccs2)c2ccc(Br)cc21 ZINC000023805412 570372903 /nfs/dbraw/zinc/37/29/03/570372903.db2.gz QBAFGGAWUOUUJD-CQSZACIVSA-N 1 2 391.290 3.835 50 0 GHAALO O=C(c1ccco1)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000023935967 570375429 /nfs/dbraw/zinc/37/54/29/570375429.db2.gz VLVWXXBYPILJCV-UHFFFAOYSA-N 1 2 386.455 3.552 50 0 GHAALO O=C(c1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024135986 570379617 /nfs/dbraw/zinc/37/96/17/570379617.db2.gz APCXIAZBVOJUPQ-UHFFFAOYSA-N 1 2 390.405 3.598 50 0 GHAALO O=C(CCc1ncc(-c2ccccc2)o1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000025397505 570412840 /nfs/dbraw/zinc/41/28/40/570412840.db2.gz PJQPZZBQJCTFIN-UHFFFAOYSA-N 1 2 381.501 3.680 50 0 GHAALO Fc1cc(CN2CC[NH+](Cc3ccc(Cl)s3)CC2)c2c(c1)COCO2 ZINC000027536756 570435557 /nfs/dbraw/zinc/43/55/57/570435557.db2.gz OFPJTBIIAULDHC-UHFFFAOYSA-N 1 2 382.888 3.725 50 0 GHAALO CCn1cc[nH+]c1CN(C)C(=O)c1c(C)c(-c2cn[nH]c2)nc2ccc(C)cc21 ZINC000032577646 570511205 /nfs/dbraw/zinc/51/12/05/570511205.db2.gz LGENLBPDHGIFCK-UHFFFAOYSA-N 1 2 388.475 3.730 50 0 GHAALO CC(C)Oc1ccc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)cc1 ZINC000039442388 570591465 /nfs/dbraw/zinc/59/14/65/570591465.db2.gz WPIRZRZDFZQBRO-JOCHJYFZSA-N 1 2 386.511 3.682 50 0 GHAALO CC(C)Oc1ccc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)cc1 ZINC000039442388 570591466 /nfs/dbraw/zinc/59/14/66/570591466.db2.gz WPIRZRZDFZQBRO-JOCHJYFZSA-N 1 2 386.511 3.682 50 0 GHAALO CC(C)c1ccc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)C3CC3)CC2)cc1 ZINC000036311755 570611665 /nfs/dbraw/zinc/61/16/65/570611665.db2.gz KDHHNBMBFPMOEI-JOCHJYFZSA-N 1 2 397.563 3.862 50 0 GHAALO Cc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000000882843 570703845 /nfs/dbraw/zinc/70/38/45/570703845.db2.gz VPMXMBDXVCADBW-UHFFFAOYSA-N 1 2 375.457 3.855 50 0 GHAALO CCn1ncc(-c2cc(C(F)F)nc(N(C)Cc3cn4ccccc4[nH+]3)n2)c1C ZINC000036618545 570759870 /nfs/dbraw/zinc/75/98/70/570759870.db2.gz WJTXNQUHXGCPJM-UHFFFAOYSA-N 1 2 397.433 3.890 50 0 GHAALO COc1ccc(NC(=O)c2nnc(C[NH2+][C@H](C)c3cccc(F)c3)s2)cc1 ZINC000096795035 570785224 /nfs/dbraw/zinc/78/52/24/570785224.db2.gz MWBSTEAALUXXDT-GFCCVEGCSA-N 1 2 386.452 3.789 50 0 GHAALO O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000025585515 570792363 /nfs/dbraw/zinc/79/23/63/570792363.db2.gz HKUNQBMAKFGCLP-UHFFFAOYSA-N 1 2 393.314 3.685 50 0 GHAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000036713600 570799695 /nfs/dbraw/zinc/79/96/95/570799695.db2.gz LEDCYKNYWBNCCU-CKEIUWERSA-N 1 2 397.357 3.830 50 0 GHAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000036713600 570799698 /nfs/dbraw/zinc/79/96/98/570799698.db2.gz LEDCYKNYWBNCCU-CKEIUWERSA-N 1 2 397.357 3.830 50 0 GHAALO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000007267727 570822455 /nfs/dbraw/zinc/82/24/55/570822455.db2.gz AVRRNJAPKPGABM-SFHVURJKSA-N 1 2 389.499 3.757 50 0 GHAALO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000007267727 570822460 /nfs/dbraw/zinc/82/24/60/570822460.db2.gz AVRRNJAPKPGABM-SFHVURJKSA-N 1 2 389.499 3.757 50 0 GHAALO CCc1csc(NC2CC[NH+]([C@H](C)C(=O)Nc3nc(C)c(C)s3)CC2)n1 ZINC000170598199 570856500 /nfs/dbraw/zinc/85/65/00/570856500.db2.gz QKCRKBSJQVGWLH-GFCCVEGCSA-N 1 2 393.582 3.682 50 0 GHAALO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3cc4cc(C)ccc4o3)c2)CC1 ZINC000170602468 570861246 /nfs/dbraw/zinc/86/12/46/570861246.db2.gz OLMPYYYIYXSTNX-UHFFFAOYSA-N 1 2 391.471 3.658 50 0 GHAALO Cn1c2c([nH+]c1[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1F)CCCC2 ZINC000170616387 570873808 /nfs/dbraw/zinc/87/38/08/570873808.db2.gz VJMTZIRZYVHSMD-OAHLLOKOSA-N 1 2 397.903 3.617 50 0 GHAALO O=[S@](CCSc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000047203396 570947620 /nfs/dbraw/zinc/94/76/20/570947620.db2.gz YMVDUGBQMIERAO-SANMLTNESA-N 1 2 380.498 3.715 50 0 GHAALO O=[S@@](CCSc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000047203398 570947716 /nfs/dbraw/zinc/94/77/16/570947716.db2.gz YMVDUGBQMIERAO-AREMUKBSSA-N 1 2 380.498 3.715 50 0 GHAALO COc1ccc(Cl)cc1NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000033280290 570954238 /nfs/dbraw/zinc/95/42/38/570954238.db2.gz FHIKGOZRTIRVLD-UHFFFAOYSA-N 1 2 392.912 3.619 50 0 GHAALO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000252444266 570957637 /nfs/dbraw/zinc/95/76/37/570957637.db2.gz GJIDXFIGYOKGMM-LBTNJELSSA-N 1 2 384.526 3.666 50 0 GHAALO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000252444266 570957638 /nfs/dbraw/zinc/95/76/38/570957638.db2.gz GJIDXFIGYOKGMM-LBTNJELSSA-N 1 2 384.526 3.666 50 0 GHAALO CC(C)c1noc(C[NH+]2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)n1 ZINC000091351036 571003952 /nfs/dbraw/zinc/00/39/52/571003952.db2.gz WBLPBHQQVFWKNV-UHFFFAOYSA-N 1 2 396.535 3.640 50 0 GHAALO COc1ccc(C[NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)cc1OC ZINC000019561065 571005303 /nfs/dbraw/zinc/00/53/03/571005303.db2.gz VEIWTOXWLQAKQP-UHFFFAOYSA-N 1 2 390.483 3.815 50 0 GHAALO CC1(C)C[C@@](CCNC(=O)c2ccc3[nH+]ccn3c2)(c2ccccc2)CCO1 ZINC000091493863 571010961 /nfs/dbraw/zinc/01/09/61/571010961.db2.gz WYDZHDDGXIAGIK-QHCPKHFHSA-N 1 2 377.488 3.981 50 0 GHAALO COc1ccccc1[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000289664585 839599121 /nfs/dbraw/zinc/59/91/21/839599121.db2.gz DCKKPXCAXXBECS-LAUBAEHRSA-N 1 2 377.492 3.703 50 0 GHAALO COc1ccccc1[C@H]1C[C@@H](C)CC[N@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000289664585 839599132 /nfs/dbraw/zinc/59/91/32/839599132.db2.gz DCKKPXCAXXBECS-LAUBAEHRSA-N 1 2 377.492 3.703 50 0 GHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000056945221 861846524 /nfs/dbraw/zinc/84/65/24/861846524.db2.gz GQOMAKAMRKKAPJ-NRFANRHFSA-N 1 2 381.520 3.839 50 0 GHAALO C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057024294 861869927 /nfs/dbraw/zinc/86/99/27/861869927.db2.gz IRIUKIZAUWQBMG-KRWDZBQOSA-N 1 2 375.472 3.695 50 0 GHAALO Cc1ccc(-c2nc(C[N@@H+](C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)co2)c(C)c1 ZINC000029976202 862177170 /nfs/dbraw/zinc/17/71/70/862177170.db2.gz IXOCFEROHFVVLE-MRXNPFEDSA-N 1 2 399.516 3.799 50 0 GHAALO Cc1ccc(-c2nc(C[N@H+](C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)co2)c(C)c1 ZINC000029976202 862177188 /nfs/dbraw/zinc/17/71/88/862177188.db2.gz IXOCFEROHFVVLE-MRXNPFEDSA-N 1 2 399.516 3.799 50 0 GHAALO CCn1c2ccccc2c2cc(NC(=O)C[NH+]3CCC(C(=O)OC)CC3)ccc21 ZINC000003305927 862327104 /nfs/dbraw/zinc/32/71/04/862327104.db2.gz HJOIPPHYOFNTIT-UHFFFAOYSA-N 1 2 393.487 3.638 50 0 GHAALO CCOc1ccc(OCC)c(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000040103917 856661809 /nfs/dbraw/zinc/66/18/09/856661809.db2.gz VTYMAVSLCGPTOE-UHFFFAOYSA-N 1 2 389.521 3.895 50 0 GHAALO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000376429819 859574138 /nfs/dbraw/zinc/57/41/38/859574138.db2.gz VBEGQGYYGYZDFU-CYBMUJFWSA-N 1 2 383.883 3.697 50 0 GHAALO CCc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1ccco1 ZINC000020107844 859913310 /nfs/dbraw/zinc/91/33/10/859913310.db2.gz WROOZTQHZIRFEA-UHFFFAOYSA-N 1 2 387.549 3.763 50 0 GHAALO O=C1N(C[NH+]2CCC(Cc3ccccc3)CC2)c2ccccc2C12OCCCO2 ZINC000002253466 860472744 /nfs/dbraw/zinc/47/27/44/860472744.db2.gz USGBLGWZHXTKOO-UHFFFAOYSA-N 1 2 392.499 3.535 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1[C@@H]1CCN(C(=O)NCc2ccc(C)cc2)C1 ZINC000575550467 866190159 /nfs/dbraw/zinc/19/01/59/866190159.db2.gz WKFKPWBWSUSLKT-HXUWFJFHSA-N 1 2 375.476 3.719 50 0 GHAALO COc1ccc(C(=O)N2CC[C@H](n3c(C)c[nH+]c3-c3ccccc3)C2)c(OC)c1 ZINC000581807691 870037838 /nfs/dbraw/zinc/03/78/38/870037838.db2.gz MHDIDFDLJJAYMA-SFHVURJKSA-N 1 2 391.471 3.963 50 0 GHAALO COc1cccc(CC(=O)N2CC[C@H](c3[nH+]cc(C)n3Cc3ccccc3)C2)c1 ZINC000575317424 873808353 /nfs/dbraw/zinc/80/83/53/873808353.db2.gz JQRVBADSAMUKBL-NRFANRHFSA-N 1 2 389.499 3.807 50 0 GHAALO O=C(C[N@@H+]1CCCc2occc2C1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000585083924 897097106 /nfs/dbraw/zinc/09/71/06/897097106.db2.gz FYEMANBNQALFKL-UHFFFAOYSA-N 1 2 378.354 3.562 50 0 GHAALO O=C(C[N@H+]1CCCc2occc2C1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000585083924 897097115 /nfs/dbraw/zinc/09/71/15/897097115.db2.gz FYEMANBNQALFKL-UHFFFAOYSA-N 1 2 378.354 3.562 50 0 GHAALO CCC[C@@H](NC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000096845245 915090622 /nfs/dbraw/zinc/09/06/22/915090622.db2.gz MDIWAWXOYHFLLI-OXJALOGWSA-N 1 2 391.559 3.975 50 0 GHAALO COc1cc(C[NH+]2CCN(c3ccccc3C)CC2)cc(Br)c1O ZINC000055543536 924046105 /nfs/dbraw/zinc/04/61/05/924046105.db2.gz GSUPHOWAGUQNCX-UHFFFAOYSA-N 1 2 391.309 3.794 50 0 GHAALO O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000655408094 930487047 /nfs/dbraw/zinc/48/70/47/930487047.db2.gz OOTCZCNLWRCMLJ-AWEZNQCLSA-N 1 2 393.409 3.582 50 0 GHAALO Cc1cc(S(=O)(=O)N2C[C@H](n3cc[nH+]c3)Cc3ccccc32)sc1Cl ZINC000190306081 1020660034 /nfs/dbraw/zinc/66/00/34/1020660034.db2.gz IEWHVVMFJKFQCG-CQSZACIVSA-N 1 2 393.921 3.899 50 0 GHAALO Cc1ccc(-c2cccc(C(=O)NCCCn3c(C)cccc3=O)c2)c(C)[nH+]1 ZINC000426474218 231225002 /nfs/dbraw/zinc/22/50/02/231225002.db2.gz IYSGXJDJRIQFDI-UHFFFAOYSA-N 1 2 375.472 3.656 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC(F)CC4)csc3C2)nc1 ZINC000426612448 529643530 /nfs/dbraw/zinc/64/35/30/529643530.db2.gz BHYVDHZLPBVXFV-UHFFFAOYSA-N 1 2 387.524 3.838 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC(F)CC4)csc3C2)nc1 ZINC000426612448 529643532 /nfs/dbraw/zinc/64/35/32/529643532.db2.gz BHYVDHZLPBVXFV-UHFFFAOYSA-N 1 2 387.524 3.838 50 0 GHAALO c1cn(-c2nc(N(c3ccccc3)c3ccccc3)nc(-n3cc[nH+]c3)n2)cn1 ZINC000001434639 212245267 /nfs/dbraw/zinc/24/52/67/212245267.db2.gz TVBVXZRVHVVBFL-UHFFFAOYSA-N 1 2 380.415 3.713 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C\c1ccc(Br)o1)c1ccccc1 ZINC000096401374 212156428 /nfs/dbraw/zinc/15/64/28/212156428.db2.gz UBRXKOOLOIKLEF-PXAMLJHWSA-N 1 2 386.249 3.695 50 0 GHAALO CCCOc1ccc(C[NH2+][C@@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 ZINC000263618633 212143061 /nfs/dbraw/zinc/14/30/61/212143061.db2.gz USRRJXMFKSEKKA-NRFANRHFSA-N 1 2 394.450 3.510 50 0 GHAALO COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000253406934 212135917 /nfs/dbraw/zinc/13/59/17/212135917.db2.gz VHBIWFYFOKAYAW-HNNXBMFYSA-N 1 2 395.912 3.853 50 0 GHAALO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000328595862 212083088 /nfs/dbraw/zinc/08/30/88/212083088.db2.gz HGFWRIJUVPSKQB-IBGZPJMESA-N 1 2 379.439 3.503 50 0 GHAALO C[C@@H](Sc1[nH+]cnc2c1cnn2-c1ccccc1)C(=O)N1CCCCCC1 ZINC000008315912 221036010 /nfs/dbraw/zinc/03/60/10/221036010.db2.gz JBEYHTLSAMFVFH-OAHLLOKOSA-N 1 2 381.505 3.699 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000009115951 221070320 /nfs/dbraw/zinc/07/03/20/221070320.db2.gz CPONVLITZGNCSG-FQEVSTJZSA-N 1 2 395.459 3.780 50 0 GHAALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000012818992 221235894 /nfs/dbraw/zinc/23/58/94/221235894.db2.gz LEDCYKNYWBNCCU-JKIFEVAISA-N 1 2 397.357 3.830 50 0 GHAALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000012818992 221235898 /nfs/dbraw/zinc/23/58/98/221235898.db2.gz LEDCYKNYWBNCCU-JKIFEVAISA-N 1 2 397.357 3.830 50 0 GHAALO Cc1cc(N2CCN([C@H](C)C(=O)Nc3c(C)cccc3C)CC2)nc(C(C)C)[nH+]1 ZINC000012866779 221240146 /nfs/dbraw/zinc/24/01/46/221240146.db2.gz DXUBSLZQXAWBAW-LJQANCHMSA-N 1 2 395.551 3.674 50 0 GHAALO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000012933171 221248211 /nfs/dbraw/zinc/24/82/11/221248211.db2.gz JKJDKPINHYXBNS-NRFANRHFSA-N 1 2 392.499 3.767 50 0 GHAALO Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000012933171 221248212 /nfs/dbraw/zinc/24/82/12/221248212.db2.gz JKJDKPINHYXBNS-NRFANRHFSA-N 1 2 392.499 3.767 50 0 GHAALO CCC[N@H+](CC(=O)Nc1ccccc1C)CC(=O)N1CCCc2cccc(F)c21 ZINC000012977541 221250985 /nfs/dbraw/zinc/25/09/85/221250985.db2.gz JUNBVXWLSHHJIT-UHFFFAOYSA-N 1 2 397.494 3.764 50 0 GHAALO CCC[N@@H+](CC(=O)Nc1ccccc1C)CC(=O)N1CCCc2cccc(F)c21 ZINC000012977541 221250989 /nfs/dbraw/zinc/25/09/89/221250989.db2.gz JUNBVXWLSHHJIT-UHFFFAOYSA-N 1 2 397.494 3.764 50 0 GHAALO O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000012972639 221251074 /nfs/dbraw/zinc/25/10/74/221251074.db2.gz VINPPGFNSWQNPO-UHFFFAOYSA-N 1 2 384.530 3.726 50 0 GHAALO CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000013323400 221264938 /nfs/dbraw/zinc/26/49/38/221264938.db2.gz GNGPXKGYLHKYIT-PKOBYXMFSA-N 1 2 375.532 3.669 50 0 GHAALO CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000013323398 221265436 /nfs/dbraw/zinc/26/54/36/221265436.db2.gz GNGPXKGYLHKYIT-IEBWSBKVSA-N 1 2 375.532 3.669 50 0 GHAALO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc2cc(F)ccc2s1 ZINC000014070505 221297131 /nfs/dbraw/zinc/29/71/31/221297131.db2.gz GXDGJVIWLNRZNK-UHFFFAOYSA-N 1 2 376.497 3.805 50 0 GHAALO O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014205175 221304627 /nfs/dbraw/zinc/30/46/27/221304627.db2.gz DXXCXVRHFQZFQZ-UHFFFAOYSA-N 1 2 380.879 3.688 50 0 GHAALO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3cnc(SC)nc3)C2)cc1C ZINC000014965972 221322027 /nfs/dbraw/zinc/32/20/27/221322027.db2.gz MTTBGFPFKMXDAD-QGZVFWFLSA-N 1 2 385.533 3.919 50 0 GHAALO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3cnc(SC)nc3)C2)cc1C ZINC000014965972 221322030 /nfs/dbraw/zinc/32/20/30/221322030.db2.gz MTTBGFPFKMXDAD-QGZVFWFLSA-N 1 2 385.533 3.919 50 0 GHAALO Cc1cccc2sc(N(Cc3ccccc3)C(=O)C[NH+]3CCC(O)CC3)nc21 ZINC000014670840 221314452 /nfs/dbraw/zinc/31/44/52/221314452.db2.gz OPTNFBBKIVWBQQ-UHFFFAOYSA-N 1 2 395.528 3.595 50 0 GHAALO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+](C)C)o1 ZINC000015860388 221348894 /nfs/dbraw/zinc/34/88/94/221348894.db2.gz FRPWXEUCOMCYRR-OAHLLOKOSA-N 1 2 388.851 3.689 50 0 GHAALO Cc1ccc(C[NH+]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 ZINC000017081659 221378429 /nfs/dbraw/zinc/37/84/29/221378429.db2.gz RIOUYYWCHVFRGZ-UHFFFAOYSA-N 1 2 399.343 3.808 50 0 GHAALO O=C1C[C@@H]([N@H+]2CC=C(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000018190447 221388965 /nfs/dbraw/zinc/38/89/65/221388965.db2.gz OVKXUNWCQHQOQZ-LJQANCHMSA-N 1 2 384.838 3.900 50 0 GHAALO O=C1C[C@@H]([N@@H+]2CC=C(c3ccccc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000018190447 221388968 /nfs/dbraw/zinc/38/89/68/221388968.db2.gz OVKXUNWCQHQOQZ-LJQANCHMSA-N 1 2 384.838 3.900 50 0 GHAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Br)cc1 ZINC000019922455 221463405 /nfs/dbraw/zinc/46/34/05/221463405.db2.gz SDRFDCCLQHBOMS-UHFFFAOYSA-N 1 2 375.266 3.534 50 0 GHAALO CC(C)NC(=O)c1cc(N2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)ccn1 ZINC000072169451 136167450 /nfs/dbraw/zinc/16/74/50/136167450.db2.gz RIIYZPOSLBABGG-MRXNPFEDSA-N 1 2 377.492 3.555 50 0 GHAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc1F ZINC000023738204 221602536 /nfs/dbraw/zinc/60/25/36/221602536.db2.gz PCWPCMJDMZZNJF-UHFFFAOYSA-N 1 2 393.462 3.583 50 0 GHAALO O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023866474 221603834 /nfs/dbraw/zinc/60/38/34/221603834.db2.gz POFNPSVCEBRMHN-UHFFFAOYSA-N 1 2 386.499 3.708 50 0 GHAALO O=C(/C=C/c1ccc(Br)o1)Nc1ccccc1C[NH+]1CCOCC1 ZINC000055816046 222023743 /nfs/dbraw/zinc/02/37/43/222023743.db2.gz HLHUWADOPKMVNK-SOFGYWHQSA-N 1 2 391.265 3.526 50 0 GHAALO Fc1ccccc1-c1nnc2ccc(NCc3ccc(N4CCCC4)[nH+]c3)nn21 ZINC000057137693 222030638 /nfs/dbraw/zinc/03/06/38/222030638.db2.gz IDKUBKJFIZNXLM-UHFFFAOYSA-N 1 2 389.438 3.538 50 0 GHAALO Cn1cc[nH+]c1CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F ZINC000058439427 222054153 /nfs/dbraw/zinc/05/41/53/222054153.db2.gz WOXZQAQUEMLGAW-UHFFFAOYSA-N 1 2 384.411 3.690 50 0 GHAALO Clc1ccc(-c2nc(C[N@H+](C[C@H]3CCCO3)C[C@@H]3CCCO3)no2)cc1 ZINC000065491020 222131494 /nfs/dbraw/zinc/13/14/94/222131494.db2.gz HBZWHDOSIQJLPB-CALCHBBNSA-N 1 2 377.872 3.550 50 0 GHAALO Clc1ccc(-c2nc(C[N@@H+](C[C@H]3CCCO3)C[C@@H]3CCCO3)no2)cc1 ZINC000065491020 222131499 /nfs/dbraw/zinc/13/14/99/222131499.db2.gz HBZWHDOSIQJLPB-CALCHBBNSA-N 1 2 377.872 3.550 50 0 GHAALO COc1cc(C)c(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1OC ZINC000069532364 222174996 /nfs/dbraw/zinc/17/49/96/222174996.db2.gz YSZVOSLBCDQBJB-UHFFFAOYSA-N 1 2 380.448 3.579 50 0 GHAALO Cc1cccc(Nc2nc(N)nc(C[N@@H+]3CCC[C@H]3c3ccc(F)cc3)n2)c1 ZINC000072140247 222210625 /nfs/dbraw/zinc/21/06/25/222210625.db2.gz IIYKMVZDSMIXPD-SFHVURJKSA-N 1 2 378.455 3.982 50 0 GHAALO Cc1cccc(Nc2nc(N)nc(C[N@H+]3CCC[C@H]3c3ccc(F)cc3)n2)c1 ZINC000072140247 222210629 /nfs/dbraw/zinc/21/06/29/222210629.db2.gz IIYKMVZDSMIXPD-SFHVURJKSA-N 1 2 378.455 3.982 50 0 GHAALO CC[C@](C)([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1nccs1 ZINC000072305184 222222025 /nfs/dbraw/zinc/22/20/25/222222025.db2.gz MYKCHXRBKSYHBJ-HNNXBMFYSA-N 1 2 382.415 3.553 50 0 GHAALO C[C@@H](Sc1ccccn1)C(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000095504624 222336531 /nfs/dbraw/zinc/33/65/31/222336531.db2.gz CSYNCQZHYAEAST-MRXNPFEDSA-N 1 2 384.549 3.965 50 0 GHAALO Cc1cc2c(cc1-c1[nH+]ccn1[C@H](C)c1ccc(S(C)(=O)=O)cc1)OCO2 ZINC000077357059 222278671 /nfs/dbraw/zinc/27/86/71/222278671.db2.gz BKNGEBDZZVUZLN-CQSZACIVSA-N 1 2 384.457 3.600 50 0 GHAALO O=C(Nc1ccc2c(c1)OCCO2)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000079075861 222303944 /nfs/dbraw/zinc/30/39/44/222303944.db2.gz PMTKDRWOXIKQPA-GHTZIAJQSA-N 1 2 390.443 3.705 50 0 GHAALO CC(C)n1ccc2ccc(C(=O)N3CC[NH+](CCc4ccccn4)CC3)cc21 ZINC000079473541 222305141 /nfs/dbraw/zinc/30/51/41/222305141.db2.gz UEAHBCZQKMIVTQ-UHFFFAOYSA-N 1 2 376.504 3.618 50 0 GHAALO Cc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Br)c1 ZINC000084131104 222313755 /nfs/dbraw/zinc/31/37/55/222313755.db2.gz VRVXGEFYRATOOA-GOSISDBHSA-N 1 2 389.293 3.597 50 0 GHAALO Cc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Br)c1 ZINC000084131104 222313759 /nfs/dbraw/zinc/31/37/59/222313759.db2.gz VRVXGEFYRATOOA-GOSISDBHSA-N 1 2 389.293 3.597 50 0 GHAALO O=C(c1cccc(Cn2cccn2)c1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095524466 222348172 /nfs/dbraw/zinc/34/81/72/222348172.db2.gz MBMGFFIPULEMHV-OAQYLSRUSA-N 1 2 389.503 3.558 50 0 GHAALO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)ccc1F ZINC000095522534 222348602 /nfs/dbraw/zinc/34/86/02/222348602.db2.gz VDIQHUYWLRIIAD-LJQANCHMSA-N 1 2 378.451 3.794 50 0 GHAALO O=C(CC[C@H]1CCC[N@H+](Cc2ncon2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000095527117 222350405 /nfs/dbraw/zinc/35/04/05/222350405.db2.gz CNVROIWHDNBGMO-CYBMUJFWSA-N 1 2 382.386 3.719 50 0 GHAALO O=C(CC[C@H]1CCC[N@@H+](Cc2ncon2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000095527117 222350408 /nfs/dbraw/zinc/35/04/08/222350408.db2.gz CNVROIWHDNBGMO-CYBMUJFWSA-N 1 2 382.386 3.719 50 0 GHAALO CC[C@H](NC(=O)Nc1ccc(C(=O)NC(C)C)c(Cl)c1)c1[nH]cc(C)[nH+]1 ZINC000096164633 222394755 /nfs/dbraw/zinc/39/47/55/222394755.db2.gz MDNSDNXTRYKFIY-HNNXBMFYSA-N 1 2 377.876 3.783 50 0 GHAALO COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2C(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000426594846 533763147 /nfs/dbraw/zinc/76/31/47/533763147.db2.gz MFHFPDNITSZFAD-HXUWFJFHSA-N 1 2 380.492 3.816 50 0 GHAALO CCCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)N1CCC(c2ncon2)CC1 ZINC000426535648 528758490 /nfs/dbraw/zinc/75/84/90/528758490.db2.gz GWQSCUDKAXVTQT-QGZVFWFLSA-N 1 2 381.480 3.729 50 0 GHAALO CCc1ccc(-c2noc(C[NH+]3CCN(c4cccc(OC)c4)CC3)n2)cc1 ZINC000057799104 536160268 /nfs/dbraw/zinc/16/02/68/536160268.db2.gz XIJUDGUOVXRXIR-UHFFFAOYSA-N 1 2 378.476 3.630 50 0 GHAALO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000019842647 570225137 /nfs/dbraw/zinc/22/51/37/570225137.db2.gz AZOJQIMVLNXVJI-UHFFFAOYSA-N 1 2 394.540 3.909 50 0 GHAALO COc1ccccc1C[NH+]1CCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000019888718 570227416 /nfs/dbraw/zinc/22/74/16/570227416.db2.gz UCJOWIKNRBWRAB-UHFFFAOYSA-N 1 2 390.483 3.572 50 0 GHAALO Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@]31C(=O)Nc2ccc(Br)cc21 ZINC000019932989 570231289 /nfs/dbraw/zinc/23/12/89/570231289.db2.gz KTHRSTWJMJOKRI-LJQANCHMSA-N 1 2 382.261 3.580 50 0 biogenic GHAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000048333722 570238035 /nfs/dbraw/zinc/23/80/35/570238035.db2.gz OXZYKLVFFNHROZ-MRXNPFEDSA-N 1 2 377.897 3.725 50 0 GHAALO CC(C)c1nc2sc3c(ncnc3NCC[NH+]3CCOCC3)c2c2c1CCC2 ZINC000020229090 570248971 /nfs/dbraw/zinc/24/89/71/570248971.db2.gz UGYYTGPJJGTECA-UHFFFAOYSA-N 1 2 397.548 3.596 50 0 GHAALO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000048433747 570250800 /nfs/dbraw/zinc/25/08/00/570250800.db2.gz ULMBTUSWQSMTKR-UHFFFAOYSA-N 1 2 382.533 3.641 50 0 GHAALO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000048433747 570250806 /nfs/dbraw/zinc/25/08/06/570250806.db2.gz ULMBTUSWQSMTKR-UHFFFAOYSA-N 1 2 382.533 3.641 50 0 GHAALO COc1ccccc1CN1C(=O)O[C@@H]2C[N@@H+](Cc3cc4ccccc4o3)C[C@@H]21 ZINC000020419391 570255331 /nfs/dbraw/zinc/25/53/31/570255331.db2.gz PGSALLAQMIFAHS-GHTZIAJQSA-N 1 2 378.428 3.647 50 0 GHAALO COc1ccccc1CN1C(=O)O[C@@H]2C[N@H+](Cc3cc4ccccc4o3)C[C@@H]21 ZINC000020419391 570255335 /nfs/dbraw/zinc/25/53/35/570255335.db2.gz PGSALLAQMIFAHS-GHTZIAJQSA-N 1 2 378.428 3.647 50 0 GHAALO CCOc1ccc(CN2CC[N@H+](Cc3ccccc3Cl)C[C@H]2CCO)cc1 ZINC000104391063 570257729 /nfs/dbraw/zinc/25/77/29/570257729.db2.gz ZUIKILZQJZUZGN-HXUWFJFHSA-N 1 2 388.939 3.808 50 0 GHAALO CCOc1ccc(CN2CC[N@@H+](Cc3ccccc3Cl)C[C@H]2CCO)cc1 ZINC000104391063 570257731 /nfs/dbraw/zinc/25/77/31/570257731.db2.gz ZUIKILZQJZUZGN-HXUWFJFHSA-N 1 2 388.939 3.808 50 0 GHAALO COc1cccc(NC(=O)C[NH+]2CCC(c3nc(-c4cccs4)no3)CC2)c1 ZINC000049403517 570264602 /nfs/dbraw/zinc/26/46/02/570264602.db2.gz SKLXTNNKNBLTNB-UHFFFAOYSA-N 1 2 398.488 3.625 50 0 GHAALO CN(C(=O)C[N@@H+]1CCc2sccc2C1)[C@@H](c1ccccc1)c1ccccn1 ZINC000049978816 570272866 /nfs/dbraw/zinc/27/28/66/570272866.db2.gz WFAZGWZPLVCWPR-QFIPXVFZSA-N 1 2 377.513 3.749 50 0 GHAALO CN(C(=O)C[N@H+]1CCc2sccc2C1)[C@@H](c1ccccc1)c1ccccn1 ZINC000049978816 570272868 /nfs/dbraw/zinc/27/28/68/570272868.db2.gz WFAZGWZPLVCWPR-QFIPXVFZSA-N 1 2 377.513 3.749 50 0 GHAALO COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cccc(-c3[nH]cc[nH+]3)c1)CC2 ZINC000215623649 570290496 /nfs/dbraw/zinc/29/04/96/570290496.db2.gz UKQLGLJDCOQNNN-CQSZACIVSA-N 1 2 377.444 3.853 50 0 GHAALO COc1ccc(C[N@H+](C)[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)c(OC)c1 ZINC000012913637 570291658 /nfs/dbraw/zinc/29/16/58/570291658.db2.gz JIFVCUGVGYZGDC-OAQYLSRUSA-N 1 2 395.459 3.812 50 0 GHAALO COc1ccc(C[N@@H+](C)[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)c(OC)c1 ZINC000012913637 570291663 /nfs/dbraw/zinc/29/16/63/570291663.db2.gz JIFVCUGVGYZGDC-OAQYLSRUSA-N 1 2 395.459 3.812 50 0 GHAALO Cc1ccc(C[N@@H+]2CCO[C@@H](CN(C(=O)c3ccco3)C3CCCC3)C2)cc1 ZINC000034691974 570296619 /nfs/dbraw/zinc/29/66/19/570296619.db2.gz FBKWTNJCQCNUPT-OAQYLSRUSA-N 1 2 382.504 3.874 50 0 GHAALO Cc1ccc(C[N@H+]2CCO[C@@H](CN(C(=O)c3ccco3)C3CCCC3)C2)cc1 ZINC000034691974 570296621 /nfs/dbraw/zinc/29/66/21/570296621.db2.gz FBKWTNJCQCNUPT-OAQYLSRUSA-N 1 2 382.504 3.874 50 0 GHAALO COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022912423 570333569 /nfs/dbraw/zinc/33/35/69/570333569.db2.gz UKNBWPGWMDZUIG-CQSZACIVSA-N 1 2 393.940 3.555 50 0 GHAALO O=C(CSc1nc2ccccc2s1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575612261 570336937 /nfs/dbraw/zinc/33/69/37/570336937.db2.gz KLXJVGJZHYYEMV-HNNXBMFYSA-N 1 2 385.514 3.853 50 0 GHAALO Cc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)c(C)c1 ZINC000023379502 570358683 /nfs/dbraw/zinc/35/86/83/570358683.db2.gz JMZLPMNBCHPPGX-UHFFFAOYSA-N 1 2 389.499 3.581 50 0 GHAALO Cc1cccc(C2=NC3(CC[NH+](Cc4c(F)cccc4Cl)CC3)NC2=O)c1 ZINC000035430955 570359205 /nfs/dbraw/zinc/35/92/05/570359205.db2.gz LFUHDCCHIBGLIY-UHFFFAOYSA-N 1 2 385.870 3.699 50 0 GHAALO CC(=O)Nc1cccc(-n2cnn(C[N@@H+](C)[C@@H]3CCc4ccccc43)c2=S)c1 ZINC000026554571 570426973 /nfs/dbraw/zinc/42/69/73/570426973.db2.gz BKHCMHXVLYQLIX-HXUWFJFHSA-N 1 2 393.516 3.938 50 0 GHAALO CC(=O)Nc1cccc(-n2cnn(C[N@H+](C)[C@@H]3CCc4ccccc43)c2=S)c1 ZINC000026554571 570426975 /nfs/dbraw/zinc/42/69/75/570426975.db2.gz BKHCMHXVLYQLIX-HXUWFJFHSA-N 1 2 393.516 3.938 50 0 GHAALO CCOc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)no2)cc1 ZINC000027579992 570435947 /nfs/dbraw/zinc/43/59/47/570435947.db2.gz KGRPCBBLBURYNU-UHFFFAOYSA-N 1 2 391.471 3.698 50 0 GHAALO COc1ccc(C[N@H+](Cc2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027648939 570437911 /nfs/dbraw/zinc/43/79/11/570437911.db2.gz ZRFKCHTVFPNRQQ-SFHVURJKSA-N 1 2 379.909 3.538 50 0 GHAALO COc1ccc(C[N@@H+](Cc2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027648939 570437916 /nfs/dbraw/zinc/43/79/16/570437916.db2.gz ZRFKCHTVFPNRQQ-SFHVURJKSA-N 1 2 379.909 3.538 50 0 GHAALO CCOc1cccc(OCCN(C)C(=O)c2ccc(-c3[nH+]ccn3C)cc2)c1 ZINC000426627858 570502705 /nfs/dbraw/zinc/50/27/05/570502705.db2.gz WBCMMBURKXWAHR-UHFFFAOYSA-N 1 2 379.460 3.637 50 0 GHAALO CN(Cc1ccco1)C(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC000072306889 570524632 /nfs/dbraw/zinc/52/46/32/570524632.db2.gz DUOMLRHUZKHTRF-QGZVFWFLSA-N 1 2 377.282 3.838 50 0 GHAALO CCCCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCc2ccncc2)C1 ZINC000034910000 570547260 /nfs/dbraw/zinc/54/72/60/570547260.db2.gz VCQSOXGEJGTEFN-IBGZPJMESA-N 1 2 391.519 3.764 50 0 GHAALO O[C@@]1(C(F)(F)F)C=C[NH2+]N1c1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000006829226 570626611 /nfs/dbraw/zinc/62/66/11/570626611.db2.gz QSVAKWNQEWSJPV-LLVKDONJSA-N 1 2 382.289 3.671 50 0 GHAALO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057291873 570701738 /nfs/dbraw/zinc/70/17/38/570701738.db2.gz RQXMZFKMCMLDBS-CRAIPNDOSA-N 1 2 383.458 3.522 50 0 GHAALO Cc1cc(N)nc(SCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)[nH+]1 ZINC000007049354 570764359 /nfs/dbraw/zinc/76/43/59/570764359.db2.gz CVTUCZURFVVFMT-SFHVURJKSA-N 1 2 378.501 3.560 50 0 GHAALO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050250 570764859 /nfs/dbraw/zinc/76/48/59/570764859.db2.gz FKKGDSCLJNDTJE-CYBMUJFWSA-N 1 2 395.406 3.931 50 0 GHAALO c1[nH]c2c([nH+]1)CCN(Cc1ccc(Oc3ncccn3)cc1)[C@H]2c1cccnc1 ZINC000067561083 570781575 /nfs/dbraw/zinc/78/15/75/570781575.db2.gz XGYHCQPNTUCBOC-NRFANRHFSA-N 1 2 384.443 3.535 50 0 GHAALO C[N@H+](CC(=O)Nc1nnc(-c2ccccc2)o1)Cc1ccccc1C(F)(F)F ZINC000032788603 570810349 /nfs/dbraw/zinc/81/03/49/570810349.db2.gz LVULDHQUVHDUOT-UHFFFAOYSA-N 1 2 390.365 3.826 50 0 GHAALO C[N@@H+](CC(=O)Nc1nnc(-c2ccccc2)o1)Cc1ccccc1C(F)(F)F ZINC000032788603 570810352 /nfs/dbraw/zinc/81/03/52/570810352.db2.gz LVULDHQUVHDUOT-UHFFFAOYSA-N 1 2 390.365 3.826 50 0 GHAALO CCOc1ccc(NC(=O)N2CCN(c3[nH+]c4ccccc4n3CC)CC2)cc1 ZINC000033106440 570811207 /nfs/dbraw/zinc/81/12/07/570811207.db2.gz RUAROZLRRJKYMB-UHFFFAOYSA-N 1 2 393.491 3.809 50 0 GHAALO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccco1 ZINC000003351058 570860413 /nfs/dbraw/zinc/86/04/13/570860413.db2.gz YHMWGXYETFTREW-ZDUSSCGKSA-N 1 2 396.818 3.533 50 0 GHAALO Cc1ccc(C(=O)Cn2cc(-c3cccc(Br)c3)n(C)c2=[NH2+])cc1 ZINC000334157661 570934822 /nfs/dbraw/zinc/93/48/22/570934822.db2.gz ZJJANBLRAAXIEN-UHFFFAOYSA-N 1 2 384.277 3.927 50 0 GHAALO C[C@H](NC(=O)Nc1ccc(Cl)cc1)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182621 570941580 /nfs/dbraw/zinc/94/15/80/570941580.db2.gz RXORUYSBLFGGNO-SUMWQHHRSA-N 1 2 379.913 3.985 50 0 GHAALO C[C@H](NC(=O)C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000248378122 570966137 /nfs/dbraw/zinc/96/61/37/570966137.db2.gz IQZMGIOLJVXYTE-GAJHUEQPSA-N 1 2 377.463 3.910 50 0 GHAALO C[C@H](NC(=O)C[N@H+]1CCn2cccc2[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000248378122 570966141 /nfs/dbraw/zinc/96/61/41/570966141.db2.gz IQZMGIOLJVXYTE-GAJHUEQPSA-N 1 2 377.463 3.910 50 0 GHAALO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000023248940 570996748 /nfs/dbraw/zinc/99/67/48/570996748.db2.gz VLFYJEQKEWNILC-QZTJIDSGSA-N 1 2 385.939 3.724 50 0 GHAALO C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000023248940 570996752 /nfs/dbraw/zinc/99/67/52/570996752.db2.gz VLFYJEQKEWNILC-QZTJIDSGSA-N 1 2 385.939 3.724 50 0 GHAALO Cc1ccc(-c2nc(C[NH+]3CCN(c4nc(C)cnc4C)CC3)c(C)o2)s1 ZINC000019537783 571000342 /nfs/dbraw/zinc/00/03/42/571000342.db2.gz SLTXVIQZMYOMMB-UHFFFAOYSA-N 1 2 383.521 3.749 50 0 GHAALO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)Cc1cc2ccccc2o1 ZINC000119219938 843473034 /nfs/dbraw/zinc/47/30/34/843473034.db2.gz NWLHHYYFNSBYKT-UHFFFAOYSA-N 1 2 380.448 3.637 50 0 GHAALO c1ccc2c(c1)[nH+]c(NCc1ccc3c(c1)OCO3)nc2NCc1cccnc1 ZINC000227116943 862010947 /nfs/dbraw/zinc/01/09/47/862010947.db2.gz YGVXCDUYSCXVLC-UHFFFAOYSA-N 1 2 385.427 3.978 50 0 GHAALO C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)c1[nH+]cnc2c1cnn2C ZINC000040067584 856646178 /nfs/dbraw/zinc/64/61/78/856646178.db2.gz FDXLDTNHYRICHI-OAHLLOKOSA-N 1 2 383.459 3.900 50 0 GHAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(Oc2ncccn2)c1 ZINC000040145695 856680963 /nfs/dbraw/zinc/68/09/63/856680963.db2.gz YDQMUVGDIKDIKR-QGZVFWFLSA-N 1 2 380.452 3.702 50 0 GHAALO C[C@H](NC(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000245237744 856761623 /nfs/dbraw/zinc/76/16/23/856761623.db2.gz UMIQUGUBAKCTMD-MAUKXSAKSA-N 1 2 376.497 3.746 50 0 GHAALO C[C@H](NC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000245237744 856761636 /nfs/dbraw/zinc/76/16/36/856761636.db2.gz UMIQUGUBAKCTMD-MAUKXSAKSA-N 1 2 376.497 3.746 50 0 GHAALO Cc1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c(C)s1 ZINC000095393126 860562914 /nfs/dbraw/zinc/56/29/14/860562914.db2.gz NCDJLSDTXBVOCN-UHFFFAOYSA-N 1 2 379.551 3.619 50 0 GHAALO Cc1cc2[nH]c(C(=O)Nc3c(F)cccc3F)c(C[NH+]3CCOCC3)c2s1 ZINC000096363804 860902379 /nfs/dbraw/zinc/90/23/79/860902379.db2.gz FEFBJUVPYKJXFB-UHFFFAOYSA-N 1 2 391.443 3.901 50 0 GHAALO CCCCNC(=O)C1CCN(c2cc(C)c3cc(NC(C)=O)ccc3[nH+]2)CC1 ZINC000021704034 860911578 /nfs/dbraw/zinc/91/15/78/860911578.db2.gz WFTQGANRTBEODF-UHFFFAOYSA-N 1 2 382.508 3.634 50 0 GHAALO C[C@H](C(=O)NCc1ccccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022787916 872323612 /nfs/dbraw/zinc/32/36/12/872323612.db2.gz DEWSNZJEPXQEKX-QPGLYAHGSA-N 1 2 397.950 3.676 50 0 GHAALO O=C(C[N@@H+]1CC[C@@]2(C1)CCCOC2)Nc1c(Cl)cccc1C(F)(F)F ZINC000367064230 884399067 /nfs/dbraw/zinc/39/90/67/884399067.db2.gz BAGQHKLGALKTJQ-MRXNPFEDSA-N 1 2 376.806 3.800 50 0 GHAALO O=C(C[N@H+]1CC[C@@]2(C1)CCCOC2)Nc1c(Cl)cccc1C(F)(F)F ZINC000367064230 884399082 /nfs/dbraw/zinc/39/90/82/884399082.db2.gz BAGQHKLGALKTJQ-MRXNPFEDSA-N 1 2 376.806 3.800 50 0 GHAALO COc1ccc(OCc2nc(C[NH2+][C@H]3CCCc4nn(C)cc43)cs2)cc1 ZINC000282903558 919610229 /nfs/dbraw/zinc/61/02/29/919610229.db2.gz FSVDDHBTLUBCSX-SFHVURJKSA-N 1 2 384.505 3.631 50 0 GHAALO O=C(NCC1(c2cccc(OC(F)(F)F)c2)CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000655254077 930486912 /nfs/dbraw/zinc/48/69/12/930486912.db2.gz YPPQHJIWBSUOAN-CQSZACIVSA-N 1 2 393.409 3.582 50 0 GHAALO CC1(c2ccccc2)COC2(OC1)c1ccccc1N(C[NH+]1CCCCC1)C2=O ZINC000001026683 212205249 /nfs/dbraw/zinc/20/52/49/212205249.db2.gz KNINYTYNHUKDGY-UHFFFAOYSA-N 1 2 392.499 3.634 50 0 GHAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(C/C=C/c4ccccc4)CC3)c2cc1O ZINC000020533189 212152568 /nfs/dbraw/zinc/15/25/68/212152568.db2.gz NHRRIBVIKCYWCH-VMPITWQZSA-N 1 2 390.483 3.638 50 0 GHAALO O=C(/C=C/c1ccccc1Cl)NC[C@H](c1ccoc1)[NH+]1CCSCC1 ZINC000253394081 212135054 /nfs/dbraw/zinc/13/50/54/212135054.db2.gz ACCWAADYQGIZTF-DUMMIQTOSA-N 1 2 376.909 3.853 50 0 GHAALO S=c1n(C[NH+]2CCCC2)nc([C@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000003362759 220634922 /nfs/dbraw/zinc/63/49/22/220634922.db2.gz AGMYGVCNMJLIPV-LJQANCHMSA-N 1 2 394.500 3.969 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1ccc2c(c1)CCC2)c1ccc(Cl)cc1 ZINC000008118107 221026874 /nfs/dbraw/zinc/02/68/74/221026874.db2.gz MARGXWRUZBADCS-NRFANRHFSA-N 1 2 395.890 3.847 50 0 GHAALO COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000008134739 221027892 /nfs/dbraw/zinc/02/78/92/221027892.db2.gz BDAMPDBECUDUIZ-UHFFFAOYSA-N 1 2 385.489 3.881 50 0 GHAALO CC(C)c1ccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cc1 ZINC000009116006 221070221 /nfs/dbraw/zinc/07/02/21/221070221.db2.gz IMXYEQMSELBYBO-LJQANCHMSA-N 1 2 387.480 3.751 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000009115231 221070601 /nfs/dbraw/zinc/07/06/01/221070601.db2.gz DOPFYFYXXHUEEU-GOSISDBHSA-N 1 2 391.805 3.636 50 0 GHAALO Cc1ccc(Cl)c(OCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)c1 ZINC000012507515 221200056 /nfs/dbraw/zinc/20/00/56/221200056.db2.gz VHAASGJNLULIDU-LJQANCHMSA-N 1 2 387.842 3.806 50 0 GHAALO C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012525581 221201420 /nfs/dbraw/zinc/20/14/20/221201420.db2.gz IXFYEBYKBSKCLA-UHFFFAOYSA-N 1 2 395.466 3.870 50 0 GHAALO C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)Cc1nc2ccccc2c(=O)[nH]1 ZINC000012525581 221201422 /nfs/dbraw/zinc/20/14/22/221201422.db2.gz IXFYEBYKBSKCLA-UHFFFAOYSA-N 1 2 395.466 3.870 50 0 GHAALO C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000012380481 221187524 /nfs/dbraw/zinc/18/75/24/221187524.db2.gz YTBAMLUDWRYXLL-ZDUSSCGKSA-N 1 2 380.275 3.505 50 0 GHAALO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000012753373 221226039 /nfs/dbraw/zinc/22/60/39/221226039.db2.gz KPXONBARAHUPKJ-GOSISDBHSA-N 1 2 379.287 3.797 50 0 GHAALO O=C1CC2(CCCC2)C(=O)N1C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012936077 221248460 /nfs/dbraw/zinc/24/84/60/221248460.db2.gz DZKOIJHXXJHVJB-FQEVSTJZSA-N 1 2 380.513 3.972 50 0 GHAALO O=C1CC2(CCCC2)C(=O)N1C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012936077 221248461 /nfs/dbraw/zinc/24/84/61/221248461.db2.gz DZKOIJHXXJHVJB-FQEVSTJZSA-N 1 2 380.513 3.972 50 0 GHAALO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)Nc1cc(C)nn1-c1ccccc1 ZINC000015551226 221337448 /nfs/dbraw/zinc/33/74/48/221337448.db2.gz BVRPWIVWHUSKKP-UHFFFAOYSA-N 1 2 398.894 3.913 50 0 GHAALO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)Nc1cc(C)nn1-c1ccccc1 ZINC000015551226 221337451 /nfs/dbraw/zinc/33/74/51/221337451.db2.gz BVRPWIVWHUSKKP-UHFFFAOYSA-N 1 2 398.894 3.913 50 0 GHAALO CC(C)(C)c1ccc(S(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000017077482 221376590 /nfs/dbraw/zinc/37/65/90/221376590.db2.gz MRDDWUQSMRDJDU-UHFFFAOYSA-N 1 2 378.563 3.552 50 0 GHAALO CC(C)(C)c1ccc(C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000017078992 221377385 /nfs/dbraw/zinc/37/73/85/221377385.db2.gz DJWDAYWNMHXSQF-UHFFFAOYSA-N 1 2 386.561 3.632 50 0 GHAALO C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000058165268 136154751 /nfs/dbraw/zinc/15/47/51/136154751.db2.gz NCIDMIAEFIZBGD-KRWDZBQOSA-N 1 2 383.923 3.830 50 0 GHAALO CN(Cc1ccccc1)C(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000065245248 136161516 /nfs/dbraw/zinc/16/15/16/136161516.db2.gz BLQKRHOZLMUONA-IBGZPJMESA-N 1 2 393.535 3.706 50 0 GHAALO CN(Cc1ccccc1)C(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000065245248 136161517 /nfs/dbraw/zinc/16/15/17/136161517.db2.gz BLQKRHOZLMUONA-IBGZPJMESA-N 1 2 393.535 3.706 50 0 GHAALO COc1cc(C[NH+]2CCN(c3ccccc3F)CC2)cc(Br)c1O ZINC000055543741 136177590 /nfs/dbraw/zinc/17/75/90/136177590.db2.gz RKCNXUCGNYVFBD-UHFFFAOYSA-N 1 2 395.272 3.625 50 0 GHAALO FC(F)(F)c1ccc(N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)nc1 ZINC000008769462 136195742 /nfs/dbraw/zinc/19/57/42/136195742.db2.gz MSXNSNIXGGMVEI-UHFFFAOYSA-N 1 2 387.409 3.608 50 0 GHAALO Cc1c(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000021926526 221548027 /nfs/dbraw/zinc/54/80/27/221548027.db2.gz YSCSSMAXXKQWKR-UHFFFAOYSA-N 1 2 393.531 3.745 50 0 GHAALO O=C(CC[NH+]1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1 ZINC000055554997 222023309 /nfs/dbraw/zinc/02/33/09/222023309.db2.gz COYPQWFXZVIOEG-UHFFFAOYSA-N 1 2 391.284 3.983 50 0 aggregator GHAALO COc1c(C)c[nH+]c(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1C ZINC000050448135 222002892 /nfs/dbraw/zinc/00/28/92/222002892.db2.gz UYFIOEYKMFXECB-UHFFFAOYSA-N 1 2 398.438 3.535 50 0 GHAALO Cc1cc(C)cc(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)cc(F)cc4c(=O)c3C2)c1 ZINC000065035044 222096871 /nfs/dbraw/zinc/09/68/71/222096871.db2.gz JEUMVEIWOATIMA-UHFFFAOYSA-N 1 2 393.462 3.589 50 0 GHAALO Cc1cc(C)cc(NC(=O)C[N@H+]2CCc3[nH]c4c(C)cc(F)cc4c(=O)c3C2)c1 ZINC000065035044 222096874 /nfs/dbraw/zinc/09/68/74/222096874.db2.gz JEUMVEIWOATIMA-UHFFFAOYSA-N 1 2 393.462 3.589 50 0 GHAALO C[C@H](NC(=O)C[N@H+](C)Cc1csc(Br)c1)c1ccc(F)cc1 ZINC000060040772 222057964 /nfs/dbraw/zinc/05/79/64/222057964.db2.gz MAKVNSXZVBTQMU-NSHDSACASA-N 1 2 385.302 3.959 50 0 GHAALO C[C@H](NC(=O)C[N@@H+](C)Cc1csc(Br)c1)c1ccc(F)cc1 ZINC000060040772 222057966 /nfs/dbraw/zinc/05/79/66/222057966.db2.gz MAKVNSXZVBTQMU-NSHDSACASA-N 1 2 385.302 3.959 50 0 GHAALO Cc1cc(Nc2ncc(C[N@H+](C)Cc3cc(-c4ccncc4)no3)s2)n(C)n1 ZINC000063832977 222067538 /nfs/dbraw/zinc/06/75/38/222067538.db2.gz HJZHUJZOPDXTLX-UHFFFAOYSA-N 1 2 395.492 3.611 50 0 GHAALO Cc1cc(Nc2ncc(C[N@@H+](C)Cc3cc(-c4ccncc4)no3)s2)n(C)n1 ZINC000063832977 222067542 /nfs/dbraw/zinc/06/75/42/222067542.db2.gz HJZHUJZOPDXTLX-UHFFFAOYSA-N 1 2 395.492 3.611 50 0 GHAALO O=C(C[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1)NCc1ccccc1 ZINC000065250099 222116101 /nfs/dbraw/zinc/11/61/01/222116101.db2.gz IHWKGGOMVMMQFP-LJQANCHMSA-N 1 2 394.450 3.719 50 0 GHAALO O=C(C[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1)NCc1ccccc1 ZINC000065250099 222116105 /nfs/dbraw/zinc/11/61/05/222116105.db2.gz IHWKGGOMVMMQFP-LJQANCHMSA-N 1 2 394.450 3.719 50 0 GHAALO CCOc1cc([C@H]2CC(=O)NCc3[nH+]c4ccc(C)cn4c32)ccc1OC(C)C ZINC000065380817 222126824 /nfs/dbraw/zinc/12/68/24/222126824.db2.gz IQVDYJWLDMUKFT-QGZVFWFLSA-N 1 2 393.487 3.980 50 0 GHAALO Cc1cccc(C)c1NC(=O)c1cccc(C[N@@H+](C)Cc2cnc(N)nc2)c1 ZINC000065424489 222129540 /nfs/dbraw/zinc/12/95/40/222129540.db2.gz XPQNZKMMKPSORS-UHFFFAOYSA-N 1 2 375.476 3.560 50 0 GHAALO Cc1cccc(C)c1NC(=O)c1cccc(C[N@H+](C)Cc2cnc(N)nc2)c1 ZINC000065424489 222129544 /nfs/dbraw/zinc/12/95/44/222129544.db2.gz XPQNZKMMKPSORS-UHFFFAOYSA-N 1 2 375.476 3.560 50 0 GHAALO Cn1cc[nH+]c1CN1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000067774971 222159051 /nfs/dbraw/zinc/15/90/51/222159051.db2.gz QUXHUSAOLJDUKS-IBGZPJMESA-N 1 2 391.475 3.601 50 0 GHAALO Cc1ccc([C@@H]2CN(C(=O)c3cc(C(C)C)[nH]n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072141851 222211024 /nfs/dbraw/zinc/21/10/24/222211024.db2.gz HQUDRNGLPRLJNS-VLCRHTCISA-N 1 2 378.520 3.544 50 0 GHAALO O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000072429175 222258793 /nfs/dbraw/zinc/25/87/93/222258793.db2.gz KGEIUXOSNSTLHX-UHFFFAOYSA-N 1 2 380.835 3.858 50 0 GHAALO COc1ccc(F)c(F)c1C(=O)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095510269 222342555 /nfs/dbraw/zinc/34/25/55/222342555.db2.gz IOWWHQMKSGTBTI-AWEZNQCLSA-N 1 2 375.419 3.600 50 0 GHAALO Cc1nnc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)[nH]1 ZINC000095510466 222342936 /nfs/dbraw/zinc/34/29/36/222342936.db2.gz BMMYMJYNMGMCMB-AWEZNQCLSA-N 1 2 395.429 3.763 50 0 GHAALO Cc1nnc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)[nH]1 ZINC000095510466 222342939 /nfs/dbraw/zinc/34/29/39/222342939.db2.gz BMMYMJYNMGMCMB-AWEZNQCLSA-N 1 2 395.429 3.763 50 0 GHAALO O=C(c1ccc(OC(F)F)cc1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082120276 222310147 /nfs/dbraw/zinc/31/01/47/222310147.db2.gz PIEXSGLRORRNCM-INIZCTEOSA-N 1 2 375.419 3.914 50 0 GHAALO CCSc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCOC)C2)s1 ZINC000095525285 222348183 /nfs/dbraw/zinc/34/81/83/222348183.db2.gz QNSQALJMOAVLOO-AWEZNQCLSA-N 1 2 379.551 3.723 50 0 GHAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(F)cc1Br)C2 ZINC000112667830 222516043 /nfs/dbraw/zinc/51/60/43/222516043.db2.gz VCJCEDKYYHZYQX-UHFFFAOYSA-N 1 2 380.261 3.644 50 0 GHAALO Cc1c(Cl)ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000019830996 570223309 /nfs/dbraw/zinc/22/33/09/570223309.db2.gz WGZBAAMEJRNDSO-UHFFFAOYSA-N 1 2 399.343 3.808 50 0 GHAALO O=C(Cc1cnn(-c2ccccc2)c1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048263234 570224994 /nfs/dbraw/zinc/22/49/94/570224994.db2.gz PPKAKEYQXPXNDU-UHFFFAOYSA-N 1 2 389.503 3.507 50 0 GHAALO C[N@@H+]1CCc2nc3sc(C(=O)Nc4ccc(F)c(Cl)c4)c(N)c3cc2C1 ZINC000019853424 570225783 /nfs/dbraw/zinc/22/57/83/570225783.db2.gz HGIDXPSMOKRWSA-UHFFFAOYSA-N 1 2 390.871 3.911 50 0 GHAALO C[N@H+]1CCc2nc3sc(C(=O)Nc4ccc(F)c(Cl)c4)c(N)c3cc2C1 ZINC000019853424 570225787 /nfs/dbraw/zinc/22/57/87/570225787.db2.gz HGIDXPSMOKRWSA-UHFFFAOYSA-N 1 2 390.871 3.911 50 0 GHAALO CCOc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1 ZINC000019943015 570232945 /nfs/dbraw/zinc/23/29/45/570232945.db2.gz HWDXACNMAKCENC-QGZVFWFLSA-N 1 2 383.444 3.625 50 0 biogenic GHAALO CCOc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1 ZINC000019943015 570232947 /nfs/dbraw/zinc/23/29/47/570232947.db2.gz HWDXACNMAKCENC-QGZVFWFLSA-N 1 2 383.444 3.625 50 0 biogenic GHAALO CC(C)N1C[NH+]=C2N[C@H](c3ccc(Cl)cc3)n3c4ccccc4nc3N2C1 ZINC000020101309 570239374 /nfs/dbraw/zinc/23/93/74/570239374.db2.gz RDLRIAVIFPSTCJ-SFHVURJKSA-N 1 2 380.883 3.641 50 0 GHAALO CCc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)s1 ZINC000020213009 570248648 /nfs/dbraw/zinc/24/86/48/570248648.db2.gz KCFSXSBQHWJILC-UHFFFAOYSA-N 1 2 395.528 3.588 50 0 GHAALO CCCCCn1c2ccccc2n(C[C@H](O)COc2ccc(OC)cc2)c1=[NH2+] ZINC000020266890 570250547 /nfs/dbraw/zinc/25/05/47/570250547.db2.gz WAGHQEIGIYWMMH-KRWDZBQOSA-N 1 2 383.492 3.561 50 0 GHAALO CC(C)c1[nH]c2ccc(NC(=O)N3CCC[C@]4(CN(C)C(=O)O4)CC3)cc2[nH+]1 ZINC000097756332 570252894 /nfs/dbraw/zinc/25/28/94/570252894.db2.gz CUIOHNMNGBOAEL-HXUWFJFHSA-N 1 2 385.468 3.525 50 0 GHAALO CC(C)c1[nH]c2ccc(NC(=O)N3CCC[C@@]4(CN(C)C(=O)O4)CC3)cc2[nH+]1 ZINC000097756333 570252967 /nfs/dbraw/zinc/25/29/67/570252967.db2.gz CUIOHNMNGBOAEL-FQEVSTJZSA-N 1 2 385.468 3.525 50 0 GHAALO Cc1nnc(C2CC[NH+](CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000049365622 570263155 /nfs/dbraw/zinc/26/31/55/570263155.db2.gz SQRGXQYVHBEAKW-UHFFFAOYSA-N 1 2 384.427 3.683 50 0 GHAALO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)oc2c1C(=O)CC(C)(C)C2 ZINC000020547405 570267337 /nfs/dbraw/zinc/26/73/37/570267337.db2.gz RTMQNRRZXXWEIA-UHFFFAOYSA-N 1 2 380.488 3.701 50 0 GHAALO Cc1cc(N2CCN(Cc3ccc(Br)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000012860934 570267994 /nfs/dbraw/zinc/26/79/94/570267994.db2.gz GXDMLGCFAJECJY-UHFFFAOYSA-N 1 2 389.341 3.993 50 0 GHAALO C[N@H+](Cc1ccon1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000020868690 570283054 /nfs/dbraw/zinc/28/30/54/570283054.db2.gz YAYXHHUSXQEVBN-UHFFFAOYSA-N 1 2 388.427 3.888 50 0 GHAALO C[N@@H+](Cc1ccon1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000020868690 570283055 /nfs/dbraw/zinc/28/30/55/570283055.db2.gz YAYXHHUSXQEVBN-UHFFFAOYSA-N 1 2 388.427 3.888 50 0 GHAALO O=C(CC1=CSC2=[NH+]CCCN12)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000101909984 570286083 /nfs/dbraw/zinc/28/60/83/570286083.db2.gz FVDHJWBNMASOAG-OAHLLOKOSA-N 1 2 384.530 4.000 50 0 GHAALO Cc1ccc(C[N@@H+]2CCO[C@H](CN(C(=O)c3ccco3)C3CCCC3)C2)cc1 ZINC000034691973 570296430 /nfs/dbraw/zinc/29/64/30/570296430.db2.gz FBKWTNJCQCNUPT-NRFANRHFSA-N 1 2 382.504 3.874 50 0 GHAALO Cc1ccc(C[N@H+]2CCO[C@H](CN(C(=O)c3ccco3)C3CCCC3)C2)cc1 ZINC000034691973 570296433 /nfs/dbraw/zinc/29/64/33/570296433.db2.gz FBKWTNJCQCNUPT-NRFANRHFSA-N 1 2 382.504 3.874 50 0 GHAALO C[C@@H](Sc1ncnc2sccc21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022024900 570302215 /nfs/dbraw/zinc/30/22/15/570302215.db2.gz YISOSHDXGSELGJ-OAHLLOKOSA-N 1 2 398.557 3.516 50 0 GHAALO O=C(Cc1ccc(Cl)cc1Cl)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000022465720 570317868 /nfs/dbraw/zinc/31/78/68/570317868.db2.gz AENCGEPXHVFYEF-MRXNPFEDSA-N 1 2 399.343 3.787 50 0 GHAALO O=C(CC[NH+]1CCN(CC(F)(F)F)CC1)Nc1cc(Cl)ccc1Cl ZINC000022913055 570334083 /nfs/dbraw/zinc/33/40/83/570334083.db2.gz RHIIFXJTFLNPEP-UHFFFAOYSA-N 1 2 384.229 3.502 50 0 GHAALO O=C(CN1CC[NH+](Cc2ccc(Cl)cc2)CC1)Nc1ccc(F)c(F)c1F ZINC000022917519 570335466 /nfs/dbraw/zinc/33/54/66/570335466.db2.gz QPQMHZICPSSCCB-UHFFFAOYSA-N 1 2 397.828 3.514 50 0 GHAALO COc1ccc(C[NH+]2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cc1F ZINC000022930063 570336485 /nfs/dbraw/zinc/33/64/85/570336485.db2.gz ZFKUJCUXHQZAES-UHFFFAOYSA-N 1 2 381.451 3.807 50 0 GHAALO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CC(=O)c1ccc[nH]1)CC2 ZINC000035355451 570344413 /nfs/dbraw/zinc/34/44/13/570344413.db2.gz DFDOSDXVCVKNKL-NRFANRHFSA-N 1 2 382.485 3.924 50 0 GHAALO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CC(=O)c1ccc[nH]1)CC2 ZINC000035355451 570344414 /nfs/dbraw/zinc/34/44/14/570344414.db2.gz DFDOSDXVCVKNKL-NRFANRHFSA-N 1 2 382.485 3.924 50 0 GHAALO Cc1cc(C)c([C@H](C)NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)cc1C ZINC000023257910 570353316 /nfs/dbraw/zinc/35/33/16/570353316.db2.gz BFCWQSBLSOHROP-IBGZPJMESA-N 1 2 385.577 3.668 50 0 GHAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(OC)cc3)c2C1 ZINC000023873138 570374568 /nfs/dbraw/zinc/37/45/68/570374568.db2.gz HMGBKMSHXJORFA-UHFFFAOYSA-N 1 2 375.472 3.551 50 0 GHAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(OC)cc3)c2C1 ZINC000023873138 570374570 /nfs/dbraw/zinc/37/45/70/570374570.db2.gz HMGBKMSHXJORFA-UHFFFAOYSA-N 1 2 375.472 3.551 50 0 GHAALO O=C(Cc1ccc(Cl)cc1Cl)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000024084052 570378506 /nfs/dbraw/zinc/37/85/06/570378506.db2.gz PDBOEGGRJQBVHE-IBGZPJMESA-N 1 2 393.314 3.726 50 0 GHAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000024840925 570395509 /nfs/dbraw/zinc/39/55/09/570395509.db2.gz QRPJFXMHDTZALD-ZDUSSCGKSA-N 1 2 398.334 3.655 50 0 GHAALO COC(=O)C[C@@H](CC(C)C)c1oc(C[N@@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524730166 570420602 /nfs/dbraw/zinc/42/06/02/570420602.db2.gz YCGOAOCXCPLQEY-GOSISDBHSA-N 1 2 399.487 3.597 50 0 biogenic GHAALO COC(=O)C[C@@H](CC(C)C)c1oc(C[N@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524730166 570420604 /nfs/dbraw/zinc/42/06/04/570420604.db2.gz YCGOAOCXCPLQEY-GOSISDBHSA-N 1 2 399.487 3.597 50 0 biogenic GHAALO O=C(c1csc2c1CCCC2)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000027142954 570431909 /nfs/dbraw/zinc/43/19/09/570431909.db2.gz AELCNJRYYZAMDQ-UHFFFAOYSA-N 1 2 382.529 3.520 50 0 GHAALO C[C@H](CCc1ccccc1)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000029319879 570471885 /nfs/dbraw/zinc/47/18/85/570471885.db2.gz KUPMHRXHLFBGFI-UZLBHIALSA-N 1 2 380.467 3.969 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccccc1F ZINC000030646941 570493084 /nfs/dbraw/zinc/49/30/84/570493084.db2.gz PJJGRUVKBIIUNA-NRFANRHFSA-N 1 2 375.451 3.683 50 0 GHAALO Cc1[nH+]cc(CNC(=O)Nc2cccc(N3CCCC3=O)c2)n1-c1ccccc1 ZINC000072305596 570520200 /nfs/dbraw/zinc/52/02/00/570520200.db2.gz JBTJWURWGNKLQH-UHFFFAOYSA-N 1 2 389.459 3.629 50 0 GHAALO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1cccc(Cl)c1Cl ZINC000022912421 570571282 /nfs/dbraw/zinc/57/12/82/570571282.db2.gz KRHAEICUSHIVDX-UHFFFAOYSA-N 1 2 384.332 3.811 50 0 GHAALO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(OC2CCCC2)CC1 ZINC000225524615 570583635 /nfs/dbraw/zinc/58/36/35/570583635.db2.gz FAEDVDDQPZSAPM-OAHLLOKOSA-N 1 2 382.512 3.682 50 0 GHAALO COC(=O)C[N@H+](C)Cc1cn(-c2ccccc2F)nc1-c1cc(C)sc1C ZINC000039413139 570591258 /nfs/dbraw/zinc/59/12/58/570591258.db2.gz DNBVKSFKRLRTSI-UHFFFAOYSA-N 1 2 387.480 3.962 50 0 GHAALO COC(=O)C[N@@H+](C)Cc1cn(-c2ccccc2F)nc1-c1cc(C)sc1C ZINC000039413139 570591264 /nfs/dbraw/zinc/59/12/64/570591264.db2.gz DNBVKSFKRLRTSI-UHFFFAOYSA-N 1 2 387.480 3.962 50 0 GHAALO CCn1cc[nH+]c1CNc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cn1 ZINC000039551452 570593338 /nfs/dbraw/zinc/59/33/38/570593338.db2.gz WCOGNOOFIWAZEH-UHFFFAOYSA-N 1 2 376.420 3.636 50 0 GHAALO Cc1ccc(C)c(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)C3CCC3)CC2)c1 ZINC000006834628 570637497 /nfs/dbraw/zinc/63/74/97/570637497.db2.gz FIBORTXBPLLYCR-UHFFFAOYSA-N 1 2 392.547 3.750 50 0 GHAALO C[C@H]1CN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000004354712 570691465 /nfs/dbraw/zinc/69/14/65/570691465.db2.gz VJGBHENYXOXKNI-QWRGUYRKSA-N 1 2 378.263 3.736 50 0 GHAALO O=C(NCc1cccnc1)c1ccc(-c2ccc(N3CCSCC3)[nH+]c2)cc1 ZINC000065178302 570724108 /nfs/dbraw/zinc/72/41/08/570724108.db2.gz RRRKCYFXQUHPFP-UHFFFAOYSA-N 1 2 390.512 3.627 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCC1(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000032802330 570821132 /nfs/dbraw/zinc/82/11/32/570821132.db2.gz ZHTXULFPUIZFFA-IBGZPJMESA-N 1 2 378.451 3.680 50 0 GHAALO O=C(C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000012540601 570841441 /nfs/dbraw/zinc/84/14/41/570841441.db2.gz GLGFRECEZCASNI-NRFANRHFSA-N 1 2 399.922 3.952 50 0 GHAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000012540601 570841445 /nfs/dbraw/zinc/84/14/45/570841445.db2.gz GLGFRECEZCASNI-NRFANRHFSA-N 1 2 399.922 3.952 50 0 GHAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc[nH]c1=S ZINC000032882765 570884242 /nfs/dbraw/zinc/88/42/42/570884242.db2.gz YOQAPWBOWXJQRN-UHFFFAOYSA-N 1 2 382.514 3.637 50 0 GHAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc[nH]c1=S ZINC000032882765 570884245 /nfs/dbraw/zinc/88/42/45/570884245.db2.gz YOQAPWBOWXJQRN-UHFFFAOYSA-N 1 2 382.514 3.637 50 0 GHAALO Cc1cc(C)[nH+]c(-c2cccc(C(=O)N3CCOc4ccc(CO)cc4C3)c2)c1 ZINC000299762839 570892796 /nfs/dbraw/zinc/89/27/96/570892796.db2.gz BPZZWCAOBAQWHL-UHFFFAOYSA-N 1 2 388.467 3.893 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(CSc2ccccn2)cc1)C1CC1 ZINC000299784156 570895501 /nfs/dbraw/zinc/89/55/01/570895501.db2.gz IXTGQPUSBCEYFO-LJQANCHMSA-N 1 2 378.501 3.989 50 0 GHAALO CCn1cc(-c2cccc(C(=O)N3CC[NH+](Cc4cccs4)CC3)c2)cn1 ZINC000299797314 570897543 /nfs/dbraw/zinc/89/75/43/570897543.db2.gz PTQFGJICZGPOKP-UHFFFAOYSA-N 1 2 380.517 3.590 50 0 GHAALO Cc1ccccc1NC(=S)N[C@H](C)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182168 570944948 /nfs/dbraw/zinc/94/49/48/570944948.db2.gz GAZVSJWYGOUUHF-CRAIPNDOSA-N 1 2 375.563 3.805 50 0 GHAALO O=C(NC[C@@H]1CCCN1c1cccc[nH+]1)c1cc(Br)ccc1Cl ZINC000225630327 570959346 /nfs/dbraw/zinc/95/93/46/570959346.db2.gz OUGGARBFTRBXJU-ZDUSSCGKSA-N 1 2 394.700 3.896 50 0 GHAALO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539717 570964117 /nfs/dbraw/zinc/96/41/17/570964117.db2.gz YFSMSYYEKRHFGL-CYBMUJFWSA-N 1 2 381.904 3.656 50 0 GHAALO O=C(NC1CC[NH+](Cc2ccn(-c3ccc(F)cc3F)n2)CC1)c1ccccc1 ZINC000252485765 570969588 /nfs/dbraw/zinc/96/95/88/570969588.db2.gz HDJBGNZZWWJCOL-UHFFFAOYSA-N 1 2 396.441 3.545 50 0 GHAALO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000079020250 842531708 /nfs/dbraw/zinc/53/17/08/842531708.db2.gz NGABRZLRJPAUDO-HOCLYGCPSA-N 1 2 395.931 3.917 50 0 GHAALO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000079020250 842531715 /nfs/dbraw/zinc/53/17/15/842531715.db2.gz NGABRZLRJPAUDO-HOCLYGCPSA-N 1 2 395.931 3.917 50 0 GHAALO Cc1cc(N2CCN(C(=O)COc3ccccc3C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000031493690 862593733 /nfs/dbraw/zinc/59/37/33/862593733.db2.gz HLIWGLPSLVWSPX-UHFFFAOYSA-N 1 2 396.535 3.759 50 0 GHAALO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120366630 862750478 /nfs/dbraw/zinc/75/04/78/862750478.db2.gz FOHHAAQKMYXQFK-AWEZNQCLSA-N 1 2 397.441 3.509 50 0 GHAALO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1OC(C)C ZINC000040156905 856687837 /nfs/dbraw/zinc/68/78/37/856687837.db2.gz FQWHVWNXIMCJLI-UHFFFAOYSA-N 1 2 383.492 3.893 50 0 GHAALO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccccc1OC(C)C ZINC000040156905 856687842 /nfs/dbraw/zinc/68/78/42/856687842.db2.gz FQWHVWNXIMCJLI-UHFFFAOYSA-N 1 2 383.492 3.893 50 0 GHAALO CC[NH+]1CCN(c2ncc3c(n2)C[C@@H](c2ccc(C(C)C)cc2)CC3=O)CC1 ZINC000002439621 859180164 /nfs/dbraw/zinc/18/01/64/859180164.db2.gz MFFSGUHHOMHNMJ-LJQANCHMSA-N 1 2 378.520 3.655 50 0 GHAALO Cc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2cccnc2)cc1C ZINC000020107758 860487343 /nfs/dbraw/zinc/48/73/43/860487343.db2.gz VTULTDJQMYLTKV-UHFFFAOYSA-N 1 2 398.576 3.620 50 0 GHAALO CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)N4CCCCC4)CC3)cc(C)c2c1 ZINC000021704111 860911325 /nfs/dbraw/zinc/91/13/25/860911325.db2.gz SMOQDPVOMFAASP-UHFFFAOYSA-N 1 2 394.519 3.731 50 0 GHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)NC4CCCCC4)C3)no2)cc1 ZINC000021724583 860924993 /nfs/dbraw/zinc/92/49/93/860924993.db2.gz DWILVYUFXFMAFH-SFHVURJKSA-N 1 2 382.508 3.706 50 0 GHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)NC4CCCCC4)C3)no2)cc1 ZINC000021724583 860925007 /nfs/dbraw/zinc/92/50/07/860925007.db2.gz DWILVYUFXFMAFH-SFHVURJKSA-N 1 2 382.508 3.706 50 0 GHAALO CCN(C(C)=O)c1nc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cs1 ZINC000172815771 863985542 /nfs/dbraw/zinc/98/55/42/863985542.db2.gz UKHLGCQCEODZOV-UHFFFAOYSA-N 1 2 383.521 3.772 50 0 GHAALO Cc1c[nH+]c(-c2ccncc2)n1C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000575548744 866188875 /nfs/dbraw/zinc/18/88/75/866188875.db2.gz GODPBERFJQWECR-SFHVURJKSA-N 1 2 390.487 3.885 50 0 GHAALO Cc1c[nH+]c(-c2ccncc2)n1[C@@H]1CCCN(C(=O)COCc2ccccc2)C1 ZINC000581807076 870036630 /nfs/dbraw/zinc/03/66/30/870036630.db2.gz IKUKCDBPNNMLNF-OAQYLSRUSA-N 1 2 390.487 3.634 50 0 GHAALO Cc1c[nH+]c(-c2ccncc2)n1[C@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000581806970 870037270 /nfs/dbraw/zinc/03/72/70/870037270.db2.gz FZDJNLFWZVLTGZ-FQEVSTJZSA-N 1 2 375.476 3.800 50 0 GHAALO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000182423393 872322680 /nfs/dbraw/zinc/32/26/80/872322680.db2.gz UHJRGMIFUQBDRS-HNNXBMFYSA-N 1 2 391.899 3.708 50 0 GHAALO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](Cc4cccnc4C)CC3)n2)cc1 ZINC000092010583 911367062 /nfs/dbraw/zinc/36/70/62/911367062.db2.gz WQSNTGQEQRMFJN-SFHVURJKSA-N 1 2 377.492 3.627 50 0 GHAALO Fc1ccc(-c2cnc(C[NH2+][C@H](CN3CCOCC3)c3ccccc3)o2)cc1 ZINC000122569771 912183106 /nfs/dbraw/zinc/18/31/06/912183106.db2.gz IKMWCDZQVWKWHT-HXUWFJFHSA-N 1 2 381.451 3.644 50 0 GHAALO CC(=O)N1CC[NH+](Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)CC1 ZINC000015079545 919360018 /nfs/dbraw/zinc/36/00/18/919360018.db2.gz OXLJMENZJIJBOW-UHFFFAOYSA-N 1 2 380.536 3.799 50 0 GHAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ncc(Br)cc1Cl ZINC000663922085 930492361 /nfs/dbraw/zinc/49/23/61/930492361.db2.gz PLAQZUOPZFXBRM-SNVBAGLBSA-N 1 2 395.688 3.688 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCCC(F)(F)F)csc3C2)nc1 ZINC000426552425 529643542 /nfs/dbraw/zinc/64/35/42/529643542.db2.gz YTGBAEFABJMQSH-UHFFFAOYSA-N 1 2 397.466 3.946 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCCC(F)(F)F)csc3C2)nc1 ZINC000426552425 529643544 /nfs/dbraw/zinc/64/35/44/529643544.db2.gz YTGBAEFABJMQSH-UHFFFAOYSA-N 1 2 397.466 3.946 50 0 GHAALO CCCOC(=O)c1ccc(OC[C@H](O)Cn2c(CCC)[nH+]c3ccccc32)cc1 ZINC000002054353 212263552 /nfs/dbraw/zinc/26/35/52/212263552.db2.gz WQYIZIRYYRFPAL-GOSISDBHSA-N 1 2 396.487 3.996 50 0 GHAALO Cc1cccn2cc(CSc3nnc([C@H]4COc5ccccc5O4)n3C)[nH+]c12 ZINC000006582741 220942895 /nfs/dbraw/zinc/94/28/95/220942895.db2.gz NKXKDILBAVOBHA-QGZVFWFLSA-N 1 2 393.472 3.576 50 0 GHAALO COc1cccc(C[N@H+](C)CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000007670295 221005693 /nfs/dbraw/zinc/00/56/93/221005693.db2.gz KLGXHZGBOKRFCM-UHFFFAOYSA-N 1 2 378.476 3.568 50 0 GHAALO COc1cccc(C[N@@H+](C)CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000007670295 221005696 /nfs/dbraw/zinc/00/56/96/221005696.db2.gz KLGXHZGBOKRFCM-UHFFFAOYSA-N 1 2 378.476 3.568 50 0 GHAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2F)c1 ZINC000007717179 221006872 /nfs/dbraw/zinc/00/68/72/221006872.db2.gz KYHVQFAVMCQMTM-GOSISDBHSA-N 1 2 376.403 3.758 50 0 GHAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2F)c1 ZINC000007717179 221006875 /nfs/dbraw/zinc/00/68/75/221006875.db2.gz KYHVQFAVMCQMTM-GOSISDBHSA-N 1 2 376.403 3.758 50 0 GHAALO C[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1cnn(-c2ccccc2)c1 ZINC000008161283 221029338 /nfs/dbraw/zinc/02/93/38/221029338.db2.gz DXYZLENIRPEJCB-UHFFFAOYSA-N 1 2 389.503 3.543 50 0 GHAALO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1cnn(-c2ccccc2)c1 ZINC000008161283 221029341 /nfs/dbraw/zinc/02/93/41/221029341.db2.gz DXYZLENIRPEJCB-UHFFFAOYSA-N 1 2 389.503 3.543 50 0 GHAALO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccsc1 ZINC000008896071 221062900 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50 0 GHAALO CC(=O)c1cc2c(cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)OCO2 ZINC000012809777 221235372 /nfs/dbraw/zinc/23/53/72/221235372.db2.gz HPOVJPAXSRPMGB-GOSISDBHSA-N 1 2 384.407 3.533 50 0 GHAALO C[N@H+](CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000012815671 221236086 /nfs/dbraw/zinc/23/60/86/221236086.db2.gz LSYVKXPYXATFFN-HBMCJLEFSA-N 1 2 378.447 3.756 50 0 GHAALO C[N@@H+](CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000012815671 221236089 /nfs/dbraw/zinc/23/60/89/221236089.db2.gz LSYVKXPYXATFFN-HBMCJLEFSA-N 1 2 378.447 3.756 50 0 GHAALO FC(F)(F)c1cccc(CNc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)c1 ZINC000012825423 221237234 /nfs/dbraw/zinc/23/72/34/221237234.db2.gz RWMURYKHOVMHDZ-UHFFFAOYSA-N 1 2 392.429 3.703 50 0 GHAALO COc1ccc(OCc2noc(C[N@H+]3CC=C(c4ccccc4)CC3)n2)cc1 ZINC000012895053 221241948 /nfs/dbraw/zinc/24/19/48/221241948.db2.gz HLDSJZSQOKLAOH-UHFFFAOYSA-N 1 2 377.444 3.947 50 0 GHAALO COc1ccc(OCc2noc(C[N@@H+]3CC=C(c4ccccc4)CC3)n2)cc1 ZINC000012895053 221241950 /nfs/dbraw/zinc/24/19/50/221241950.db2.gz HLDSJZSQOKLAOH-UHFFFAOYSA-N 1 2 377.444 3.947 50 0 GHAALO Cc1noc(C)c1Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)o1 ZINC000013641663 221278737 /nfs/dbraw/zinc/27/87/37/221278737.db2.gz BTABNMMWGDGRSM-UHFFFAOYSA-N 1 2 397.450 3.572 50 0 GHAALO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3cnc(SC)nc3)C2)cc1C ZINC000014965976 221321803 /nfs/dbraw/zinc/32/18/03/221321803.db2.gz MTTBGFPFKMXDAD-KRWDZBQOSA-N 1 2 385.533 3.919 50 0 GHAALO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3cnc(SC)nc3)C2)cc1C ZINC000014965976 221321806 /nfs/dbraw/zinc/32/18/06/221321806.db2.gz MTTBGFPFKMXDAD-KRWDZBQOSA-N 1 2 385.533 3.919 50 0 GHAALO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000015293942 221333752 /nfs/dbraw/zinc/33/37/52/221333752.db2.gz CZOSLUPTHFQSIM-MRXNPFEDSA-N 1 2 382.504 3.502 50 0 GHAALO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000015293942 221333755 /nfs/dbraw/zinc/33/37/55/221333755.db2.gz CZOSLUPTHFQSIM-MRXNPFEDSA-N 1 2 382.504 3.502 50 0 GHAALO COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048410 221385911 /nfs/dbraw/zinc/38/59/11/221385911.db2.gz OKXGCJONJIPNDB-HNNXBMFYSA-N 1 2 377.444 3.503 50 0 GHAALO CC1CCN(c2ccc(-c3noc(C[N@H+](C)Cc4ccccc4)n3)cn2)CC1 ZINC000065216127 136160270 /nfs/dbraw/zinc/16/02/70/136160270.db2.gz KBZKEGCQLPVART-UHFFFAOYSA-N 1 2 377.492 4.000 50 0 GHAALO CC1CCN(c2ccc(-c3noc(C[N@@H+](C)Cc4ccccc4)n3)cn2)CC1 ZINC000065216127 136160271 /nfs/dbraw/zinc/16/02/71/136160271.db2.gz KBZKEGCQLPVART-UHFFFAOYSA-N 1 2 377.492 4.000 50 0 GHAALO O=C(Nc1cccc(Cl)c1)C1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000065237009 136160988 /nfs/dbraw/zinc/16/09/88/136160988.db2.gz YWAIMPPOIYMNCV-UHFFFAOYSA-N 1 2 385.899 3.585 50 0 GHAALO O=C(Nc1cccc(Cl)c1)C1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000065237009 136160989 /nfs/dbraw/zinc/16/09/89/136160989.db2.gz YWAIMPPOIYMNCV-UHFFFAOYSA-N 1 2 385.899 3.585 50 0 GHAALO CC[C@H](C)c1nc(N2CCN(C(C)=O)CC2)c(Cc2cccc(C)c2)c(C)[nH+]1 ZINC000085898286 136175400 /nfs/dbraw/zinc/17/54/00/136175400.db2.gz GBSJEVSWQPBAFI-KRWDZBQOSA-N 1 2 380.536 3.866 50 0 GHAALO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cnoc1-c1ccc(Cl)cc1 ZINC000095430191 136179159 /nfs/dbraw/zinc/17/91/59/136179159.db2.gz MMLHHWWWLWFHML-UHFFFAOYSA-N 1 2 382.851 3.789 50 0 GHAALO Cc1nc(N2CCN(C(=O)C(C)C)CC2)c(Cc2ccc(F)cc2)c(C(C)C)[nH+]1 ZINC000096317693 136186510 /nfs/dbraw/zinc/18/65/10/136186510.db2.gz CIQJYKASKQFSIN-UHFFFAOYSA-N 1 2 398.526 3.943 50 0 GHAALO CCc1c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cnn1-c1ccccc1 ZINC000024437759 221613864 /nfs/dbraw/zinc/61/38/64/221613864.db2.gz PPVQEACZQLKKER-UHFFFAOYSA-N 1 2 385.471 3.610 50 0 GHAALO C[N@H+](Cc1cnn(Cc2ccccc2)c1)[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000057369501 222032264 /nfs/dbraw/zinc/03/22/64/222032264.db2.gz HXPAILYZGCOGBY-HSZRJFAPSA-N 1 2 388.515 3.727 50 0 GHAALO C[N@@H+](Cc1cnn(Cc2ccccc2)c1)[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000057369501 222032268 /nfs/dbraw/zinc/03/22/68/222032268.db2.gz HXPAILYZGCOGBY-HSZRJFAPSA-N 1 2 388.515 3.727 50 0 GHAALO CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000050490491 222002318 /nfs/dbraw/zinc/00/23/18/222002318.db2.gz TWQWTFNGEJYJEH-IBGZPJMESA-N 1 2 379.416 3.860 50 0 GHAALO O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000052872875 222008426 /nfs/dbraw/zinc/00/84/26/222008426.db2.gz YTOQQICUWMSBEY-NRFANRHFSA-N 1 2 398.453 3.879 50 0 GHAALO COc1cc(NC(=S)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc(OC)c1 ZINC000054254198 222013212 /nfs/dbraw/zinc/01/32/12/222013212.db2.gz JAFQAOSQKDLMQS-RMKNXTFCSA-N 1 2 397.544 3.732 50 0 GHAALO CCOc1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC000058180983 222044297 /nfs/dbraw/zinc/04/42/97/222044297.db2.gz HAABCFBUNNFUIJ-UHFFFAOYSA-N 1 2 378.432 3.563 50 0 GHAALO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCN(c2nccs2)CC1 ZINC000058512222 222054249 /nfs/dbraw/zinc/05/42/49/222054249.db2.gz UEUJOGBNDLYQLE-QGZVFWFLSA-N 1 2 392.528 3.959 50 0 GHAALO Fc1ccc([C@]2(c3noc(CCc4[nH]c5ccccc5[nH+]4)n3)CCOC2)cc1 ZINC000067871496 222164688 /nfs/dbraw/zinc/16/46/88/222164688.db2.gz PAZXALSUIXQNTG-NRFANRHFSA-N 1 2 378.407 3.577 50 0 GHAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1ccc2[nH]ccc2c1 ZINC000067908845 222168223 /nfs/dbraw/zinc/16/82/23/222168223.db2.gz GHNPQRPSLISRKE-UHFFFAOYSA-N 1 2 385.471 3.567 50 0 GHAALO CCOc1cccc([C@H](C)NC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000068842608 222173367 /nfs/dbraw/zinc/17/33/67/222173367.db2.gz REONIVSWUZOZQU-KRWDZBQOSA-N 1 2 378.476 3.891 50 0 GHAALO CC(C)[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)OCCO2 ZINC000069536606 222174609 /nfs/dbraw/zinc/17/46/09/222174609.db2.gz MUBCERCAFGOCAO-QFIPXVFZSA-N 1 2 391.471 3.830 50 0 GHAALO Cc1cc(N2CC[C@@]3(C2)CCCN(Cc2cccnc2)C3=O)[nH+]c2ccccc12 ZINC000072434734 222260216 /nfs/dbraw/zinc/26/02/16/222260216.db2.gz ZHGQLOFOZVLOEW-XMMPIXPASA-N 1 2 386.499 3.957 50 0 GHAALO Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3cncs3)c2)s1 ZINC000095509275 222340359 /nfs/dbraw/zinc/34/03/59/222340359.db2.gz NKRAGTOITZKRFE-KRWDZBQOSA-N 1 2 399.545 3.963 50 0 GHAALO Cc1nnc(-c2cccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3cncs3)c2)s1 ZINC000095509275 222340363 /nfs/dbraw/zinc/34/03/63/222340363.db2.gz NKRAGTOITZKRFE-KRWDZBQOSA-N 1 2 399.545 3.963 50 0 GHAALO COc1ccc(OC)c([C@H]2CCN(C(=O)c3ccccc3-c3[nH]cc[nH+]3)C2)c1 ZINC000077423634 222281420 /nfs/dbraw/zinc/28/14/20/222281420.db2.gz MTGFXCZIKDZMQB-HNNXBMFYSA-N 1 2 377.444 3.724 50 0 GHAALO O=C(C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)NCC1CCCCC1 ZINC000078680197 222295962 /nfs/dbraw/zinc/29/59/62/222295962.db2.gz NMVDLMHDZZIABU-UHFFFAOYSA-N 1 2 376.928 3.931 50 0 GHAALO O=C(Nc1ccccc1F)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095530049 222353323 /nfs/dbraw/zinc/35/33/23/222353323.db2.gz MCLPHPCXRYETPM-UHFFFAOYSA-N 1 2 379.439 3.877 50 0 GHAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cn1)c1ccccc1SC(F)(F)F ZINC000095976307 222367883 /nfs/dbraw/zinc/36/78/83/222367883.db2.gz DYKMZVDLDFWEAN-UHFFFAOYSA-N 1 2 397.422 3.778 50 0 GHAALO O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025176348 527207309 /nfs/dbraw/zinc/20/73/09/527207309.db2.gz KBEUPLRULOBOID-UHFFFAOYSA-N 1 2 383.835 3.537 50 0 GHAALO O=C1CCCN1C[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccccc1 ZINC000047795041 570215517 /nfs/dbraw/zinc/21/55/17/570215517.db2.gz ZWAVRDGCRVDWJB-IBGZPJMESA-N 1 2 378.501 3.658 50 0 GHAALO Cc1cc(Cl)ccc1OCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019827498 570223120 /nfs/dbraw/zinc/22/31/20/570223120.db2.gz AXSIQKWGHDGQLM-VMPITWQZSA-N 1 2 384.907 3.885 50 0 GHAALO CCCCOc1ccc(C(=O)NCC2(N3CC[NH+](C)CC3)CCCCC2)cc1 ZINC000019902170 570228973 /nfs/dbraw/zinc/22/89/73/570228973.db2.gz KLJPESFRBHWANT-UHFFFAOYSA-N 1 2 387.568 3.546 50 0 GHAALO COc1cc(C[NH2+]Cc2cc(C)on2)cc(Br)c1OC(F)F ZINC000048277632 570230448 /nfs/dbraw/zinc/23/04/48/570230448.db2.gz IVXKFCSAAUMWMS-UHFFFAOYSA-N 1 2 377.185 3.645 50 0 GHAALO O=c1[nH]c(=S)n(-c2ccc(Cl)cc2)c2c1C[N@@H+](CCc1ccccc1)CN2 ZINC000019939114 570232393 /nfs/dbraw/zinc/23/23/93/570232393.db2.gz SWBITFZPPOERQO-UHFFFAOYSA-N 1 2 398.919 3.976 50 0 GHAALO O=c1[nH]c(=S)n(-c2ccc(Cl)cc2)c2c1C[N@H+](CCc1ccccc1)CN2 ZINC000019939114 570232397 /nfs/dbraw/zinc/23/23/97/570232397.db2.gz SWBITFZPPOERQO-UHFFFAOYSA-N 1 2 398.919 3.976 50 0 GHAALO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1 ZINC000020045182 570237427 /nfs/dbraw/zinc/23/74/27/570237427.db2.gz YHYOBWUPBXDPOC-UHFFFAOYSA-N 1 2 399.343 3.808 50 0 GHAALO C[N@@H+]1CCN(C(=O)c2csc(Cc3ccccc3)n2)[C@@H](c2ccccc2)C1 ZINC000032941263 570249477 /nfs/dbraw/zinc/24/94/77/570249477.db2.gz WBAQGSVCACANQL-HXUWFJFHSA-N 1 2 377.513 3.863 50 0 GHAALO C[N@H+]1CCN(C(=O)c2csc(Cc3ccccc3)n2)[C@@H](c2ccccc2)C1 ZINC000032941263 570249480 /nfs/dbraw/zinc/24/94/80/570249480.db2.gz WBAQGSVCACANQL-HXUWFJFHSA-N 1 2 377.513 3.863 50 0 GHAALO COc1ccc(OC)c([C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)c1 ZINC000097713662 570250418 /nfs/dbraw/zinc/25/04/18/570250418.db2.gz SUKRQVAESRMNOR-QGZVFWFLSA-N 1 2 377.444 3.519 50 0 GHAALO O=C(c1cccc(Br)c1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020436790 570256152 /nfs/dbraw/zinc/25/61/52/570256152.db2.gz QXBQNYXVPRGVAR-UHFFFAOYSA-N 1 2 377.257 3.546 50 0 GHAALO Cc1ccccc1NC(=O)CSc1nnc(CCc2[nH]c3ccccc3[nH+]2)o1 ZINC000049028983 570260345 /nfs/dbraw/zinc/26/03/45/570260345.db2.gz YLXBVKUSXUPDRG-UHFFFAOYSA-N 1 2 393.472 3.770 50 0 GHAALO CC(C)N1C[NH+]=C2N[C@H](c3ccc(Cl)cc3F)n3c4ccccc4nc3N2C1 ZINC000020721829 570276394 /nfs/dbraw/zinc/27/63/94/570276394.db2.gz UPSKIXJXZYMXAU-SFHVURJKSA-N 1 2 398.873 3.780 50 0 GHAALO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000035287176 570282127 /nfs/dbraw/zinc/28/21/27/570282127.db2.gz YJEOTNNCCNPLTQ-GJZGRUSLSA-N 1 2 387.430 3.643 50 0 GHAALO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000035287176 570282128 /nfs/dbraw/zinc/28/21/28/570282128.db2.gz YJEOTNNCCNPLTQ-GJZGRUSLSA-N 1 2 387.430 3.643 50 0 GHAALO CC[C@@H](C)c1n[nH]c2c1CN(C(=O)Cn1c3ccccc3[nH+]c1C(C)C)CC2 ZINC000020867438 570282691 /nfs/dbraw/zinc/28/26/91/570282691.db2.gz HMCWSYTXWMRSGK-OAHLLOKOSA-N 1 2 379.508 3.981 50 0 GHAALO O=C(CC1=CSC2=[NH+]CCN12)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000101996055 570286384 /nfs/dbraw/zinc/28/63/84/570286384.db2.gz ROTSQODIQXXLMO-AWEZNQCLSA-N 1 2 391.487 3.786 50 0 GHAALO CSCC[C@@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)n1cccc1 ZINC000575443073 570313881 /nfs/dbraw/zinc/31/38/81/570313881.db2.gz RLFDVYSNFSUHJF-CLNPQZTCSA-N 1 2 383.561 3.640 50 0 GHAALO O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000003044518 570326960 /nfs/dbraw/zinc/32/69/60/570326960.db2.gz KWJLCPSULDSZGI-UHFFFAOYSA-N 1 2 395.466 3.654 50 0 GHAALO COc1ccc2cc(C[N@H+](C)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)ccc2c1 ZINC000035399867 570350506 /nfs/dbraw/zinc/35/05/06/570350506.db2.gz HLCFZKOCNUDAGW-WAIKUNEKSA-N 1 2 395.503 3.738 50 0 GHAALO COc1ccc2cc(C[N@@H+](C)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)ccc2c1 ZINC000035399867 570350509 /nfs/dbraw/zinc/35/05/09/570350509.db2.gz HLCFZKOCNUDAGW-WAIKUNEKSA-N 1 2 395.503 3.738 50 0 GHAALO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4cccc(F)c4)CC3)no2)cc1 ZINC000023237093 570352016 /nfs/dbraw/zinc/35/20/16/570352016.db2.gz OIBNSZGPBSPRIK-UHFFFAOYSA-N 1 2 379.435 3.747 50 0 GHAALO COc1ccc(C[C@@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1OC ZINC000023283445 570353700 /nfs/dbraw/zinc/35/37/00/570353700.db2.gz KKCCNJNPHRDMCT-JRMCHAMMSA-N 1 2 380.532 3.966 50 0 GHAALO O=S(=O)(NCCCn1cc[nH+]c1-c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000090583390 570380516 /nfs/dbraw/zinc/38/05/16/570380516.db2.gz CEWHEOSESFAOQU-UHFFFAOYSA-N 1 2 395.528 3.798 50 0 GHAALO O=C(c1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024302065 570381915 /nfs/dbraw/zinc/38/19/15/570381915.db2.gz WAFHYFYGVUITOV-UHFFFAOYSA-N 1 2 391.298 3.886 50 0 GHAALO O=C(COCc1nc2ccccc2s1)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025173104 570407849 /nfs/dbraw/zinc/40/78/49/570407849.db2.gz WNUKKJFCPGLOAJ-UHFFFAOYSA-N 1 2 378.457 3.696 50 0 GHAALO Cc1ccc(Sc2ncccc2C(=O)NCC(C)(C)[NH+]2CCOCC2)c(C)c1 ZINC000025608110 570417099 /nfs/dbraw/zinc/41/70/99/570417099.db2.gz VSXOMMPUYKFXOF-UHFFFAOYSA-N 1 2 399.560 3.690 50 0 GHAALO COc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)C)cc1)[NH+]1CCOCC1 ZINC000028292023 570456764 /nfs/dbraw/zinc/45/67/64/570456764.db2.gz NADMWBUWKDBVAD-NRFANRHFSA-N 1 2 382.504 3.622 50 0 GHAALO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000028914684 570466237 /nfs/dbraw/zinc/46/62/37/570466237.db2.gz OPPQBLFGSVEFOI-HNNXBMFYSA-N 1 2 380.492 3.765 50 0 GHAALO Cc1cc(C)n2ncc(C(=O)N3CC[NH+]([C@@H](C)c4ccccc4Cl)CC3)c2n1 ZINC000030250901 570487277 /nfs/dbraw/zinc/48/72/77/570487277.db2.gz DIBQIWUTJKRNPS-INIZCTEOSA-N 1 2 397.910 3.519 50 0 GHAALO CCCCC(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(C)cc2)CC1 ZINC000006591873 570488741 /nfs/dbraw/zinc/48/87/41/570488741.db2.gz YVMHFGXOXNYIGL-UHFFFAOYSA-N 1 2 380.536 3.831 50 0 GHAALO Cc1ccc(OCCNC(=O)[C@@H](c2cc(Br)cs2)[NH+](C)C)cc1 ZINC000072306997 570524980 /nfs/dbraw/zinc/52/49/80/570524980.db2.gz QRDRRCALPIEOEH-MRXNPFEDSA-N 1 2 397.338 3.617 50 0 GHAALO CCCCOCCNC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000072308892 570529305 /nfs/dbraw/zinc/52/93/05/570529305.db2.gz DQDZBJVFNVOGTJ-HXUWFJFHSA-N 1 2 386.540 3.687 50 0 GHAALO CCCCOCCNC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000072308892 570529306 /nfs/dbraw/zinc/52/93/06/570529306.db2.gz DQDZBJVFNVOGTJ-HXUWFJFHSA-N 1 2 386.540 3.687 50 0 GHAALO COc1ccccc1C(=O)NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000022906961 570563580 /nfs/dbraw/zinc/56/35/80/570563580.db2.gz MDWRNAVDXLIHAI-HXUWFJFHSA-N 1 2 376.456 3.818 50 0 GHAALO COc1ccccc1C(=O)NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000022906961 570563582 /nfs/dbraw/zinc/56/35/82/570563582.db2.gz MDWRNAVDXLIHAI-HXUWFJFHSA-N 1 2 376.456 3.818 50 0 GHAALO O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000022913813 570571247 /nfs/dbraw/zinc/57/12/47/570571247.db2.gz QRNKFAWUJXPYLE-UHFFFAOYSA-N 1 2 384.332 3.811 50 0 GHAALO O=C(COc1ccc(F)cc1Cl)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000225711098 570607102 /nfs/dbraw/zinc/60/71/02/570607102.db2.gz KDAJYKYGWQPFBD-AWEZNQCLSA-N 1 2 391.874 3.797 50 0 GHAALO c1sc(-c2ccc3c(c2)OCO3)nc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000055060279 570680731 /nfs/dbraw/zinc/68/07/31/570680731.db2.gz RMNVVEPEROWOEP-UHFFFAOYSA-N 1 2 379.485 3.861 50 0 GHAALO C[C@@H](Cc1ccsc1)N(C)C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000176141386 570719578 /nfs/dbraw/zinc/71/95/78/570719578.db2.gz YZXALZFCIYOTCW-HNNXBMFYSA-N 1 2 395.484 3.964 50 0 GHAALO C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031472 570778583 /nfs/dbraw/zinc/77/85/83/570778583.db2.gz LJIDKAQCRUFBLE-UZLBHIALSA-N 1 2 386.927 3.839 50 0 GHAALO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000170067699 570799817 /nfs/dbraw/zinc/79/98/17/570799817.db2.gz IUGGBPYBOIHENB-SFHVURJKSA-N 1 2 387.549 3.655 50 0 GHAALO Cc1ccc2[nH]c(N3CCC(C(=O)NCCCc4ccccc4)CC3)[nH+]c2c1 ZINC000033070743 570802412 /nfs/dbraw/zinc/80/24/12/570802412.db2.gz STIVVARSYINMLR-UHFFFAOYSA-N 1 2 376.504 3.837 50 0 GHAALO Cc1ccc2[nH+]c(N3CCC(C(=O)NCCCc4ccccc4)CC3)[nH]c2c1 ZINC000033070743 570802413 /nfs/dbraw/zinc/80/24/13/570802413.db2.gz STIVVARSYINMLR-UHFFFAOYSA-N 1 2 376.504 3.837 50 0 GHAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1 ZINC000036779221 570812759 /nfs/dbraw/zinc/81/27/59/570812759.db2.gz KLVFVSLJRHQYDC-UHFFFAOYSA-N 1 2 378.476 3.719 50 0 GHAALO Cc1oncc1C[NH+]1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000238940613 570814620 /nfs/dbraw/zinc/81/46/20/570814620.db2.gz VYLPPKYNSLLPTG-UHFFFAOYSA-N 1 2 389.499 3.849 50 0 GHAALO C[C@@H](CCc1ccccc1)NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000032802422 570821025 /nfs/dbraw/zinc/82/10/25/570821025.db2.gz QALCKPJLVVLTNT-JXFKEZNVSA-N 1 2 380.467 3.969 50 0 GHAALO CSc1ccc([C@H]2Nc3ccccc3C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000012521812 570827849 /nfs/dbraw/zinc/82/78/49/570827849.db2.gz UMCGUEQTUSZABJ-NRFANRHFSA-N 1 2 397.544 3.697 50 0 GHAALO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000032851062 570854396 /nfs/dbraw/zinc/85/43/96/570854396.db2.gz IEZGYEIBMOHZGI-CYBMUJFWSA-N 1 2 382.291 3.731 50 0 GHAALO Nc1nc(CSc2[nH+]cc3ccccn32)nc(Nc2ccc(Cl)cc2)n1 ZINC000032854386 570855034 /nfs/dbraw/zinc/85/50/34/570855034.db2.gz MOFQEONHEGJQPE-UHFFFAOYSA-N 1 2 383.868 3.791 50 0 GHAALO NC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000023153817 570919757 /nfs/dbraw/zinc/91/97/57/570919757.db2.gz YBIJKXQVYZLAHN-UHFFFAOYSA-N 1 2 397.525 3.719 50 0 GHAALO NC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000023153817 570919762 /nfs/dbraw/zinc/91/97/62/570919762.db2.gz YBIJKXQVYZLAHN-UHFFFAOYSA-N 1 2 397.525 3.719 50 0 GHAALO C[C@@H]1C[C@H]1c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)n(-c2ccccc2)n1 ZINC000157944556 570920989 /nfs/dbraw/zinc/92/09/89/570920989.db2.gz YWNCEVGJDFVTRY-CRAIPNDOSA-N 1 2 384.443 3.829 50 0 GHAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1cccc(-c2ccc(C(C)=O)cn2)c1 ZINC000534676098 570923330 /nfs/dbraw/zinc/92/33/30/570923330.db2.gz JJXZVAUJESYZQP-UHFFFAOYSA-N 1 2 376.460 3.737 50 0 GHAALO CCOc1ccc(-c2nc(CC(=O)N[C@H](c3[nH+]ccn3C)C(C)C)cs2)cc1 ZINC000032931733 570946299 /nfs/dbraw/zinc/94/62/99/570946299.db2.gz QEMNXFYGPZKMSC-IBGZPJMESA-N 1 2 398.532 3.998 50 0 GHAALO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCc3ccccc3C2)C[C@H](C)O1 ZINC000047569301 570965096 /nfs/dbraw/zinc/96/50/96/570965096.db2.gz FADGCXSBFIJQAM-ROUUACIJSA-N 1 2 379.504 3.886 50 0 GHAALO COc1ccc([C@@H](CNc2nc(C(F)(F)F)cs2)[NH+]2CCOCC2)cc1 ZINC000083938019 570981196 /nfs/dbraw/zinc/98/11/96/570981196.db2.gz XMYCOZJFJFARBF-CQSZACIVSA-N 1 2 387.427 3.656 50 0 GHAALO CCCCSc1ncc(C[N@@H+]2CCC[C@@H]2c2ccc(C(N)=O)s2)cn1 ZINC000019595444 571020984 /nfs/dbraw/zinc/02/09/84/571020984.db2.gz FIXRSFDDYCYMID-CQSZACIVSA-N 1 2 376.551 3.866 50 0 GHAALO CCCCSc1ncc(C[N@H+]2CCC[C@@H]2c2ccc(C(N)=O)s2)cn1 ZINC000019595444 571020987 /nfs/dbraw/zinc/02/09/87/571020987.db2.gz FIXRSFDDYCYMID-CQSZACIVSA-N 1 2 376.551 3.866 50 0 GHAALO O=C(CSc1ccc(Cl)cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019683117 571028366 /nfs/dbraw/zinc/02/83/66/571028366.db2.gz GCAJDXKPEPPOLP-UHFFFAOYSA-N 1 2 376.909 3.903 50 0 GHAALO COc1ccc(C(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)c(F)c1F ZINC000091755678 571029397 /nfs/dbraw/zinc/02/93/97/571029397.db2.gz ACISZDBOUCZAII-UHFFFAOYSA-N 1 2 389.446 3.990 50 0 GHAALO O=C(CCc1cccs1)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000091965715 571037831 /nfs/dbraw/zinc/03/78/31/571037831.db2.gz GNBJNVJHOZCJJR-UHFFFAOYSA-N 1 2 380.517 3.727 50 0 GHAALO C[C@H](Cc1ccsc1)N(C)C(=O)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000176141400 571049712 /nfs/dbraw/zinc/04/97/12/571049712.db2.gz YZXALZFCIYOTCW-OAHLLOKOSA-N 1 2 395.484 3.964 50 0 GHAALO Fc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1 ZINC000095368202 571059459 /nfs/dbraw/zinc/05/94/59/571059459.db2.gz GGVJEVYXFHJONH-PGRDOPGGSA-N 1 2 391.494 3.707 50 0 GHAALO Fc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1 ZINC000095368202 571059463 /nfs/dbraw/zinc/05/94/63/571059463.db2.gz GGVJEVYXFHJONH-PGRDOPGGSA-N 1 2 391.494 3.707 50 0 GHAALO COc1ccc(C(=O)N2CC[C@H](Cn3c(C)c[nH+]c3-c3ccncc3)C2)cc1F ZINC000581813803 839268801 /nfs/dbraw/zinc/26/88/01/839268801.db2.gz IATMKNSUDDJWRD-INIZCTEOSA-N 1 2 394.450 3.564 50 0 GHAALO CN(c1nc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cs1)C1CC1 ZINC000079105547 848842675 /nfs/dbraw/zinc/84/26/75/848842675.db2.gz HHJNZIQUWHVHNQ-UHFFFAOYSA-N 1 2 396.560 3.799 50 0 GHAALO CN(c1nc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cs1)C1CC1 ZINC000079105547 848842683 /nfs/dbraw/zinc/84/26/83/848842683.db2.gz HHJNZIQUWHVHNQ-UHFFFAOYSA-N 1 2 396.560 3.799 50 0 GHAALO O=C(C[C@@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1)NC1CCCCCCC1 ZINC000003046225 862142901 /nfs/dbraw/zinc/14/29/01/862142901.db2.gz UNLIQQKQFHEKQF-NRFANRHFSA-N 1 2 394.519 3.633 50 0 GHAALO O=C(CSc1nc(-c2ccccc2)c[nH]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000031302435 862544823 /nfs/dbraw/zinc/54/48/23/862544823.db2.gz SJHKCXZFHTXNCR-UHFFFAOYSA-N 1 2 398.557 3.575 50 0 GHAALO O=C(Nc1ccccc1OC(F)(F)F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000040104280 856662473 /nfs/dbraw/zinc/66/24/73/856662473.db2.gz ZCALXFRUXOBOCI-UHFFFAOYSA-N 1 2 385.411 3.996 50 0 GHAALO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2nccn2CC)CC1 ZINC000011664461 856873022 /nfs/dbraw/zinc/87/30/22/856873022.db2.gz KVZMJKJTHIIRJW-UHFFFAOYSA-N 1 2 385.508 3.517 50 0 GHAALO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000004315120 862956045 /nfs/dbraw/zinc/95/60/45/862956045.db2.gz GASWFBQSSYFFMM-UHFFFAOYSA-N 1 2 376.460 3.584 50 0 GHAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(SC)cc1)[N@H+](C)CC3)OCO2 ZINC000020112446 860489319 /nfs/dbraw/zinc/48/93/19/860489319.db2.gz ZYKOXUBQWKOMLL-MRXNPFEDSA-N 1 2 385.485 3.948 50 0 biogenic GHAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(SC)cc1)[N@@H+](C)CC3)OCO2 ZINC000020112446 860489323 /nfs/dbraw/zinc/48/93/23/860489323.db2.gz ZYKOXUBQWKOMLL-MRXNPFEDSA-N 1 2 385.485 3.948 50 0 biogenic GHAALO CCOC(=O)N1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2ccncc2)CC1 ZINC000020192859 860513269 /nfs/dbraw/zinc/51/32/69/860513269.db2.gz BNGMVERCLCNOFB-NRFANRHFSA-N 1 2 378.476 3.735 50 0 GHAALO CC(C)CN(CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000095446709 860584407 /nfs/dbraw/zinc/58/44/07/860584407.db2.gz JTPWPOUIQSBTPL-UHFFFAOYSA-N 1 2 394.625 3.810 50 0 GHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)NCc4ccccc4)C3)no2)cc1 ZINC000021724671 860924538 /nfs/dbraw/zinc/92/45/38/860924538.db2.gz MXFLFGWXOFIYDR-FQEVSTJZSA-N 1 2 390.487 3.573 50 0 GHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)NCc4ccccc4)C3)no2)cc1 ZINC000021724671 860924552 /nfs/dbraw/zinc/92/45/52/860924552.db2.gz MXFLFGWXOFIYDR-FQEVSTJZSA-N 1 2 390.487 3.573 50 0 GHAALO CCc1nc2cc(NC(=O)C3([NH+]4CCOCC4)CCCCC3)ccc2n1CC ZINC000823582678 863129355 /nfs/dbraw/zinc/12/93/55/863129355.db2.gz ZEGFFKJYYJPUDG-UHFFFAOYSA-N 1 2 384.524 3.592 50 0 GHAALO Cc1cnn(CCC(=O)N2CCC[C@@H](n3c(C)c[nH+]c3-c3ccccc3)C2)c1 ZINC000575546465 866188005 /nfs/dbraw/zinc/18/80/05/866188005.db2.gz OXJUOXFXKSOQIU-HXUWFJFHSA-N 1 2 377.492 3.617 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1C[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000581807974 870038351 /nfs/dbraw/zinc/03/83/51/870038351.db2.gz UPNIUKGVNPPAEU-LJQANCHMSA-N 1 2 390.487 3.571 50 0 GHAALO Cc1c[nH+]c(-c2ccncc2)n1C[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000581808084 870038678 /nfs/dbraw/zinc/03/86/78/870038678.db2.gz PNVLCZROSNETSB-IBGZPJMESA-N 1 2 390.487 3.571 50 0 GHAALO Cc1c[nH+]c(-c2ccncc2)n1[C@@H]1CCCN(C(=O)NCCc2ccccc2)C1 ZINC000581807923 870038840 /nfs/dbraw/zinc/03/88/40/870038840.db2.gz SUJIXOBZIKXSOL-OAQYLSRUSA-N 1 2 389.503 3.843 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1CC1CCN(C(=O)c2ccc(C)nc2)CC1 ZINC000581808332 870040428 /nfs/dbraw/zinc/04/04/28/870040428.db2.gz OLHLIYRNSMJHHJ-UHFFFAOYSA-N 1 2 375.476 3.509 50 0 GHAALO COc1ccc(NC2(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)CCCCC2)cc1 ZINC000952967031 904662887 /nfs/dbraw/zinc/66/28/87/904662887.db2.gz LQBUGESUYDYUNX-IBGZPJMESA-N 1 2 396.535 3.945 50 0 GHAALO CCCOC(=O)c1ccc(OC[C@@H](O)Cn2c(CCC)[nH+]c3ccccc32)cc1 ZINC000002054352 212263512 /nfs/dbraw/zinc/26/35/12/212263512.db2.gz WQYIZIRYYRFPAL-SFHVURJKSA-N 1 2 396.487 3.996 50 0 GHAALO COCCNC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2CC2CCCCC2)C1 ZINC000034906548 212183802 /nfs/dbraw/zinc/18/38/02/212183802.db2.gz CSCWPXZVKAGZHH-IBGZPJMESA-N 1 2 398.551 3.596 50 0 GHAALO Fc1cc(Br)cc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000095980438 212154200 /nfs/dbraw/zinc/15/42/00/212154200.db2.gz QBHMDNONGWGILB-CYBMUJFWSA-N 1 2 379.277 3.963 50 0 GHAALO Fc1cc(Br)cc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000095980438 212154203 /nfs/dbraw/zinc/15/42/03/212154203.db2.gz QBHMDNONGWGILB-CYBMUJFWSA-N 1 2 379.277 3.963 50 0 GHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000008135831 221028415 /nfs/dbraw/zinc/02/84/15/221028415.db2.gz GWSLRHSLNNJION-UHFFFAOYSA-N 1 2 396.878 3.555 50 0 GHAALO COc1ccc(-c2cc(C(=O)NCCCn3cc[nH+]c3)c3ccccc3n2)cc1 ZINC000008311086 221036291 /nfs/dbraw/zinc/03/62/91/221036291.db2.gz NNSSRYZRPBMSLM-UHFFFAOYSA-N 1 2 386.455 3.927 50 0 GHAALO c1ccc(-c2nnn(C[NH+]3CCC(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000008325089 221036940 /nfs/dbraw/zinc/03/69/40/221036940.db2.gz UFSDQORUWJNMJL-UHFFFAOYSA-N 1 2 376.489 3.787 50 0 GHAALO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000008941055 221064453 /nfs/dbraw/zinc/06/44/53/221064453.db2.gz NHNFXEWURGFJBH-CYBMUJFWSA-N 1 2 382.489 3.886 50 0 GHAALO CC(=O)Nc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000008941055 221064457 /nfs/dbraw/zinc/06/44/57/221064457.db2.gz NHNFXEWURGFJBH-CYBMUJFWSA-N 1 2 382.489 3.886 50 0 GHAALO CC[NH+]1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)CC1 ZINC000009265411 221075772 /nfs/dbraw/zinc/07/57/72/221075772.db2.gz QTQBBYKXIDHAFX-UHFFFAOYSA-N 1 2 391.471 3.771 50 0 GHAALO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000009516175 221084328 /nfs/dbraw/zinc/08/43/28/221084328.db2.gz NEAYNWXNRMWAOL-ZDUSSCGKSA-N 1 2 395.488 3.839 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc(F)cc1 ZINC000010656432 221105871 /nfs/dbraw/zinc/10/58/71/221105871.db2.gz ARHOOJNBFNKDQI-SFHVURJKSA-N 1 2 375.806 3.800 50 0 GHAALO Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)[C@H]2CC=CCC2)CC1 ZINC000011821986 221129331 /nfs/dbraw/zinc/12/93/31/221129331.db2.gz FCJFBOIUHFBJJT-FQEVSTJZSA-N 1 2 390.531 3.689 50 0 GHAALO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cc(CC(C)C)n[nH]3)C2)cc1OC ZINC000012298969 221176600 /nfs/dbraw/zinc/17/66/00/221176600.db2.gz FZMVPHYBNCTNFC-QGZVFWFLSA-N 1 2 385.508 3.720 50 0 GHAALO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cc(CC(C)C)n[nH]3)C2)cc1OC ZINC000012298969 221176603 /nfs/dbraw/zinc/17/66/03/221176603.db2.gz FZMVPHYBNCTNFC-QGZVFWFLSA-N 1 2 385.508 3.720 50 0 GHAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000012308365 221180331 /nfs/dbraw/zinc/18/03/31/221180331.db2.gz QNVAURJGQZSNLB-FCHUYYIVSA-N 1 2 386.499 3.575 50 0 GHAALO C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012507771 221200095 /nfs/dbraw/zinc/20/00/95/221200095.db2.gz MLBVTUHAACWSSX-HNNXBMFYSA-N 1 2 389.484 3.811 50 0 GHAALO Cc1cc(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c(C)n1Cc1ccco1 ZINC000012525427 221200879 /nfs/dbraw/zinc/20/08/79/221200879.db2.gz USBCEWDAIXCPJQ-UHFFFAOYSA-N 1 2 388.471 3.921 50 0 GHAALO C[N@H+](CN1C(=O)NC2(CCCCC2)C1=O)C(c1ccccc1)c1ccccc1 ZINC000012819810 221237576 /nfs/dbraw/zinc/23/75/76/221237576.db2.gz VMMCGSJYTZFDHW-UHFFFAOYSA-N 1 2 377.488 3.920 50 0 GHAALO C[N@@H+](CN1C(=O)NC2(CCCCC2)C1=O)C(c1ccccc1)c1ccccc1 ZINC000012819810 221237577 /nfs/dbraw/zinc/23/75/77/221237577.db2.gz VMMCGSJYTZFDHW-UHFFFAOYSA-N 1 2 377.488 3.920 50 0 GHAALO COc1ccc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(C)nc2c1 ZINC000012855630 221239068 /nfs/dbraw/zinc/23/90/68/221239068.db2.gz LBEDJDVUTDVCIL-UHFFFAOYSA-N 1 2 375.472 3.510 50 0 GHAALO C[N@H+](Cn1nc(N2CCOCC2)n(C2CC2)c1=S)[C@H]1CCCc2ccccc21 ZINC000012922057 221246964 /nfs/dbraw/zinc/24/69/64/221246964.db2.gz MDNNUXDXJGUNMA-IBGZPJMESA-N 1 2 399.564 3.552 50 0 GHAALO C[N@@H+](Cn1nc(N2CCOCC2)n(C2CC2)c1=S)[C@H]1CCCc2ccccc21 ZINC000012922057 221246966 /nfs/dbraw/zinc/24/69/66/221246966.db2.gz MDNNUXDXJGUNMA-IBGZPJMESA-N 1 2 399.564 3.552 50 0 GHAALO Cc1ccc2nc(C)c(C(=O)N3CC[NH+](Cc4ccccc4F)CC3)cc2c1 ZINC000012912184 221245271 /nfs/dbraw/zinc/24/52/71/221245271.db2.gz FJRNJRGWYJKIFF-UHFFFAOYSA-N 1 2 377.463 3.949 50 0 GHAALO CC[C@]1(c2ccccc2)NC(=O)N(C[N@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000013098016 221260268 /nfs/dbraw/zinc/26/02/68/221260268.db2.gz FZCKJERWTPMAHW-HSZRJFAPSA-N 1 2 375.472 3.591 50 0 GHAALO CC[C@]1(c2ccccc2)NC(=O)N(C[N@@H+]2CC=C(c3ccccc3)CC2)C1=O ZINC000013098016 221260271 /nfs/dbraw/zinc/26/02/71/221260271.db2.gz FZCKJERWTPMAHW-HSZRJFAPSA-N 1 2 375.472 3.591 50 0 GHAALO O=C(CCC(=O)c1ccc(Cl)s1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000014170915 221302639 /nfs/dbraw/zinc/30/26/39/221302639.db2.gz XJSKMHDAKFHATF-UHFFFAOYSA-N 1 2 392.908 3.835 50 0 GHAALO CC(=O)N1CC[NH+](Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1 ZINC000014956213 221320416 /nfs/dbraw/zinc/32/04/16/221320416.db2.gz BYYICKQVXRHSFO-UHFFFAOYSA-N 1 2 388.515 3.820 50 0 GHAALO COc1ccc(-c2cc3ncnc(NCC(C)(C)[NH+]4CCOCC4)c3s2)cc1 ZINC000015114837 221333998 /nfs/dbraw/zinc/33/39/98/221333998.db2.gz GQFNDKJYTHEKHE-UHFFFAOYSA-N 1 2 398.532 3.890 50 0 GHAALO C[N@@H+](CC(=O)N(Cc1ccco1)C1=CCCCC1)C[C@H]1COc2ccccc2O1 ZINC000015297201 221334083 /nfs/dbraw/zinc/33/40/83/221334083.db2.gz ZRRZFUWBJXOWQB-FQEVSTJZSA-N 1 2 396.487 3.838 50 0 GHAALO C[N@H+](CC(=O)N(Cc1ccco1)C1=CCCCC1)C[C@H]1COc2ccccc2O1 ZINC000015297201 221334085 /nfs/dbraw/zinc/33/40/85/221334085.db2.gz ZRRZFUWBJXOWQB-FQEVSTJZSA-N 1 2 396.487 3.838 50 0 GHAALO CCc1ccc2oc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000015859928 221349190 /nfs/dbraw/zinc/34/91/90/221349190.db2.gz SXTPFCUQALEHHG-GOSISDBHSA-N 1 2 394.471 3.905 50 0 GHAALO O=C(c1cc(-c2ccccn2)nc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000016638085 221365976 /nfs/dbraw/zinc/36/59/76/221365976.db2.gz SGBLCZBCUZJBIN-UHFFFAOYSA-N 1 2 395.466 3.654 50 0 GHAALO Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(SCC(=O)NC3CCCC3)c12 ZINC000016623094 221365995 /nfs/dbraw/zinc/36/59/95/221365995.db2.gz WPIALBSRXHFZHV-UHFFFAOYSA-N 1 2 384.505 3.840 50 0 GHAALO C[C@H](NC(=O)C[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000017283596 221382590 /nfs/dbraw/zinc/38/25/90/221382590.db2.gz REHPJPKDYLKDSC-SFHVURJKSA-N 1 2 395.522 3.704 50 0 GHAALO C[C@@H](c1nnc(SCC(=O)NC(C)(C)C)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000016927307 221373385 /nfs/dbraw/zinc/37/33/85/221373385.db2.gz NKSPXQKQLAIDDM-LBPRGKRZSA-N 1 2 395.960 3.550 50 0 GHAALO COc1ccc(C[NH+]2CCN(Cc3nc(-c4ccccc4C)no3)CC2)cc1F ZINC000028725097 533562771 /nfs/dbraw/zinc/56/27/71/533562771.db2.gz GUHCYTXLDUOYHR-UHFFFAOYSA-N 1 2 396.466 3.511 50 0 GHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000056945665 132448167 /nfs/dbraw/zinc/44/81/67/132448167.db2.gz OCSSRWPEKGTXQE-NRFANRHFSA-N 1 2 393.462 3.712 50 0 GHAALO O=S(=O)(c1cccc(Cl)c1F)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000095961692 136182891 /nfs/dbraw/zinc/18/28/91/136182891.db2.gz YQTOBGGTJRHWEY-CQSZACIVSA-N 1 2 391.855 3.668 50 0 GHAALO CCC(=O)N1CCN(c2nc(CC(C)C)[nH+]c(C)c2Cc2cccc(C)c2)CC1 ZINC000096317495 136186396 /nfs/dbraw/zinc/18/63/96/136186396.db2.gz XZHZPPRRWRRCLA-UHFFFAOYSA-N 1 2 394.563 3.941 50 0 GHAALO Cc1[nH+]c(C(C)C)nc(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccccc1F ZINC000096317050 136186472 /nfs/dbraw/zinc/18/64/72/136186472.db2.gz PGDMCNMPBBUIOR-UHFFFAOYSA-N 1 2 396.510 3.697 50 0 GHAALO Cc1cc(N2CCN(C(=O)/C=C/c3ccc([C@@H]4C[C@H]4C)o3)CC2)nc(C(C)C)[nH+]1 ZINC000014141503 136201587 /nfs/dbraw/zinc/20/15/87/136201587.db2.gz HGIUHXVGGXTPDX-CGLHPVKESA-N 1 2 394.519 3.987 50 0 GHAALO COc1cccc([C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)c2[nH+]ccn2C)c1 ZINC000029093574 221689437 /nfs/dbraw/zinc/68/94/37/221689437.db2.gz HONOTYLHFGUJOF-HSZRJFAPSA-N 1 2 389.499 3.756 50 0 GHAALO CCc1nc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cs1 ZINC000053020565 222008318 /nfs/dbraw/zinc/00/83/18/222008318.db2.gz YLEUDHYSYUBEPP-UHFFFAOYSA-N 1 2 379.913 3.915 50 0 GHAALO COc1ccc2[nH]cc(C3=CC[N@@H+]([C@H](C)C(=O)Nc4nccs4)CC3)c2c1 ZINC000053073815 222008400 /nfs/dbraw/zinc/00/84/00/222008400.db2.gz NAJXHTSPBFJKOX-CYBMUJFWSA-N 1 2 382.489 3.749 50 0 GHAALO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H](C)C(=O)Nc4nccs4)CC3)c2c1 ZINC000053073815 222008403 /nfs/dbraw/zinc/00/84/03/222008403.db2.gz NAJXHTSPBFJKOX-CYBMUJFWSA-N 1 2 382.489 3.749 50 0 GHAALO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000053517399 222011417 /nfs/dbraw/zinc/01/14/17/222011417.db2.gz GXBPWUYMCWMTKK-UHFFFAOYSA-N 1 2 388.471 3.639 50 0 GHAALO Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CC[NH+](C)CC1)CCCC2 ZINC000055464584 222021915 /nfs/dbraw/zinc/02/19/15/222021915.db2.gz KOLIASHRLPAYPV-UHFFFAOYSA-N 1 2 397.544 3.575 50 0 GHAALO O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000058245086 222047167 /nfs/dbraw/zinc/04/71/67/222047167.db2.gz KZYYBCNHHFDYFJ-UHFFFAOYSA-N 1 2 396.863 3.615 50 0 GHAALO CSCCc1c(-c2ccccc2)[nH+]cn1CCc1nc(-c2ccncc2)n[nH]1 ZINC000065395886 222125711 /nfs/dbraw/zinc/12/57/11/222125711.db2.gz UZQPQAYLEDHCIX-UHFFFAOYSA-N 1 2 390.516 3.878 50 0 GHAALO Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(Cl)nc(Cl)c3)CC2)n1 ZINC000065487852 222130999 /nfs/dbraw/zinc/13/09/99/222130999.db2.gz OSBATKJEIYOCED-UHFFFAOYSA-N 1 2 379.291 3.943 50 0 GHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000067590529 222148840 /nfs/dbraw/zinc/14/88/40/222148840.db2.gz NADNANYQNPKCKQ-KKSFZXQISA-N 1 2 378.476 3.516 50 0 GHAALO CC(C)(C)NC(=O)C[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067689106 222155834 /nfs/dbraw/zinc/15/58/34/222155834.db2.gz HCCDGISAEBYXNX-UHFFFAOYSA-N 1 2 388.895 3.822 50 0 GHAALO CC(C)(C)NC(=O)C[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067689106 222155837 /nfs/dbraw/zinc/15/58/37/222155837.db2.gz HCCDGISAEBYXNX-UHFFFAOYSA-N 1 2 388.895 3.822 50 0 GHAALO COCc1ncc(C[N@@H+]2CCOc3c(cc(-c4cccs4)cc3OC)C2)cn1 ZINC000067934106 222167353 /nfs/dbraw/zinc/16/73/53/222167353.db2.gz DXHOSCKBNHKCHX-UHFFFAOYSA-N 1 2 397.500 3.755 50 0 GHAALO COCc1ncc(C[N@H+]2CCOc3c(cc(-c4cccs4)cc3OC)C2)cn1 ZINC000067934106 222167357 /nfs/dbraw/zinc/16/73/57/222167357.db2.gz DXHOSCKBNHKCHX-UHFFFAOYSA-N 1 2 397.500 3.755 50 0 GHAALO CN(Cc1c(F)cccc1Cl)C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000069349215 222173283 /nfs/dbraw/zinc/17/32/83/222173283.db2.gz VQCPCCKVJWIEMR-UHFFFAOYSA-N 1 2 391.874 3.975 50 0 GHAALO O=C(NCc1cn2cc(Br)ccc2[nH+]1)c1cc2ccccc2cc1O ZINC000069567787 222174689 /nfs/dbraw/zinc/17/46/89/222174689.db2.gz ZCGHGHXVGCDFHH-UHFFFAOYSA-N 1 2 396.244 3.886 50 0 GHAALO COc1cccc(-n2cc(C[N@H+](C)Cc3cnc(-c4ccco4)nc3)cn2)c1 ZINC000072154917 222213650 /nfs/dbraw/zinc/21/36/50/222213650.db2.gz ZPLBSOILCPKHLE-UHFFFAOYSA-N 1 2 375.432 3.563 50 0 GHAALO COc1cccc(-n2cc(C[N@@H+](C)Cc3cnc(-c4ccco4)nc3)cn2)c1 ZINC000072154917 222213655 /nfs/dbraw/zinc/21/36/55/222213655.db2.gz ZPLBSOILCPKHLE-UHFFFAOYSA-N 1 2 375.432 3.563 50 0 GHAALO CCc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)s1 ZINC000095503612 222337187 /nfs/dbraw/zinc/33/71/87/222337187.db2.gz MLTBOKGRNKTCQK-QGZVFWFLSA-N 1 2 380.517 3.970 50 0 GHAALO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(C)cc2)C1 ZINC000077322272 222278216 /nfs/dbraw/zinc/27/82/16/222278216.db2.gz ZAPFZFNCDKHHLJ-LJQANCHMSA-N 1 2 377.492 3.686 50 0 GHAALO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000079353304 222305773 /nfs/dbraw/zinc/30/57/73/222305773.db2.gz BOSCRVDACODZBC-ZDUSSCGKSA-N 1 2 392.272 3.502 50 0 GHAALO CN(C)c1ccc(CCC(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cc1 ZINC000095520076 222346468 /nfs/dbraw/zinc/34/64/68/222346468.db2.gz TUKZBNRQWNDKQE-HXUWFJFHSA-N 1 2 380.536 3.698 50 0 GHAALO O=C(NCC1CCCCC1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095527731 222350632 /nfs/dbraw/zinc/35/06/32/222350632.db2.gz LKJZQBCXKYDOQD-UHFFFAOYSA-N 1 2 381.524 3.796 50 0 GHAALO CCc1ccccc1C(=O)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095528543 222352554 /nfs/dbraw/zinc/35/25/54/222352554.db2.gz LKSXXURJMNFKQT-KRWDZBQOSA-N 1 2 380.517 3.970 50 0 GHAALO COc1ccc(C(=O)C[NH+]2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1 ZINC000096024440 222373407 /nfs/dbraw/zinc/37/34/07/222373407.db2.gz OJXMLFLWWCFFFP-UHFFFAOYSA-N 1 2 383.473 3.869 50 0 GHAALO CC(C)c1ccccc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000022805263 519845041 /nfs/dbraw/zinc/84/50/41/519845041.db2.gz BMDZGAYBJLAIIB-UHFFFAOYSA-N 1 2 393.531 3.501 50 0 GHAALO CCOc1cccc(-c2ccc(C(=O)NCC(C)(C)[NH+]3CCOCC3)cc2)c1 ZINC000426485989 528625536 /nfs/dbraw/zinc/62/55/36/528625536.db2.gz RMGQRFDWCXPWLB-UHFFFAOYSA-N 1 2 382.504 3.593 50 0 GHAALO C[C@@H](Oc1ccc(C(=O)NCc2cc[nH+]c(N(C)C)c2)cn1)c1ccccc1 ZINC000048299781 570233712 /nfs/dbraw/zinc/23/37/12/570233712.db2.gz GPSVONQXEKCVRQ-MRXNPFEDSA-N 1 2 376.460 3.613 50 0 GHAALO CCCOc1ccc(/C=C2/SC(=O)N(C[NH+](CC)CC)C2=O)cc1OC ZINC000020266001 570250572 /nfs/dbraw/zinc/25/05/72/570250572.db2.gz DHYYXFZNWKGSOJ-SFQUDFHCSA-N 1 2 378.494 3.820 50 0 GHAALO Cc1cccc(OC[C@@H](O)Cn2c3ccccc3n(Cc3ccccc3)c2=[NH2+])c1 ZINC000020266367 570250646 /nfs/dbraw/zinc/25/06/46/570250646.db2.gz IGVSAJYPJYGRQM-FQEVSTJZSA-N 1 2 387.483 3.719 50 0 GHAALO C[NH+](C)CC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl ZINC000001161310 570252010 /nfs/dbraw/zinc/25/20/10/570252010.db2.gz LSCNVZCYHZKEEL-UHFFFAOYSA-N 1 2 395.684 3.834 50 0 GHAALO Cc1cccc(-n2c3c(c(=O)[nH]c2=S)C[N@@H+](CCc2ccccc2)CN3)c1 ZINC000020417662 570254922 /nfs/dbraw/zinc/25/49/22/570254922.db2.gz LGZMQSCFMWYYJY-UHFFFAOYSA-N 1 2 378.501 3.631 50 0 GHAALO Cc1cccc(-n2c3c(c(=O)[nH]c2=S)C[N@H+](CCc2ccccc2)CN3)c1 ZINC000020417662 570254926 /nfs/dbraw/zinc/25/49/26/570254926.db2.gz LGZMQSCFMWYYJY-UHFFFAOYSA-N 1 2 378.501 3.631 50 0 GHAALO Cc1nc([C@H](C)[NH2+]Cc2ccc(-c3ccn(CCn4cccn4)n3)o2)cs1 ZINC000020865236 570282765 /nfs/dbraw/zinc/28/27/65/570282765.db2.gz JREMXOJJIWBKHR-AWEZNQCLSA-N 1 2 382.493 3.656 50 0 GHAALO O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1CCC[NH+]1CCOCC1 ZINC000021790253 570295876 /nfs/dbraw/zinc/29/58/76/570295876.db2.gz WTBQEYWUATXDMT-UHFFFAOYSA-N 1 2 389.908 3.501 50 0 GHAALO Cc1ccc2c(CC(=O)NC[C@@H](c3cccs3)[NH+]3CCOCC3)coc2c1C ZINC000022358303 570314169 /nfs/dbraw/zinc/31/41/69/570314169.db2.gz QYYGHPJHGXAEND-IBGZPJMESA-N 1 2 398.528 3.843 50 0 GHAALO O=C(NCc1ccc(Cl)cc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000022357637 570314323 /nfs/dbraw/zinc/31/43/23/570314323.db2.gz SKNFZOFXQJZFLG-UHFFFAOYSA-N 1 2 379.287 3.756 50 0 GHAALO CCCOc1ccc(-c2nc(C(=O)N3CC[NH+](C)CC3)cs2)c(Cl)c1 ZINC000034722915 570317845 /nfs/dbraw/zinc/31/78/45/570317845.db2.gz GAXSDNLINNISCX-UHFFFAOYSA-N 1 2 379.913 3.640 50 0 GHAALO CCOc1ccc2ncc(C(=O)c3ccc(C)cc3)c(N3CC[NH+](C)CC3)c2c1 ZINC000023643433 570329257 /nfs/dbraw/zinc/32/92/57/570329257.db2.gz GGTOUKIEDNLIQW-UHFFFAOYSA-N 1 2 389.499 3.925 50 0 GHAALO CCCc1ccc([C@H](C)NC(=O)CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000022923169 570336355 /nfs/dbraw/zinc/33/63/55/570336355.db2.gz LMWKNFHRYNLACC-IBGZPJMESA-N 1 2 397.538 3.773 50 0 GHAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)NC4CCCC4)CC3)cn2)cc1C ZINC000035403639 570351429 /nfs/dbraw/zinc/35/14/29/570351429.db2.gz JQQOAQXCXICDIB-UHFFFAOYSA-N 1 2 378.520 3.637 50 0 GHAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)NC4CCCC4)CC3)cn2)cc1C ZINC000035403639 570351430 /nfs/dbraw/zinc/35/14/30/570351430.db2.gz JQQOAQXCXICDIB-UHFFFAOYSA-N 1 2 378.520 3.637 50 0 GHAALO O[C@H](C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 ZINC000023466527 570363086 /nfs/dbraw/zinc/36/30/86/570363086.db2.gz MMKMHGULHLNONU-MRXNPFEDSA-N 1 2 385.817 3.609 50 0 GHAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000035485632 570374898 /nfs/dbraw/zinc/37/48/98/570374898.db2.gz VZDDYUWVNMROSI-AYPBNUJASA-N 1 2 390.414 3.794 50 0 GHAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000035485632 570374899 /nfs/dbraw/zinc/37/48/99/570374899.db2.gz VZDDYUWVNMROSI-AYPBNUJASA-N 1 2 390.414 3.794 50 0 GHAALO CC(=O)c1sc(=Nc2cccc(Cl)c2)n(CCC[NH+]2CCOCC2)c1C ZINC000004940156 570376257 /nfs/dbraw/zinc/37/62/57/570376257.db2.gz JFBLFIHNNKOKOX-VZCXRCSSSA-N 1 2 393.940 3.669 50 0 GHAALO C[C@@H](c1cccs1)[N@H+](C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000024114102 570379287 /nfs/dbraw/zinc/37/92/87/570379287.db2.gz VQUKPVPXSLJXSF-LBPRGKRZSA-N 1 2 388.352 3.977 50 0 GHAALO C[C@@H](c1cccs1)[N@@H+](C)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000024114102 570379291 /nfs/dbraw/zinc/37/92/91/570379291.db2.gz VQUKPVPXSLJXSF-LBPRGKRZSA-N 1 2 388.352 3.977 50 0 GHAALO O=S(=O)(Cc1ccccc1Cl)NCCCn1cc[nH+]c1-c1ccccc1 ZINC000090583383 570380527 /nfs/dbraw/zinc/38/05/27/570380527.db2.gz KQDKZLZTOMBYLW-UHFFFAOYSA-N 1 2 389.908 3.713 50 0 GHAALO Cc1ccc2c(c1)C(=O)C(=O)N2C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000024497350 570384778 /nfs/dbraw/zinc/38/47/78/570384778.db2.gz WCNJSJHYZHXAOW-HNNXBMFYSA-N 1 2 391.496 3.971 50 0 GHAALO Cc1ccc2c(c1)C(=O)C(=O)N2C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000024497350 570384782 /nfs/dbraw/zinc/38/47/82/570384782.db2.gz WCNJSJHYZHXAOW-HNNXBMFYSA-N 1 2 391.496 3.971 50 0 GHAALO CCCNC(=O)[C@H](C)Sc1nc(N)c(-c2ccc(Cl)cc2)c(CC)[nH+]1 ZINC000027070989 570431523 /nfs/dbraw/zinc/43/15/23/570431523.db2.gz RJJGCAHNGPRXTM-NSHDSACASA-N 1 2 378.929 3.948 50 0 GHAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)NCc3ccccc3)cc12 ZINC000032953882 570434440 /nfs/dbraw/zinc/43/44/40/570434440.db2.gz OFKGHVNLASRHSA-UHFFFAOYSA-N 1 2 376.460 3.702 50 0 GHAALO Cc1nn2c(nc(C)cc2N2CCN(c3cccc[nH+]3)CC2)c1-c1ccccc1 ZINC000006759140 570492518 /nfs/dbraw/zinc/49/25/18/570492518.db2.gz SGCFRUWPSZYHJH-UHFFFAOYSA-N 1 2 384.487 3.735 50 0 GHAALO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)C(=O)Nc1cccc3ncccc31)CC2 ZINC000030674915 570493537 /nfs/dbraw/zinc/49/35/37/570493537.db2.gz KHDXZWPXMTUKDO-HNNXBMFYSA-N 1 2 391.471 3.637 50 0 GHAALO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)C(=O)Nc1cccc3ncccc31)CC2 ZINC000030674915 570493539 /nfs/dbraw/zinc/49/35/39/570493539.db2.gz KHDXZWPXMTUKDO-HNNXBMFYSA-N 1 2 391.471 3.637 50 0 GHAALO Cc1cccc(C[N@@H+](Cc2nc(C(=O)NCc3cccnc3)co2)C(C)C)c1 ZINC000036083066 570529718 /nfs/dbraw/zinc/52/97/18/570529718.db2.gz MYPHGYWEKYCTPJ-UHFFFAOYSA-N 1 2 378.476 3.719 50 0 GHAALO Cc1cccc(C[N@H+](Cc2nc(C(=O)NCc3cccnc3)co2)C(C)C)c1 ZINC000036083066 570529720 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GHAALO CC(C)CC[N@@H+](C)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C ZINC000011935622 221139481 /nfs/dbraw/zinc/13/94/81/221139481.db2.gz OGPOCBADYCYUNK-UHFFFAOYSA-N 1 2 391.581 3.991 50 0 GHAALO CC(C)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CC1 ZINC000012535712 221203306 /nfs/dbraw/zinc/20/33/06/221203306.db2.gz JLIQVNQRTQOMRS-UHFFFAOYSA-N 1 2 382.508 3.596 50 0 GHAALO C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000012550080 221204639 /nfs/dbraw/zinc/20/46/39/221204639.db2.gz YPTTWNXNCWLZMD-FZKQIMNGSA-N 1 2 387.842 3.886 50 0 GHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc(Cl)cc(Cl)c1 ZINC000012926833 221247022 /nfs/dbraw/zinc/24/70/22/221247022.db2.gz IRVDSGQCOYXDJR-UHFFFAOYSA-N 1 2 379.287 3.756 50 0 GHAALO CC(C)CNC(=O)c1ccccc1NC(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000013005117 221256803 /nfs/dbraw/zinc/25/68/03/221256803.db2.gz SVTOWOIUACGCBL-HNNXBMFYSA-N 1 2 385.533 3.692 50 0 GHAALO CC(C)CNC(=O)c1ccccc1NC(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000013005117 221256805 /nfs/dbraw/zinc/25/68/05/221256805.db2.gz SVTOWOIUACGCBL-HNNXBMFYSA-N 1 2 385.533 3.692 50 0 GHAALO Cc1nonc1N1CC[NH+](Cc2nc(-c3cccc4ccccc43)oc2C)CC1 ZINC000014978414 221323539 /nfs/dbraw/zinc/32/35/39/221323539.db2.gz ANCJKJLRVANECI-UHFFFAOYSA-N 1 2 389.459 3.817 50 0 GHAALO O=C1C[N@H+](Cc2ccccn2)C[C@@H](OCc2ccccc2)CN1C1CCCCC1 ZINC000014746869 221316304 /nfs/dbraw/zinc/31/63/04/221316304.db2.gz XOZMACVOLBIJHX-HSZRJFAPSA-N 1 2 393.531 3.644 50 0 GHAALO O=C1C[N@@H+](Cc2ccccn2)C[C@@H](OCc2ccccc2)CN1C1CCCCC1 ZINC000014746869 221316305 /nfs/dbraw/zinc/31/63/05/221316305.db2.gz XOZMACVOLBIJHX-HSZRJFAPSA-N 1 2 393.531 3.644 50 0 GHAALO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000015934817 221352715 /nfs/dbraw/zinc/35/27/15/221352715.db2.gz CCTTVENJXKLYGM-PSKZRQQASA-N 1 2 377.366 3.563 50 0 GHAALO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(N(C)C)cc(C)[nH+]3)cc2)cc1 ZINC000017050982 221376029 /nfs/dbraw/zinc/37/60/29/221376029.db2.gz GUTXVQSQMGARCR-UHFFFAOYSA-N 1 2 397.504 3.704 50 0 GHAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1cc(Cl)cc(Cl)c1 ZINC000040096679 132395588 /nfs/dbraw/zinc/39/55/88/132395588.db2.gz OFZUFNYZBYQEEK-UHFFFAOYSA-N 1 2 381.263 3.547 50 0 GHAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)c1 ZINC000057270781 132450045 /nfs/dbraw/zinc/45/00/45/132450045.db2.gz VHCCSATXEZULEW-UHFFFAOYSA-N 1 2 378.354 3.671 50 0 GHAALO COc1ccccc1N1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000058380245 136155394 /nfs/dbraw/zinc/15/53/94/136155394.db2.gz RBZVMDSNUOTCTO-SFHVURJKSA-N 1 2 380.410 3.570 50 0 GHAALO O=C(CC1=CSC2=[NH+]CCCN12)N1CCN(c2ccc3ccccc3c2)CC1 ZINC000101958696 136189922 /nfs/dbraw/zinc/18/99/22/136189922.db2.gz QQVTVPRSLNIRCJ-UHFFFAOYSA-N 1 2 392.528 3.528 50 0 GHAALO C[C@@H](NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC000013061333 136200935 /nfs/dbraw/zinc/20/09/35/136200935.db2.gz KNRNBEPTILIRJY-OAHLLOKOSA-N 1 2 392.330 3.993 50 0 GHAALO Cc1ccc2[nH+]c(CNC(=O)c3ccccc3C(=O)c3cccs3)cn2c1 ZINC000057268312 222029336 /nfs/dbraw/zinc/02/93/36/222029336.db2.gz HMMDBLNWWPBGOQ-UHFFFAOYSA-N 1 2 375.453 3.865 50 0 GHAALO C[N@H+](CC(=O)c1ccc2c(c1)NC(=O)CO2)Cc1ccc(Cl)c(Cl)c1 ZINC000057318483 222029526 /nfs/dbraw/zinc/02/95/26/222029526.db2.gz CHFOETRCQQCPQE-UHFFFAOYSA-N 1 2 379.243 3.639 50 0 GHAALO C[N@@H+](CC(=O)c1ccc2c(c1)NC(=O)CO2)Cc1ccc(Cl)c(Cl)c1 ZINC000057318483 222029530 /nfs/dbraw/zinc/02/95/30/222029530.db2.gz CHFOETRCQQCPQE-UHFFFAOYSA-N 1 2 379.243 3.639 50 0 GHAALO O=C(NC1CC1)[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1ccc(F)cc1 ZINC000057460506 222033737 /nfs/dbraw/zinc/03/37/37/222033737.db2.gz CCUFCYZFGOZLBW-QGZVFWFLSA-N 1 2 382.357 3.834 50 0 GHAALO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C/c2c(Cl)nc3ccccn32)c1C ZINC000058958444 222055932 /nfs/dbraw/zinc/05/59/32/222055932.db2.gz NFXYANMDGVPLTB-CMDGGOBGSA-N 1 2 384.867 3.680 50 0 GHAALO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]Cc1nnc2ccccn21 ZINC000061029245 222061679 /nfs/dbraw/zinc/06/16/79/222061679.db2.gz YWCOAQAOXZEHMG-UHFFFAOYSA-N 1 2 380.883 3.783 50 0 GHAALO Fc1ccccc1[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC2(CC1)OCCO2 ZINC000063648884 222067103 /nfs/dbraw/zinc/06/71/03/222067103.db2.gz SANWUWBGYOVRQH-LJQANCHMSA-N 1 2 395.434 3.804 50 0 GHAALO C[C@H](C(=O)NC1CC1)[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067676151 222153870 /nfs/dbraw/zinc/15/38/70/222153870.db2.gz WMZFAFIFNARPQM-CYBMUJFWSA-N 1 2 386.879 3.574 50 0 GHAALO C[C@H](C(=O)NC1CC1)[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067676151 222153871 /nfs/dbraw/zinc/15/38/71/222153871.db2.gz WMZFAFIFNARPQM-CYBMUJFWSA-N 1 2 386.879 3.574 50 0 GHAALO CC[C@H](C)NC(=O)C[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067786314 222160008 /nfs/dbraw/zinc/16/00/08/222160008.db2.gz SJTNGDDFBVFHTC-AWEZNQCLSA-N 1 2 388.895 3.822 50 0 GHAALO CC[C@H](C)NC(=O)C[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067786314 222160012 /nfs/dbraw/zinc/16/00/12/222160012.db2.gz SJTNGDDFBVFHTC-AWEZNQCLSA-N 1 2 388.895 3.822 50 0 GHAALO Cc1ccc(-c2nnc(C[N@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)o2)n1C ZINC000067868526 222162592 /nfs/dbraw/zinc/16/25/92/222162592.db2.gz KDGDHHCUTNAWMN-UHFFFAOYSA-N 1 2 380.427 3.545 50 0 GHAALO Cc1ccc(-c2nnc(C[N@@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)o2)n1C ZINC000067868526 222162594 /nfs/dbraw/zinc/16/25/94/222162594.db2.gz KDGDHHCUTNAWMN-UHFFFAOYSA-N 1 2 380.427 3.545 50 0 GHAALO CC(C)NC(=O)[C@H](C)[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067935035 222169154 /nfs/dbraw/zinc/16/91/54/222169154.db2.gz XGMYFSDXEOLGET-AWEZNQCLSA-N 1 2 388.895 3.820 50 0 GHAALO CC(C)NC(=O)[C@H](C)[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067935035 222169158 /nfs/dbraw/zinc/16/91/58/222169158.db2.gz XGMYFSDXEOLGET-AWEZNQCLSA-N 1 2 388.895 3.820 50 0 GHAALO CC(C)[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc2c(c1)OCCO2 ZINC000069536610 222174346 /nfs/dbraw/zinc/17/43/46/222174346.db2.gz MUBCERCAFGOCAO-JOCHJYFZSA-N 1 2 391.471 3.830 50 0 GHAALO CCc1nnc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)o1 ZINC000069776637 222174468 /nfs/dbraw/zinc/17/44/68/222174468.db2.gz WNKRMSYTTLUHCP-FQEVSTJZSA-N 1 2 396.535 3.929 50 0 GHAALO COc1cc[nH+]c(CN2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1OC ZINC000071440101 222186313 /nfs/dbraw/zinc/18/63/13/222186313.db2.gz YTGGHAFIRLORKU-KRWDZBQOSA-N 1 2 383.275 3.979 50 0 GHAALO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000072422217 222257643 /nfs/dbraw/zinc/25/76/43/222257643.db2.gz XLYPMYPOEPCDDO-IBGZPJMESA-N 1 2 398.869 3.782 50 0 GHAALO NC(=O)[C@@H]1CCC[N@H+]1Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000072422217 222257645 /nfs/dbraw/zinc/25/76/45/222257645.db2.gz XLYPMYPOEPCDDO-IBGZPJMESA-N 1 2 398.869 3.782 50 0 GHAALO O=C1CC2(CN1Cc1ccccc1)CC[NH+](Cc1noc(C3CCCC3)n1)CC2 ZINC000095518521 222344980 /nfs/dbraw/zinc/34/49/80/222344980.db2.gz QUZVNOBTECNPGC-UHFFFAOYSA-N 1 2 394.519 3.742 50 0 GHAALO Cc1cc(C)c(NC(=O)N(CCCn2cc[nH+]c2)Cc2cccnc2)c(C)n1 ZINC000095506244 222337909 /nfs/dbraw/zinc/33/79/09/222337909.db2.gz AGRHQLZCHVUYSH-UHFFFAOYSA-N 1 2 378.480 3.723 50 0 GHAALO Cc1cccn2cc(-c3cccc(NC(=O)c4ccc(N5CCCC5)nn4)c3)[nH+]c12 ZINC000077099331 222273212 /nfs/dbraw/zinc/27/32/12/222273212.db2.gz AJZWJYRCFPPLFP-UHFFFAOYSA-N 1 2 398.470 3.952 50 0 GHAALO O=C(C[NH+]1CCC(Nc2nc(C(F)(F)F)cs2)CC1)Nc1ccccc1 ZINC000079109329 222303126 /nfs/dbraw/zinc/30/31/26/222303126.db2.gz JVFYXDPPAYNQSA-UHFFFAOYSA-N 1 2 384.427 3.677 50 0 GHAALO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)ccc1F ZINC000095519044 222344697 /nfs/dbraw/zinc/34/46/97/222344697.db2.gz NECNBBVIBOGHQW-MRXNPFEDSA-N 1 2 384.480 3.855 50 0 GHAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2oc3cc(C)ccc3c2C)C1 ZINC000095519809 222346947 /nfs/dbraw/zinc/34/69/47/222346947.db2.gz MDXXUZPAWKUYCD-QGZVFWFLSA-N 1 2 381.476 3.912 50 0 GHAALO COc1ccc2sc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cn3)c(C)c2c1 ZINC000095976315 222368078 /nfs/dbraw/zinc/36/80/78/222368078.db2.gz MZFUYUGOBVJIGV-UHFFFAOYSA-N 1 2 397.500 3.698 50 0 GHAALO COc1ccccc1N1CC[NH+](Cc2cc(Cl)c(O)c3ncccc23)CC1 ZINC000019830962 570223361 /nfs/dbraw/zinc/22/33/61/570223361.db2.gz OKXDBCQHYZUIMW-UHFFFAOYSA-N 1 2 383.879 3.925 50 0 GHAALO CC(C)=CC[C@H]1[C@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1(C)C ZINC000020161438 570245506 /nfs/dbraw/zinc/24/55/06/570245506.db2.gz IIZCTMQLLDIIEZ-GHTZIAJQSA-N 1 2 384.520 3.688 50 0 GHAALO O=C(CC1=CSC2=[NH+]CCCN12)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000101909980 570286079 /nfs/dbraw/zinc/28/60/79/570286079.db2.gz FVDHJWBNMASOAG-HNNXBMFYSA-N 1 2 384.530 4.000 50 0 GHAALO C[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000022641040 570324156 /nfs/dbraw/zinc/32/41/56/570324156.db2.gz JEGHFTNTXBMRAJ-OAHLLOKOSA-N 1 2 398.450 3.773 50 0 GHAALO O=C(CSc1nc2ccccc2s1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575612262 570336875 /nfs/dbraw/zinc/33/68/75/570336875.db2.gz KLXJVGJZHYYEMV-OAHLLOKOSA-N 1 2 385.514 3.853 50 0 GHAALO COc1ccc2[nH]cc(C(=O)C[N@@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C)c2c1 ZINC000035361919 570344658 /nfs/dbraw/zinc/34/46/58/570344658.db2.gz PQYOHRVYXJEZLV-AWEZNQCLSA-N 1 2 394.471 3.996 50 0 biogenic GHAALO COc1ccc2[nH]cc(C(=O)C[N@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C)c2c1 ZINC000035361919 570344661 /nfs/dbraw/zinc/34/46/61/570344661.db2.gz PQYOHRVYXJEZLV-AWEZNQCLSA-N 1 2 394.471 3.996 50 0 biogenic GHAALO C[C@H](NC(=O)C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)c1ccccc1 ZINC000035404370 570351095 /nfs/dbraw/zinc/35/10/95/570351095.db2.gz ACTKCGBHAXLEKC-IBGZPJMESA-N 1 2 386.499 3.839 50 0 GHAALO C[C@H](NC(=O)C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)c1ccccc1 ZINC000035404370 570351101 /nfs/dbraw/zinc/35/11/01/570351101.db2.gz ACTKCGBHAXLEKC-IBGZPJMESA-N 1 2 386.499 3.839 50 0 GHAALO CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)C[NH+]2CCCCC2)s1 ZINC000004334302 570368672 /nfs/dbraw/zinc/36/86/72/570368672.db2.gz ODZRGFDFRMGEBX-UHFFFAOYSA-N 1 2 386.517 3.975 50 0 GHAALO Cc1ccnn1-c1ccc(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000023791029 570372847 /nfs/dbraw/zinc/37/28/47/570372847.db2.gz XPGSVFDKJCPVSX-UHFFFAOYSA-N 1 2 394.906 3.792 50 0 GHAALO Cc1cccn2cc(-c3ccc(NC(=O)CNC(=O)C4CCCC4)cc3)[nH+]c12 ZINC000053837751 570381623 /nfs/dbraw/zinc/38/16/23/570381623.db2.gz FVLKJOQMDYDSKY-UHFFFAOYSA-N 1 2 376.460 3.555 50 0 GHAALO CC(C)(CNC(=O)Cn1c(-c2ccccc2)cc2ccccc21)[NH+]1CCOCC1 ZINC000024574584 570386263 /nfs/dbraw/zinc/38/62/63/570386263.db2.gz BQTROYFXOJEZIV-UHFFFAOYSA-N 1 2 391.515 3.535 50 0 GHAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000028914683 570466170 /nfs/dbraw/zinc/46/61/70/570466170.db2.gz OPPQBLFGSVEFOI-OAHLLOKOSA-N 1 2 380.492 3.765 50 0 GHAALO COc1cc(C(F)(F)F)ncc1NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000252491752 570475750 /nfs/dbraw/zinc/47/57/50/570475750.db2.gz LSFGEORRSBKQPV-UHFFFAOYSA-N 1 2 393.369 3.589 50 0 GHAALO O=C(c1ccccc1C(F)(F)F)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000029929095 570482927 /nfs/dbraw/zinc/48/29/27/570482927.db2.gz IXVFSZMJCKPBQU-UHFFFAOYSA-N 1 2 390.405 3.598 50 0 GHAALO O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024300228 570489279 /nfs/dbraw/zinc/48/92/79/570489279.db2.gz GCJXNUBIIPNZGV-UHFFFAOYSA-N 1 2 391.298 3.886 50 0 GHAALO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000072310610 570537072 /nfs/dbraw/zinc/53/70/72/570537072.db2.gz BXBFBOXCDAQKED-SORZYCEUSA-N 1 2 386.561 3.911 50 0 GHAALO Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1C ZINC000072310610 570537077 /nfs/dbraw/zinc/53/70/77/570537077.db2.gz BXBFBOXCDAQKED-SORZYCEUSA-N 1 2 386.561 3.911 50 0 GHAALO Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)n1 ZINC000150033021 570545095 /nfs/dbraw/zinc/54/50/95/570545095.db2.gz GIHFHKMBDGDONH-UHFFFAOYSA-N 1 2 385.471 3.664 50 0 GHAALO Cc1cccc(Cc2c(C)[nH+]c(C)nc2N2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000006838889 570639818 /nfs/dbraw/zinc/63/98/18/570639818.db2.gz WASJFZMLRXTMLT-UHFFFAOYSA-N 1 2 380.536 3.687 50 0 GHAALO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036386939 570658405 /nfs/dbraw/zinc/65/84/05/570658405.db2.gz GJIDXFIGYOKGMM-IYOUNJFTSA-N 1 2 384.526 3.666 50 0 GHAALO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036386939 570658406 /nfs/dbraw/zinc/65/84/06/570658406.db2.gz GJIDXFIGYOKGMM-IYOUNJFTSA-N 1 2 384.526 3.666 50 0 GHAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccc4nc(Cl)ccc4c3)CC2)cc1 ZINC000036390679 570672516 /nfs/dbraw/zinc/67/25/16/570672516.db2.gz PKMWIXWBBIAKSE-UHFFFAOYSA-N 1 2 395.890 3.855 50 0 GHAALO Cc1c(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cnn1-c1ccccc1C ZINC000036392169 570675402 /nfs/dbraw/zinc/67/54/02/570675402.db2.gz RHICEIIBOVVGFF-UHFFFAOYSA-N 1 2 380.517 3.509 50 0 GHAALO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057291865 570701733 /nfs/dbraw/zinc/70/17/33/570701733.db2.gz CISCZAXCUDNCOQ-OAHLLOKOSA-N 1 2 383.458 3.665 50 0 GHAALO O=C(CC1CCCC1)N1CC[C@@]2(C1)[NH2+]Cc1ccccc1NC2=NC1CCCC1 ZINC000065265902 570768801 /nfs/dbraw/zinc/76/88/01/570768801.db2.gz JVCNUXKXMKEYII-DEOSSOPVSA-N 1 2 394.563 3.903 50 0 GHAALO COc1cccc(CNC(=O)CSc2[nH+][nH]cc3c4cc(F)ccc4nc2-3)c1 ZINC000032752911 570792178 /nfs/dbraw/zinc/79/21/78/570792178.db2.gz YTSKWGYFXLIWSK-UHFFFAOYSA-N 1 2 396.447 3.667 50 0 GHAALO Cc1ccc2[nH]c(N3CCC[C@H](C(=O)NCCc4ccccc4C)C3)[nH+]c2c1 ZINC000033072202 570803697 /nfs/dbraw/zinc/80/36/97/570803697.db2.gz KGMBGZVNKJDFJU-IBGZPJMESA-N 1 2 376.504 3.755 50 0 GHAALO Cc1ccc2[nH+]c(N3CCC[C@H](C(=O)NCCc4ccccc4C)C3)[nH]c2c1 ZINC000033072202 570803701 /nfs/dbraw/zinc/80/37/01/570803701.db2.gz KGMBGZVNKJDFJU-IBGZPJMESA-N 1 2 376.504 3.755 50 0 GHAALO COc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)c1 ZINC000007244024 570818865 /nfs/dbraw/zinc/81/88/65/570818865.db2.gz IKBPWGPVEFAGDV-SFHVURJKSA-N 1 2 381.520 3.968 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)NCCSc1ccccc1)c1ccc(F)cc1 ZINC000032802338 570821180 /nfs/dbraw/zinc/82/11/80/570821180.db2.gz UHBLWXFGCYSZKT-SFHVURJKSA-N 1 2 384.480 3.740 50 0 GHAALO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000007267728 570822599 /nfs/dbraw/zinc/82/25/99/570822599.db2.gz AVRRNJAPKPGABM-GOSISDBHSA-N 1 2 389.499 3.757 50 0 GHAALO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000007267728 570822601 /nfs/dbraw/zinc/82/26/01/570822601.db2.gz AVRRNJAPKPGABM-GOSISDBHSA-N 1 2 389.499 3.757 50 0 GHAALO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(Cn4cccn4)cc3)n2)CC1 ZINC000014226721 570832277 /nfs/dbraw/zinc/83/22/77/570832277.db2.gz UUVMNARNARUQOW-UHFFFAOYSA-N 1 2 395.532 3.872 50 0 GHAALO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1csc(-c2cccs2)n1 ZINC000032823473 570838213 /nfs/dbraw/zinc/83/82/13/570838213.db2.gz WUTVOPJAPZTWFK-MRXNPFEDSA-N 1 2 399.541 3.675 50 0 GHAALO O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cn2ccccc2[nH+]1 ZINC000012540328 570840721 /nfs/dbraw/zinc/84/07/21/570840721.db2.gz KKIPBLFBDAMFMX-DEOSSOPVSA-N 1 2 396.450 3.524 50 0 GHAALO C[C@@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012547614 570849380 /nfs/dbraw/zinc/84/93/80/570849380.db2.gz WDPCSMVCMZHRMM-PBHICJAKSA-N 1 2 381.863 3.954 50 0 GHAALO COc1ccc([C@@H](NC(=O)c2ccc(-n3cccc3)cc2)c2[nH+]ccn2C)cc1 ZINC000012548355 570850260 /nfs/dbraw/zinc/85/02/60/570850260.db2.gz ZVFSLAFDZOMURX-OAQYLSRUSA-N 1 2 386.455 3.739 50 0 GHAALO CCc1c[nH+]c(C)nc1N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000072146153 570871563 /nfs/dbraw/zinc/87/15/63/570871563.db2.gz SZGRZQTUBJSUNX-OAHLLOKOSA-N 1 2 378.398 3.579 50 0 GHAALO CC(C)c1noc([C@@H]2CCCN(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000299781465 570895321 /nfs/dbraw/zinc/89/53/21/570895321.db2.gz LBFTUAQNSVKEOD-OAHLLOKOSA-N 1 2 380.452 3.790 50 0 GHAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1Br ZINC000019683091 570929235 /nfs/dbraw/zinc/92/92/35/570929235.db2.gz QUSIQKQTEHAYJF-UHFFFAOYSA-N 1 2 375.266 3.534 50 0 GHAALO C[C@@H]1CN(c2ccc(CNC(=O)CCc3ccccc3Cl)c[nH+]2)C[C@H](C)O1 ZINC000032930463 570943998 /nfs/dbraw/zinc/94/39/98/570943998.db2.gz FMKSEMAJMAUTSI-IYBDPMFKSA-N 1 2 387.911 3.598 50 0 GHAALO CC[N@@H+]1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000005093859 570952609 /nfs/dbraw/zinc/95/26/09/570952609.db2.gz QBLKUVUKIZEWAL-UHFFFAOYSA-N 1 2 378.885 3.522 50 0 GHAALO CC[N@H+]1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000005093859 570952614 /nfs/dbraw/zinc/95/26/14/570952614.db2.gz QBLKUVUKIZEWAL-UHFFFAOYSA-N 1 2 378.885 3.522 50 0 GHAALO CC(C)n1cccc1C(=O)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091289332 571002334 /nfs/dbraw/zinc/00/23/34/571002334.db2.gz NZESHPRPVLLUQP-IBGZPJMESA-N 1 2 377.492 3.729 50 0 GHAALO CC(C)Cn1c[nH+]cc1CN1C[C@@](C)(Cc2ccc3c(c2)OCO3)CCC1=O ZINC000091625385 571019645 /nfs/dbraw/zinc/01/96/45/571019645.db2.gz YGGNLZYGNSQOGI-JOCHJYFZSA-N 1 2 383.492 3.639 50 0 GHAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc4cc(C)ccc4nc3C)CC2)cc1 ZINC000012778694 571031927 /nfs/dbraw/zinc/03/19/27/571031927.db2.gz DMMRWXWWVSMAHK-UHFFFAOYSA-N 1 2 389.499 3.818 50 0 GHAALO Clc1cc2c(cc1C[N@@H+]1C[C@H]3CC[C@@H]1CN(Cc1cccnc1)C3)OCO2 ZINC000095362456 571056144 /nfs/dbraw/zinc/05/61/44/571056144.db2.gz RFUPZXIASBIMFF-FUHWJXTLSA-N 1 2 385.895 3.560 50 0 GHAALO Clc1cc2c(cc1C[N@H+]1C[C@H]3CC[C@@H]1CN(Cc1cccnc1)C3)OCO2 ZINC000095362456 571056148 /nfs/dbraw/zinc/05/61/48/571056148.db2.gz RFUPZXIASBIMFF-FUHWJXTLSA-N 1 2 385.895 3.560 50 0 GHAALO Cc1cccc(-n2cc(CN3C[C@H]4CC[C@@H]3C[N@H+](Cc3cscn3)C4)cn2)c1 ZINC000095391379 571073091 /nfs/dbraw/zinc/07/30/91/571073091.db2.gz MTBUHCVWGYXVNN-PGRDOPGGSA-N 1 2 393.560 3.734 50 0 GHAALO Cc1cccc(-n2cc(CN3C[C@H]4CC[C@@H]3C[N@@H+](Cc3cscn3)C4)cn2)c1 ZINC000095391379 571073093 /nfs/dbraw/zinc/07/30/93/571073093.db2.gz MTBUHCVWGYXVNN-PGRDOPGGSA-N 1 2 393.560 3.734 50 0 GHAALO Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000555525236 838384642 /nfs/dbraw/zinc/38/46/42/838384642.db2.gz ZRHMOFOWEABEFY-UHFFFAOYSA-N 1 2 391.431 3.546 50 0 GHAALO Cc1c[nH+]c(-c2cccnc2)n1CC1CCN(C(=O)c2cnccc2C)CC1 ZINC000257190042 838936440 /nfs/dbraw/zinc/93/64/40/838936440.db2.gz KXNDTPQMZRCHEW-UHFFFAOYSA-N 1 2 375.476 3.509 50 0 GHAALO Cn1cc(Nc2cccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3cccnc3)c2)cn1 ZINC000078968627 839936295 /nfs/dbraw/zinc/93/62/95/839936295.db2.gz APWKNWUHHBWLRT-NRFANRHFSA-N 1 2 390.491 3.552 50 0 GHAALO Cn1cc(Nc2cccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3cccnc3)c2)cn1 ZINC000078968627 839936300 /nfs/dbraw/zinc/93/63/00/839936300.db2.gz APWKNWUHHBWLRT-NRFANRHFSA-N 1 2 390.491 3.552 50 0 GHAALO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(-c2cncnc2)cc1F ZINC000185710227 861221284 /nfs/dbraw/zinc/22/12/84/861221284.db2.gz JQEMXLWEIKMQLL-UHFFFAOYSA-N 1 2 391.450 3.598 50 0 GHAALO CC[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccccn1 ZINC000079058915 846009886 /nfs/dbraw/zinc/00/98/86/846009886.db2.gz CMPAXFIUMCFION-UHFFFAOYSA-N 1 2 375.476 3.605 50 0 GHAALO CC[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccccn1 ZINC000079058915 846009892 /nfs/dbraw/zinc/00/98/92/846009892.db2.gz CMPAXFIUMCFION-UHFFFAOYSA-N 1 2 375.476 3.605 50 0 GHAALO C[C@@H]1CCC[C@H](c2ccccc2)[N@@H+]1Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000079058994 846029587 /nfs/dbraw/zinc/02/95/87/846029587.db2.gz ZKODRGLTEMAKPS-GDBMZVCRSA-N 1 2 393.516 3.758 50 0 GHAALO C[C@@H]1CCC[C@H](c2ccccc2)[N@H+]1Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000079058994 846029593 /nfs/dbraw/zinc/02/95/93/846029593.db2.gz ZKODRGLTEMAKPS-GDBMZVCRSA-N 1 2 393.516 3.758 50 0 GHAALO O=C(CSc1ccc2c(c1)CCC2)NCc1ccccc1Cn1cc[nH+]c1 ZINC000040023586 856632521 /nfs/dbraw/zinc/63/25/21/856632521.db2.gz DFVBVCAYHYQPBY-UHFFFAOYSA-N 1 2 377.513 3.829 50 0 GHAALO COc1ccc(C(=O)NC[C@@H](c2cccnc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020486067 860585342 /nfs/dbraw/zinc/58/53/42/860585342.db2.gz QDDHSCVJGJXHAX-QHCPKHFHSA-N 1 2 387.483 3.620 50 0 GHAALO COc1ccc(C(=O)NC[C@@H](c2cccnc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000020486067 860585348 /nfs/dbraw/zinc/58/53/48/860585348.db2.gz QDDHSCVJGJXHAX-QHCPKHFHSA-N 1 2 387.483 3.620 50 0 GHAALO COC(=O)C[C@@H](c1ccc(Br)cc1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096232391 860817209 /nfs/dbraw/zinc/81/72/09/860817209.db2.gz UHRXOBOBGKOQSN-NSHDSACASA-N 1 2 393.262 3.854 50 0 GHAALO CC(C)c1nc(C2([NH2+]C[C@H](O)COc3ccc(Cl)cc3)CCCC2)no1 ZINC000174242944 865614516 /nfs/dbraw/zinc/61/45/16/865614516.db2.gz LGCNJVJVTRYWQL-HNNXBMFYSA-N 1 2 379.888 3.645 50 0 GHAALO O=C(c1cc(-c2ccccn2)ccc1Cl)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000179069459 866112030 /nfs/dbraw/zinc/11/20/30/866112030.db2.gz XQFMLVSYTRHZEO-SFHVURJKSA-N 1 2 399.922 3.729 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1[C@@H]1CCN(C(=O)CCc2c(C)noc2C)C1 ZINC000575548046 866187589 /nfs/dbraw/zinc/18/75/89/866187589.db2.gz GGBRWHBWDUGBEK-LJQANCHMSA-N 1 2 378.476 3.870 50 0 GHAALO CCCS(=O)(=O)N1CCC(Cc2ccc(COc3cc[nH+]cc3)cc2)CC1 ZINC000575552309 866192623 /nfs/dbraw/zinc/19/26/23/866192623.db2.gz PUDNYRPSLRUSIZ-UHFFFAOYSA-N 1 2 388.533 3.655 50 0 GHAALO COc1ccc(C(=O)N2CCC[C@@H](n3c(C)c[nH+]c3-c3cccnc3)C2)cc1F ZINC000581805822 870027041 /nfs/dbraw/zinc/02/70/41/870027041.db2.gz GIAGGYSGHNMRLT-GOSISDBHSA-N 1 2 394.450 3.879 50 0 GHAALO Cc1ccc([C@H]2NC(=[NH2+])SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000002219245 883087196 /nfs/dbraw/zinc/08/71/96/883087196.db2.gz OZWAZPXHPPERRJ-OAHLLOKOSA-N 1 2 383.860 3.579 50 0 GHAALO Cc1cc(N2CCN(C(=O)/C=C/c3cccc(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000032808918 888934823 /nfs/dbraw/zinc/93/48/23/888934823.db2.gz FMRQEVOEOPMFNG-BQYQJAHWSA-N 1 2 384.911 3.924 50 0 GHAALO COc1ccc2c(c1)[C@H]([NH2+]Cc1nnc(-c3ccncc3F)s1)CCCO2 ZINC000366892195 890761702 /nfs/dbraw/zinc/76/17/02/890761702.db2.gz ZBEIEWRKZJTUKN-MRXNPFEDSA-N 1 2 386.452 3.751 50 0 GHAALO O=C(NCc1cc(-c2ccco2)on1)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000952965833 904643972 /nfs/dbraw/zinc/64/39/72/904643972.db2.gz UMZAFPMRCGRWIB-FQEVSTJZSA-N 1 2 383.423 3.917 50 0 GHAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CCCc2c(O)cccc21 ZINC000191091686 906602172 /nfs/dbraw/zinc/60/21/72/906602172.db2.gz JTEDMTKXYICBDK-FQEVSTJZSA-N 1 2 376.460 3.514 50 0 GHAALO Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(C[N@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000245326124 231040644 /nfs/dbraw/zinc/04/06/44/231040644.db2.gz JESCEGBCQYUTEP-KOSHJBKYSA-N 1 2 392.499 3.634 50 0 GHAALO Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(C[N@@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000245326124 231040648 /nfs/dbraw/zinc/04/06/48/231040648.db2.gz JESCEGBCQYUTEP-KOSHJBKYSA-N 1 2 392.499 3.634 50 0 GHAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCOC[C@@H]4CC)csc3C2)nc1 ZINC000426431115 529643223 /nfs/dbraw/zinc/64/32/23/529643223.db2.gz MJLQGWKMUCVMFV-SFHVURJKSA-N 1 2 399.560 3.515 50 0 GHAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCOC[C@@H]4CC)csc3C2)nc1 ZINC000426431115 529643225 /nfs/dbraw/zinc/64/32/25/529643225.db2.gz MJLQGWKMUCVMFV-SFHVURJKSA-N 1 2 399.560 3.515 50 0 GHAALO Cc1cccc(-n2ncc3c2nc[nH+]c3N2CCN(c3ccccc3F)CC2)c1 ZINC000001099036 212216131 /nfs/dbraw/zinc/21/61/31/212216131.db2.gz WCHZWSLXQIRPIR-UHFFFAOYSA-N 1 2 388.450 3.590 50 0 GHAALO O=C1S/C(=C\c2ccccc2Br)C(=O)N1C[NH+]1CCCCC1 ZINC000334163487 212108652 /nfs/dbraw/zinc/10/86/52/212108652.db2.gz UPYAEEISORZROO-UVTDQMKNSA-N 1 2 381.295 3.929 50 0 GHAALO O=c1c2ccccc2nc(SCc2cn3ccccc3[nH+]2)n1Cc1ccco1 ZINC000002802648 220569000 /nfs/dbraw/zinc/56/90/00/220569000.db2.gz QNECOXJNIWTWEN-UHFFFAOYSA-N 1 2 388.452 3.978 50 0 GHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2CCCCCC2)c(C)c1 ZINC000004341731 220708125 /nfs/dbraw/zinc/70/81/25/220708125.db2.gz APGZOSWXWNWZTM-UHFFFAOYSA-N 1 2 395.532 3.927 50 0 GHAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000007878821 221014204 /nfs/dbraw/zinc/01/42/04/221014204.db2.gz RXJBKWILEPVPJK-HNNXBMFYSA-N 1 2 397.544 3.978 50 0 GHAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000007878821 221014207 /nfs/dbraw/zinc/01/42/07/221014207.db2.gz RXJBKWILEPVPJK-HNNXBMFYSA-N 1 2 397.544 3.978 50 0 GHAALO NC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)sc2c1CCCC2 ZINC000008036335 221024665 /nfs/dbraw/zinc/02/46/65/221024665.db2.gz RLATZDRCULHHLQ-ZDUSSCGKSA-N 1 2 389.546 3.563 50 0 GHAALO NC(=O)c1c(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)sc2c1CCCC2 ZINC000008036335 221024667 /nfs/dbraw/zinc/02/46/67/221024667.db2.gz RLATZDRCULHHLQ-ZDUSSCGKSA-N 1 2 389.546 3.563 50 0 GHAALO NC(=O)c1c(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)sc2c1CCCC2 ZINC000008036336 221025245 /nfs/dbraw/zinc/02/52/45/221025245.db2.gz RLATZDRCULHHLQ-CYBMUJFWSA-N 1 2 389.546 3.563 50 0 GHAALO NC(=O)c1c(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)sc2c1CCCC2 ZINC000008036336 221025247 /nfs/dbraw/zinc/02/52/47/221025247.db2.gz RLATZDRCULHHLQ-CYBMUJFWSA-N 1 2 389.546 3.563 50 0 GHAALO C[C@H](NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1cccs1 ZINC000008132925 221027919 /nfs/dbraw/zinc/02/79/19/221027919.db2.gz HDBKCCWJUAMPQC-ZDUSSCGKSA-N 1 2 395.513 3.847 50 0 GHAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)NC(=O)NC1CCCCC1 ZINC000009591207 221086634 /nfs/dbraw/zinc/08/66/34/221086634.db2.gz QMNMFPRNCNIANX-OAQYLSRUSA-N 1 2 397.544 3.854 50 0 GHAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)NC(=O)NC1CCCCC1 ZINC000009591207 221086637 /nfs/dbraw/zinc/08/66/37/221086637.db2.gz QMNMFPRNCNIANX-OAQYLSRUSA-N 1 2 397.544 3.854 50 0 GHAALO CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2C)cc1C ZINC000010227257 221099499 /nfs/dbraw/zinc/09/94/99/221099499.db2.gz FOMSVCWSYGTAFU-GFCCVEGCSA-N 1 2 378.519 3.853 50 0 GHAALO CCOC(=O)c1sc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2C)cc1C ZINC000010227257 221099502 /nfs/dbraw/zinc/09/95/02/221099502.db2.gz FOMSVCWSYGTAFU-GFCCVEGCSA-N 1 2 378.519 3.853 50 0 GHAALO O=C(Nc1ccccc1C(=O)NCCCn1cc[nH+]c1)c1cc2ccccc2o1 ZINC000010313236 221099850 /nfs/dbraw/zinc/09/98/50/221099850.db2.gz AONGVVXXVCXGQT-UHFFFAOYSA-N 1 2 388.427 3.702 50 0 GHAALO CC(C)Cn1c(C[N@H+](C)CC(C)C)cnc1S(=O)(=O)Cc1ccccc1 ZINC000011664747 221120416 /nfs/dbraw/zinc/12/04/16/221120416.db2.gz QNZBPAKRYZZEHR-UHFFFAOYSA-N 1 2 377.554 3.601 50 0 GHAALO CC(C)Cn1c(C[N@@H+](C)CC(C)C)cnc1S(=O)(=O)Cc1ccccc1 ZINC000011664747 221120417 /nfs/dbraw/zinc/12/04/17/221120417.db2.gz QNZBPAKRYZZEHR-UHFFFAOYSA-N 1 2 377.554 3.601 50 0 GHAALO CN(Cc1[nH+]ccn1C)C(=O)c1csc2nc(-c3ccccc3Cl)cn12 ZINC000011663859 221120752 /nfs/dbraw/zinc/12/07/52/221120752.db2.gz KVTCRXXCDHVBHW-UHFFFAOYSA-N 1 2 385.880 3.722 50 0 GHAALO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3cc(CC(C)C)[nH]n3)[N@H+]3CCC[C@@]23C1=O ZINC000012441864 221196105 /nfs/dbraw/zinc/19/61/05/221196105.db2.gz RMVHPJYEBXPSQT-APTRMMRNSA-N 1 2 392.547 3.855 50 0 GHAALO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3cc(CC(C)C)[nH]n3)[N@@H+]3CCC[C@@]23C1=O ZINC000012441864 221196107 /nfs/dbraw/zinc/19/61/07/221196107.db2.gz RMVHPJYEBXPSQT-APTRMMRNSA-N 1 2 392.547 3.855 50 0 GHAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000012516689 221200067 /nfs/dbraw/zinc/20/00/67/221200067.db2.gz ZWGNCMRSEJJOKS-UHFFFAOYSA-N 1 2 389.499 3.631 50 0 GHAALO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000012753365 221225198 /nfs/dbraw/zinc/22/51/98/221225198.db2.gz KPXONBARAHUPKJ-SFHVURJKSA-N 1 2 379.287 3.797 50 0 GHAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)NCc2ccccc2Cl)c1 ZINC000012902399 221243773 /nfs/dbraw/zinc/24/37/73/221243773.db2.gz QESYJOGHPHTBJI-LJQANCHMSA-N 1 2 388.895 3.811 50 0 GHAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)NCc2ccccc2Cl)c1 ZINC000012902399 221243776 /nfs/dbraw/zinc/24/37/76/221243776.db2.gz QESYJOGHPHTBJI-LJQANCHMSA-N 1 2 388.895 3.811 50 0 GHAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000012879190 221240898 /nfs/dbraw/zinc/24/08/98/221240898.db2.gz DGZZIRIMJITLPF-UHFFFAOYSA-N 1 2 383.879 3.788 50 0 GHAALO C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000012930866 221248238 /nfs/dbraw/zinc/24/82/38/221248238.db2.gz OEUHYXRXYSVUGK-AWEZNQCLSA-N 1 2 387.430 3.643 50 0 GHAALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)n(-c2ccc(F)cc2)n1 ZINC000012918740 221245732 /nfs/dbraw/zinc/24/57/32/221245732.db2.gz BBDZLDNPFAZBFD-ZDUSSCGKSA-N 1 2 384.377 3.533 50 0 GHAALO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)n(-c2ccc(F)cc2)n1 ZINC000012918740 221245736 /nfs/dbraw/zinc/24/57/36/221245736.db2.gz BBDZLDNPFAZBFD-ZDUSSCGKSA-N 1 2 384.377 3.533 50 0 GHAALO O=C(CSc1cc(Cl)ccc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000013095639 221260540 /nfs/dbraw/zinc/26/05/40/221260540.db2.gz BTXMQYNHVAYPDZ-UHFFFAOYSA-N 1 2 382.316 3.829 50 0 GHAALO CCOC(=O)C1(C[C@H]2CCCCO2)CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000013636805 221278338 /nfs/dbraw/zinc/27/83/38/221278338.db2.gz FQTJOOLSWKSTPP-QGZVFWFLSA-N 1 2 385.508 3.667 50 0 GHAALO CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)Cc1ccc(Cl)s1 ZINC000015305337 221334101 /nfs/dbraw/zinc/33/41/01/221334101.db2.gz SHAYMLCNOSVUKM-ZDUSSCGKSA-N 1 2 391.924 3.987 50 0 GHAALO CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C)Cc1ccc(Cl)s1 ZINC000015305337 221334103 /nfs/dbraw/zinc/33/41/03/221334103.db2.gz SHAYMLCNOSVUKM-ZDUSSCGKSA-N 1 2 391.924 3.987 50 0 GHAALO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)c(OC)c1 ZINC000015063010 221327876 /nfs/dbraw/zinc/32/78/76/221327876.db2.gz WFYLJSKSHNFTRZ-OAHLLOKOSA-N 1 2 379.460 3.675 50 0 GHAALO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)c(OC)c1 ZINC000015063010 221327877 /nfs/dbraw/zinc/32/78/77/221327877.db2.gz WFYLJSKSHNFTRZ-OAHLLOKOSA-N 1 2 379.460 3.675 50 0 GHAALO COc1ccc([C@H](NC(=O)c2cc(F)c(F)cc2Cl)c2[nH+]ccn2C)cc1 ZINC000016472903 221363613 /nfs/dbraw/zinc/36/36/13/221363613.db2.gz ODTPZOUHMNYFCZ-KRWDZBQOSA-N 1 2 391.805 3.880 50 0 GHAALO COc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3c(=O)[nH]2)cc1Br ZINC000016694990 221369219 /nfs/dbraw/zinc/36/92/19/221369219.db2.gz VYWAWXOKSVFEKC-LLVKDONJSA-N 1 2 388.265 3.545 50 0 GHAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019928720 221462838 /nfs/dbraw/zinc/46/28/38/221462838.db2.gz BHJQOPPKGCAPSE-UHFFFAOYSA-N 1 2 388.895 3.968 50 0 GHAALO C[C@H](C(=O)N[C@@H]1CCCc2ccccc21)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000058163280 136154608 /nfs/dbraw/zinc/15/46/08/136154608.db2.gz WMLJSUHXGNJSKG-VGOFRKELSA-N 1 2 381.495 3.530 50 0 GHAALO O=C(NCc1nc(-c2ccccc2)cs1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000062265903 136156303 /nfs/dbraw/zinc/15/63/03/136156303.db2.gz YVDVNDCAGRLQNP-QGZVFWFLSA-N 1 2 378.501 3.738 50 0 GHAALO Cc1cc(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C2CC2)C3)nc[nH+]1 ZINC000095357078 136178012 /nfs/dbraw/zinc/17/80/12/136178012.db2.gz UJVIGMZQKNOARP-FQEVSTJZSA-N 1 2 376.504 3.550 50 0 GHAALO CCc1[nH+]c(C(C)C)nc(N2CCN(C(C)=O)CC2)c1Cc1cccc(C)c1 ZINC000096316830 136186293 /nfs/dbraw/zinc/18/62/93/136186293.db2.gz XUURVYOISLSLMC-UHFFFAOYSA-N 1 2 380.536 3.730 50 0 GHAALO CCC(=O)N1CCN(c2nc(C)[nH+]c(C(C)(C)C)c2Cc2ccccc2F)CC1 ZINC000096318067 136186505 /nfs/dbraw/zinc/18/65/05/136186505.db2.gz MFGZOPBEMHIEQS-UHFFFAOYSA-N 1 2 398.526 3.871 50 0 GHAALO COc1cc(NC(=O)Cc2c[nH+]c3c(C)cccn23)ccc1NC(=O)CC(C)C ZINC000055244223 222018813 /nfs/dbraw/zinc/01/88/13/222018813.db2.gz NFZYDJDRGVEREL-UHFFFAOYSA-N 1 2 394.475 3.817 50 0 GHAALO COc1cccc(CN[C@H](C)c2cn3ccsc3n2)c1OCCn1cc[nH+]c1 ZINC000055414940 222023107 /nfs/dbraw/zinc/02/31/07/222023107.db2.gz BAQNFUWKPLBUAG-OAHLLOKOSA-N 1 2 397.504 3.531 50 0 GHAALO COc1ccc(-c2[nH+]c(C)cc(C)c2CNS(=O)(=O)c2cccs2)cc1 ZINC000065171471 222106359 /nfs/dbraw/zinc/10/63/59/222106359.db2.gz GJOGRJBHBWRZBR-UHFFFAOYSA-N 1 2 388.514 3.914 50 0 GHAALO CCN(CC)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000058013841 222037950 /nfs/dbraw/zinc/03/79/50/222037950.db2.gz KFNKIUHOCACMHV-NRFANRHFSA-N 1 2 388.533 3.581 50 0 GHAALO CCN(CC)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000058013841 222037954 /nfs/dbraw/zinc/03/79/54/222037954.db2.gz KFNKIUHOCACMHV-NRFANRHFSA-N 1 2 388.533 3.581 50 0 GHAALO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000058146021 222041639 /nfs/dbraw/zinc/04/16/39/222041639.db2.gz BUYUICNPKBFGBR-IBGZPJMESA-N 1 2 390.491 3.933 50 0 GHAALO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000058146021 222041643 /nfs/dbraw/zinc/04/16/43/222041643.db2.gz BUYUICNPKBFGBR-IBGZPJMESA-N 1 2 390.491 3.933 50 0 GHAALO C[N@H+](CC(=O)NC1CCCCCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000058380604 222050971 /nfs/dbraw/zinc/05/09/71/222050971.db2.gz UVRJFDMTCXVROZ-HKUYNNGSSA-N 1 2 385.335 3.722 50 0 GHAALO C[N@@H+](CC(=O)NC1CCCCCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000058380604 222050975 /nfs/dbraw/zinc/05/09/75/222050975.db2.gz UVRJFDMTCXVROZ-HKUYNNGSSA-N 1 2 385.335 3.722 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3cccc(F)c3)CC2)nc[nH+]1 ZINC000065274242 222120656 /nfs/dbraw/zinc/12/06/56/222120656.db2.gz BGEJPNUZITYQME-UHFFFAOYSA-N 1 2 399.514 3.751 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3cccc(F)c3)CC2)[nH+]cn1 ZINC000065274242 222120660 /nfs/dbraw/zinc/12/06/60/222120660.db2.gz BGEJPNUZITYQME-UHFFFAOYSA-N 1 2 399.514 3.751 50 0 GHAALO Cc1cc(Cl)ccc1NC(=O)Cn1ncc2c1nc[nH+]c2N1CCCCCC1 ZINC000065295206 222120874 /nfs/dbraw/zinc/12/08/74/222120874.db2.gz RZLIDPZLNPHPDI-UHFFFAOYSA-N 1 2 398.898 3.807 50 0 GHAALO C[C@H](C(=O)N(C)C)[N@@H+]1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067871698 222166166 /nfs/dbraw/zinc/16/61/66/222166166.db2.gz VHJIPOIPTYJGKM-CQSZACIVSA-N 1 2 396.512 3.945 50 0 GHAALO C[C@H](C(=O)N(C)C)[N@H+]1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067871698 222166170 /nfs/dbraw/zinc/16/61/70/222166170.db2.gz VHJIPOIPTYJGKM-CQSZACIVSA-N 1 2 396.512 3.945 50 0 GHAALO CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067910013 222167020 /nfs/dbraw/zinc/16/70/20/222167020.db2.gz RFBCHMZWSJNMTL-UHFFFAOYSA-N 1 2 380.473 3.810 50 0 GHAALO COc1ccc2cc([C@@H]3C[N@H+](Cc4[nH]cc(C)c(=O)c4C)CCO3)ccc2c1 ZINC000071405664 222184401 /nfs/dbraw/zinc/18/44/01/222184401.db2.gz LXQNPKFGZJGTJR-QFIPXVFZSA-N 1 2 378.472 3.727 50 0 GHAALO COc1ccc2cc([C@@H]3C[N@@H+](Cc4[nH]cc(C)c(=O)c4C)CCO3)ccc2c1 ZINC000071405664 222184403 /nfs/dbraw/zinc/18/44/03/222184403.db2.gz LXQNPKFGZJGTJR-QFIPXVFZSA-N 1 2 378.472 3.727 50 0 GHAALO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000072409895 222255135 /nfs/dbraw/zinc/25/51/35/222255135.db2.gz HBJNRROKVFTXQU-OAQYLSRUSA-N 1 2 388.515 3.867 50 0 GHAALO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000072409895 222255139 /nfs/dbraw/zinc/25/51/39/222255139.db2.gz HBJNRROKVFTXQU-OAQYLSRUSA-N 1 2 388.515 3.867 50 0 GHAALO O=C(C[NH+]1CCC(c2nnc(-c3ccco3)s2)CC1)OCc1ccccc1 ZINC000077198195 222275159 /nfs/dbraw/zinc/27/51/59/222275159.db2.gz YCZVDZRGGPDHDE-UHFFFAOYSA-N 1 2 383.473 3.721 50 0 GHAALO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)c(OC)c3)[C@H](C)C(=O)[C@H]2C)cc1OC ZINC000095531876 222354844 /nfs/dbraw/zinc/35/48/44/222354844.db2.gz VOOAAKGQPAZLIF-GKHNXXNSSA-N 1 2 399.487 3.948 50 0 GHAALO Cc1ccc(-c2cnc(CCc3nc([C@H]4C[N@H+](C(C)C)CCO4)no3)o2)cc1 ZINC000095999245 222369485 /nfs/dbraw/zinc/36/94/85/222369485.db2.gz QOCMFPDJCKQRMZ-GOSISDBHSA-N 1 2 382.464 3.600 50 0 GHAALO Cc1ccc(-c2cnc(CCc3nc([C@H]4C[N@@H+](C(C)C)CCO4)no3)o2)cc1 ZINC000095999245 222369490 /nfs/dbraw/zinc/36/94/90/222369490.db2.gz QOCMFPDJCKQRMZ-GOSISDBHSA-N 1 2 382.464 3.600 50 0 GHAALO O=C(CCc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2nccs2)CC1 ZINC000019220461 526611239 /nfs/dbraw/zinc/61/12/39/526611239.db2.gz IHJOYWBKGPMWEO-UHFFFAOYSA-N 1 2 395.532 3.748 50 0 GHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3cccc(OC)c3)C2)nc[nH+]1 ZINC000065244859 535193123 /nfs/dbraw/zinc/19/31/23/535193123.db2.gz QQMPYZRXVLQSOY-KRWDZBQOSA-N 1 2 397.523 3.942 50 0 GHAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3cccc(OC)c3)C2)[nH+]cn1 ZINC000065244859 535193126 /nfs/dbraw/zinc/19/31/26/535193126.db2.gz QQMPYZRXVLQSOY-KRWDZBQOSA-N 1 2 397.523 3.942 50 0 GHAALO O=C1N(C[N@@H+]2CCc3ccccc3C2)c2ccccc2C12O[C@H]1CCCC[C@@H]1O2 ZINC000019874142 570226655 /nfs/dbraw/zinc/22/66/55/570226655.db2.gz HOKKPOQCBNXUBK-VXKWHMMOSA-N 1 2 390.483 3.560 50 0 GHAALO O=C1N(C[N@H+]2CCc3ccccc3C2)c2ccccc2C12O[C@H]1CCCC[C@@H]1O2 ZINC000019874142 570226656 /nfs/dbraw/zinc/22/66/56/570226656.db2.gz HOKKPOQCBNXUBK-VXKWHMMOSA-N 1 2 390.483 3.560 50 0 GHAALO COc1cccc(OC)c1C(=O)N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000019882795 570227423 /nfs/dbraw/zinc/22/74/23/570227423.db2.gz YDEMDVDUYVGWOY-UHFFFAOYSA-N 1 2 390.483 3.815 50 0 GHAALO COc1ccc2[nH]cc(C(=O)CN3CC[NH+](C/C=C/c4ccccc4)CC3)c2c1 ZINC000019939910 570232698 /nfs/dbraw/zinc/23/26/98/570232698.db2.gz JLFDNCCINWMMKE-VMPITWQZSA-N 1 2 389.499 3.690 50 0 GHAALO Cc1ccc2c(C[NH+]3CCN(C(=O)c4ccc(C)c(F)c4)CC3)cc(=O)oc2c1 ZINC000048374625 570249569 /nfs/dbraw/zinc/24/95/69/570249569.db2.gz NFUYLTIIRSOUQT-UHFFFAOYSA-N 1 2 394.446 3.507 50 0 GHAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000049027084 570259620 /nfs/dbraw/zinc/25/96/20/570259620.db2.gz HLLJBQLAGPEUNC-UHFFFAOYSA-N 1 2 378.925 3.903 50 0 GHAALO O=C(CC12CC3CC(CC(C3)C1)C2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020493941 570263868 /nfs/dbraw/zinc/26/38/68/570263868.db2.gz PXJNZKYIVXNXNG-UHFFFAOYSA-N 1 2 396.531 3.666 50 0 GHAALO C/C=C(\C)C[N@H+](C)Cc1nnc(SCCCO)n1-c1cccc(Cl)c1 ZINC000020781731 570280448 /nfs/dbraw/zinc/28/04/48/570280448.db2.gz MUGPUAJZVCIBCP-LNKIKWGQSA-N 1 2 380.945 3.793 50 0 GHAALO C/C=C(\C)C[N@@H+](C)Cc1nnc(SCCCO)n1-c1cccc(Cl)c1 ZINC000020781731 570280450 /nfs/dbraw/zinc/28/04/50/570280450.db2.gz MUGPUAJZVCIBCP-LNKIKWGQSA-N 1 2 380.945 3.793 50 0 GHAALO CN1CC[NH+](Cc2ccc(C(=O)c3ccc(Br)cc3F)cc2)CC1 ZINC000022027938 570302594 /nfs/dbraw/zinc/30/25/94/570302594.db2.gz NDMNMRSPCRGNHJ-UHFFFAOYSA-N 1 2 391.284 3.567 50 0 GHAALO CC(C)(C)c1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000024135975 570379253 /nfs/dbraw/zinc/37/92/53/570379253.db2.gz SKYQWZGPHHJOHJ-UHFFFAOYSA-N 1 2 378.516 3.877 50 0 GHAALO CC(C)(CNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000024601927 570387449 /nfs/dbraw/zinc/38/74/49/570387449.db2.gz KECOJLPGIQOBAV-UHFFFAOYSA-N 1 2 394.515 3.544 50 0 GHAALO Cc1csc(N[NH2+]C=C2C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)n1 ZINC000032735806 570393563 /nfs/dbraw/zinc/39/35/63/570393563.db2.gz NTJHSBPUWGJENG-WOJGMQOQSA-N 1 2 390.468 3.905 50 0 GHAALO COc1ccccc1[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1[nH+]ccn1C ZINC000025053180 570404374 /nfs/dbraw/zinc/40/43/74/570404374.db2.gz SNQDTMNECPOBFA-IFXJQAMLSA-N 1 2 399.878 3.755 50 0 GHAALO S=c1[nH]nc(CC[NH+]2CCN(c3ccc(Cl)cc3)CC2)n1-c1ccccc1 ZINC000004798016 570406077 /nfs/dbraw/zinc/40/60/77/570406077.db2.gz PJNLERXKUMWQCJ-UHFFFAOYSA-N 1 2 399.951 3.948 50 0 GHAALO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1F ZINC000026866113 570429357 /nfs/dbraw/zinc/42/93/57/570429357.db2.gz OJISFBQYLDSIKD-UHFFFAOYSA-N 1 2 387.411 3.534 50 0 GHAALO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)cc1F ZINC000026866113 570429359 /nfs/dbraw/zinc/42/93/59/570429359.db2.gz OJISFBQYLDSIKD-UHFFFAOYSA-N 1 2 387.411 3.534 50 0 GHAALO CC(C)c1noc([C@H](C)[N@H+](C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)n1 ZINC000027305523 570433164 /nfs/dbraw/zinc/43/31/64/570433164.db2.gz OZFUWMONLHUNGH-LBPRGKRZSA-N 1 2 384.402 3.678 50 0 GHAALO CC(C)c1noc([C@H](C)[N@@H+](C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)n1 ZINC000027305523 570433167 /nfs/dbraw/zinc/43/31/67/570433167.db2.gz OZFUWMONLHUNGH-LBPRGKRZSA-N 1 2 384.402 3.678 50 0 GHAALO Cc1cc(NC(=O)[C@H](c2ccccc2)[N@H+](C)Cc2ccc3c(c2)OCO3)no1 ZINC000027364676 570433833 /nfs/dbraw/zinc/43/38/33/570433833.db2.gz VASWGRHXNQRJCC-FQEVSTJZSA-N 1 2 379.416 3.524 50 0 GHAALO Cc1cc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2ccc3c(c2)OCO3)no1 ZINC000027364676 570433835 /nfs/dbraw/zinc/43/38/35/570433835.db2.gz VASWGRHXNQRJCC-FQEVSTJZSA-N 1 2 379.416 3.524 50 0 GHAALO COc1ccc(-c2nnc([C@@H](C)[NH+]3CCN(c4cccc(C)c4)CC3)o2)cc1 ZINC000027385096 570434212 /nfs/dbraw/zinc/43/42/12/570434212.db2.gz AAOLJBKEEZKUKR-QGZVFWFLSA-N 1 2 378.476 3.937 50 0 GHAALO C[N@H+](CC(=O)NC1CCCCCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000248036348 570436292 /nfs/dbraw/zinc/43/62/92/570436292.db2.gz UVRJFDMTCXVROZ-MJGOQNOKSA-N 1 2 385.335 3.722 50 0 GHAALO C[N@@H+](CC(=O)NC1CCCCCC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000248036348 570436294 /nfs/dbraw/zinc/43/62/94/570436294.db2.gz UVRJFDMTCXVROZ-MJGOQNOKSA-N 1 2 385.335 3.722 50 0 GHAALO C[C@@H](CCc1ccccc1)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000029319884 570471687 /nfs/dbraw/zinc/47/16/87/570471687.db2.gz KUPMHRXHLFBGFI-OXJNMPFZSA-N 1 2 380.467 3.969 50 0 GHAALO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030219032 570487083 /nfs/dbraw/zinc/48/70/83/570487083.db2.gz JEBAHBYJLYTKCX-UHFFFAOYSA-N 1 2 399.498 3.593 50 0 GHAALO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)CN1CCSC1=S ZINC000022961265 570516713 /nfs/dbraw/zinc/51/67/13/570516713.db2.gz HGISFNQJGJKJSZ-UHFFFAOYSA-N 1 2 394.997 3.925 50 0 GHAALO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)CN1CCSC1=S ZINC000022961265 570516714 /nfs/dbraw/zinc/51/67/14/570516714.db2.gz HGISFNQJGJKJSZ-UHFFFAOYSA-N 1 2 394.997 3.925 50 0 GHAALO CCOC(=O)c1[nH]c(C)c(C(=O)NCCC[N@H+](CC)c2cccc(C)c2)c1C ZINC000006781069 570589088 /nfs/dbraw/zinc/58/90/88/570589088.db2.gz XYROCYYXPXDVHP-UHFFFAOYSA-N 1 2 385.508 3.763 50 0 GHAALO CCOC(=O)c1[nH]c(C)c(C(=O)NCCC[N@@H+](CC)c2cccc(C)c2)c1C ZINC000006781069 570589089 /nfs/dbraw/zinc/58/90/89/570589089.db2.gz XYROCYYXPXDVHP-UHFFFAOYSA-N 1 2 385.508 3.763 50 0 GHAALO c1nnc2ncn3[nH]c(-c4ccc(COc5ccc6c(c5)CCC6)cc4)[nH+]c3c1-2 ZINC000006829086 570626461 /nfs/dbraw/zinc/62/64/61/570626461.db2.gz NOGZPIMHHZUCJI-UHFFFAOYSA-N 1 2 382.427 3.735 50 0 GHAALO Cc1ccc(CN2CCN(S(=O)(=O)Cc3ccccc3)c3ccc[nH+]c32)cc1 ZINC000033019551 570644816 /nfs/dbraw/zinc/64/48/16/570644816.db2.gz QSFHCXIVKZORQI-UHFFFAOYSA-N 1 2 393.512 3.747 50 0 GHAALO CC(=O)Nc1nc(CSc2[nH+]cnc3c2cnn3-c2ccccc2)cs1 ZINC000006879119 570670210 /nfs/dbraw/zinc/67/02/10/570670210.db2.gz MTOMCTCHKWWAPS-UHFFFAOYSA-N 1 2 382.474 3.523 50 0 GHAALO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1nnnn1C1CC1 ZINC000239366942 570683112 /nfs/dbraw/zinc/68/31/12/570683112.db2.gz AGWMBRGRXJQFHJ-CYBMUJFWSA-N 1 2 396.882 3.765 50 0 GHAALO C[C@@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057291678 570701879 /nfs/dbraw/zinc/70/18/79/570701879.db2.gz GAFTZKSGAXIKEE-AWEZNQCLSA-N 1 2 384.480 3.585 50 0 GHAALO O=C(C[NH+]1CCN(c2ncccn2)CC1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000036447671 570710035 /nfs/dbraw/zinc/71/00/35/570710035.db2.gz BZOPQPYQHIPVHV-UHFFFAOYSA-N 1 2 397.482 3.630 50 0 GHAALO O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025174441 570739623 /nfs/dbraw/zinc/73/96/23/570739623.db2.gz WPEPOJQQRBPRTC-UHFFFAOYSA-N 1 2 379.445 3.614 50 0 GHAALO Cc1ccc(C(=O)N2CC[C@@]3(C2)[NH2+]Cc2ccccc2NC3=NC(C)(C)C)s1 ZINC000065265960 570768875 /nfs/dbraw/zinc/76/88/75/570768875.db2.gz TZKKXDXGJQUTRL-QFIPXVFZSA-N 1 2 396.560 3.863 50 0 GHAALO CCc1ccc2nc(N(CCC[NH+]3CCOCC3)C(=O)c3ccco3)sc2c1 ZINC000022997593 570775295 /nfs/dbraw/zinc/77/52/95/570775295.db2.gz JFMDTLHUIYGDKX-UHFFFAOYSA-N 1 2 399.516 3.821 50 0 GHAALO O=C(NCc1[nH+]ccn1CCCc1ccccc1)NOCc1ccc(F)cc1 ZINC000183668760 570816514 /nfs/dbraw/zinc/81/65/14/570816514.db2.gz BELIUROWAPPDLM-UHFFFAOYSA-N 1 2 382.439 3.586 50 0 GHAALO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000102474184 570848741 /nfs/dbraw/zinc/84/87/41/570848741.db2.gz DWHOKXPEZHFKMN-HLIPFELVSA-N 1 2 378.497 3.604 50 0 GHAALO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000102474184 570848743 /nfs/dbraw/zinc/84/87/43/570848743.db2.gz DWHOKXPEZHFKMN-HLIPFELVSA-N 1 2 378.497 3.604 50 0 GHAALO Cc1cc(C[NH+]2CCN(c3nc(-c4ccccc4)nc4ccccc43)CC2)no1 ZINC000012552646 570856226 /nfs/dbraw/zinc/85/62/26/570856226.db2.gz GWKHTZYZEQELGP-UHFFFAOYSA-N 1 2 385.471 3.915 50 0 GHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000024537750 570888619 /nfs/dbraw/zinc/88/86/19/570888619.db2.gz YHAZBIVYJPHWGN-UHFFFAOYSA-N 1 2 399.878 3.518 50 0 GHAALO CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000042685660 570892648 /nfs/dbraw/zinc/89/26/48/570892648.db2.gz FHWZXSNRPPZPAL-LBPRGKRZSA-N 1 2 386.323 3.559 50 0 GHAALO COC(=O)N1CCC[N@@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000089913672 570919078 /nfs/dbraw/zinc/91/90/78/570919078.db2.gz FXPHIEALISQRSU-LBPRGKRZSA-N 1 2 398.385 3.591 50 0 GHAALO COC(=O)N1CCC[N@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000089913672 570919079 /nfs/dbraw/zinc/91/90/79/570919079.db2.gz FXPHIEALISQRSU-LBPRGKRZSA-N 1 2 398.385 3.591 50 0 GHAALO COc1cccc(C(=O)Nc2ccc(Nc3nc(N(C)C)cc(C)[nH+]3)cc2)c1 ZINC000017013488 570924172 /nfs/dbraw/zinc/92/41/72/570924172.db2.gz AUCRQTKLXMPXGN-UHFFFAOYSA-N 1 2 377.448 3.856 50 0 GHAALO CC[NH+]1CCN(S(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)CC1 ZINC000033290149 570961148 /nfs/dbraw/zinc/96/11/48/570961148.db2.gz FEEIIIVGCOQCMH-UHFFFAOYSA-N 1 2 399.607 3.630 50 0 GHAALO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCc3ccccc3C2)C[C@@H](C)O1 ZINC000047569303 570964863 /nfs/dbraw/zinc/96/48/63/570964863.db2.gz FADGCXSBFIJQAM-QZTJIDSGSA-N 1 2 379.504 3.886 50 0 GHAALO COc1ccc([C@H](CNc2nc(C(F)(F)F)cs2)[NH+]2CCOCC2)cc1 ZINC000083938022 570981393 /nfs/dbraw/zinc/98/13/93/570981393.db2.gz XMYCOZJFJFARBF-AWEZNQCLSA-N 1 2 387.427 3.656 50 0 GHAALO COc1ccc2[nH]c(CCN(C)C(=O)c3[nH]c4ccc(C)cc4c3C)[nH+]c2c1 ZINC000091809150 571031853 /nfs/dbraw/zinc/03/18/53/571031853.db2.gz SMPJLYQXJXCNEO-UHFFFAOYSA-N 1 2 376.460 3.984 50 0 GHAALO CCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)NCc1noc(-c2ccco2)n1 ZINC000095375708 571064257 /nfs/dbraw/zinc/06/42/57/571064257.db2.gz OZNWQJJSMSSPQO-CQSZACIVSA-N 1 2 379.420 3.509 50 0 GHAALO Cc1c[nH+]c(-c2ccncc2)n1C[C@@H]1CCCN(C(=O)c2ccc(C)nc2)C1 ZINC000581807506 837681828 /nfs/dbraw/zinc/68/18/28/837681828.db2.gz JMLLSNYJHXOUKB-GOSISDBHSA-N 1 2 375.476 3.509 50 0 GHAALO CCOc1ccccc1C[N@@H+]1CCOc2ccc([C@H](O)c3ccncc3)cc2C1 ZINC000299759760 840768543 /nfs/dbraw/zinc/76/85/43/840768543.db2.gz OWQLQBRPVJYJMI-XMMPIXPASA-N 1 2 390.483 3.957 50 0 GHAALO CCOc1ccccc1C[N@H+]1CCOc2ccc([C@H](O)c3ccncc3)cc2C1 ZINC000299759760 840768551 /nfs/dbraw/zinc/76/85/51/840768551.db2.gz OWQLQBRPVJYJMI-XMMPIXPASA-N 1 2 390.483 3.957 50 0 GHAALO Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]Cc1nnc[nH]1 ZINC000888093195 842452675 /nfs/dbraw/zinc/45/26/75/842452675.db2.gz TUAOGAKIBOGLOL-SECBINFHSA-N 1 2 378.299 3.850 50 0 GHAALO c1cc([C@@H]2CCCCO2)oc1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000820408711 861983528 /nfs/dbraw/zinc/98/35/28/861983528.db2.gz BPWUSINABBYNIA-IBGZPJMESA-N 1 2 384.476 3.568 50 0 GHAALO c1cc([C@@H]2CCCCO2)oc1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000820408711 861983534 /nfs/dbraw/zinc/98/35/34/861983534.db2.gz BPWUSINABBYNIA-IBGZPJMESA-N 1 2 384.476 3.568 50 0 GHAALO C[C@@H](NC(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000245237743 856761754 /nfs/dbraw/zinc/76/17/54/856761754.db2.gz UMIQUGUBAKCTMD-CRAIPNDOSA-N 1 2 376.497 3.746 50 0 GHAALO C[C@@H](NC(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000245237743 856761765 /nfs/dbraw/zinc/76/17/65/856761765.db2.gz UMIQUGUBAKCTMD-CRAIPNDOSA-N 1 2 376.497 3.746 50 0 GHAALO OCCN1CC[NH+]([C@H]2Cc3ccc(F)cc3Sc3ccc(Cl)cc32)CC1 ZINC000096257163 860824023 /nfs/dbraw/zinc/82/40/23/860824023.db2.gz HFVFYDNXVLFKQV-SFHVURJKSA-N 1 2 392.927 3.837 50 0 GHAALO COc1ccc(-c2ccc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)c(=O)[nH]2)cc1 ZINC000824689229 864107072 /nfs/dbraw/zinc/10/70/72/864107072.db2.gz DTDLXBRRJVJHAM-IBGZPJMESA-N 1 2 394.475 3.504 50 0 GHAALO Cc1ccc2nc(CNC(=O)[C@H](c3ccc(F)cc3)[NH+]3CCCCC3)cn2c1 ZINC000827647442 865055389 /nfs/dbraw/zinc/05/53/89/865055389.db2.gz KIFHEFYDZCXFKI-NRFANRHFSA-N 1 2 380.467 3.625 50 0 GHAALO CC1=C(c2ccccc2)[C@H]1C(=O)NCC1CC[NH+](Cc2nnc(C(C)C)o2)CC1 ZINC000827688898 865073709 /nfs/dbraw/zinc/07/37/09/865073709.db2.gz MTYSEZWIAXYMFF-NRFANRHFSA-N 1 2 394.519 3.625 50 0 GHAALO COc1cccc(S(=O)(=O)N2CC[C@H](n3c(C)c[nH+]c3-c3ccccc3)C2)c1 ZINC000575548715 866188918 /nfs/dbraw/zinc/18/89/18/866188918.db2.gz JAOMPRXPHRGVLO-SFHVURJKSA-N 1 2 397.500 3.503 50 0 GHAALO Cc1c[nH+]c(-c2ccccc2)n1C[C@@H]1CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 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GHAALO O=C(C[N@H+]1CCCC[C@H]1c1nc(-c2ccc(F)cc2)no1)NCc1ccccc1 ZINC000065250082 222116374 /nfs/dbraw/zinc/11/63/74/222116374.db2.gz AFZSGKKMTSOSOZ-IBGZPJMESA-N 1 2 394.450 3.719 50 0 GHAALO O=C(C[N@@H+]1CCCC[C@H]1c1nc(-c2ccc(F)cc2)no1)NCc1ccccc1 ZINC000065250082 222116376 /nfs/dbraw/zinc/11/63/76/222116376.db2.gz AFZSGKKMTSOSOZ-IBGZPJMESA-N 1 2 394.450 3.719 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccccc3)CC2)nc[nH+]1 ZINC000065274218 222120196 /nfs/dbraw/zinc/12/01/96/222120196.db2.gz KVYHJNBUKQWGQB-UHFFFAOYSA-N 1 2 381.524 3.612 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)NCc3ccccc3)CC2)[nH+]cn1 ZINC000065274218 222120198 /nfs/dbraw/zinc/12/01/98/222120198.db2.gz KVYHJNBUKQWGQB-UHFFFAOYSA-N 1 2 381.524 3.612 50 0 GHAALO CCNc1cc(N2CCC(CCC(=O)NCc3cccc(C)c3)CC2)nc[nH+]1 ZINC000065274030 222120210 /nfs/dbraw/zinc/12/02/10/222120210.db2.gz RRUAQDLUNUSLFE-UHFFFAOYSA-N 1 2 381.524 3.530 50 0 GHAALO CCNc1cc(N2CCC(CCC(=O)NCc3cccc(C)c3)CC2)[nH+]cn1 ZINC000065274030 222120214 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C[N@H+](Cc1cc(C(=O)N(Cc2cccnc2)C2CC2)no1)Cc1ccccc1 ZINC000067847688 222162991 /nfs/dbraw/zinc/16/29/91/222162991.db2.gz OYKUKEWYGCMYMC-UHFFFAOYSA-N 1 2 376.460 3.506 50 0 GHAALO C[N@@H+](Cc1cc(C(=O)N(Cc2cccnc2)C2CC2)no1)Cc1ccccc1 ZINC000067847688 222162995 /nfs/dbraw/zinc/16/29/95/222162995.db2.gz OYKUKEWYGCMYMC-UHFFFAOYSA-N 1 2 376.460 3.506 50 0 GHAALO CC(C)Cc1noc(C[NH+]2CCC([C@@H]3CCCCCN3C(=O)C3CC3)CC2)n1 ZINC000071890545 222199894 /nfs/dbraw/zinc/19/98/94/222199894.db2.gz YUWMJUQSKKNNGU-IBGZPJMESA-N 1 2 388.556 3.661 50 0 GHAALO Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(Oc4cc[nH+]cc4)CC3)cc2)n1 ZINC000072480099 222266117 /nfs/dbraw/zinc/26/61/17/222266117.db2.gz VWIDGFCDFCWTEX-UHFFFAOYSA-N 1 2 390.487 3.627 50 0 GHAALO O=C(C[C@@H]1COCC[N@@H+]1Cc1cc2ccccc2o1)Nc1ccc2n[nH]cc2c1 ZINC000072410437 222255743 /nfs/dbraw/zinc/25/57/43/222255743.db2.gz CONVHXFHTXHMOM-GOSISDBHSA-N 1 2 390.443 3.539 50 0 GHAALO O=C(C[C@@H]1COCC[N@H+]1Cc1cc2ccccc2o1)Nc1ccc2n[nH]cc2c1 ZINC000072410437 222255745 /nfs/dbraw/zinc/25/57/45/222255745.db2.gz CONVHXFHTXHMOM-GOSISDBHSA-N 1 2 390.443 3.539 50 0 GHAALO Cc1ccc(-n2cc(C[N@@H+]3CCN(C)C(=O)[C@H]3C)c(-c3cccc(C)c3)n2)cc1 ZINC000072426547 222259677 /nfs/dbraw/zinc/25/96/77/222259677.db2.gz BMTIJNFKWLFMGJ-LJQANCHMSA-N 1 2 388.515 3.819 50 0 GHAALO Cc1ccc(-n2cc(C[N@H+]3CCN(C)C(=O)[C@H]3C)c(-c3cccc(C)c3)n2)cc1 ZINC000072426547 222259681 /nfs/dbraw/zinc/25/96/81/222259681.db2.gz BMTIJNFKWLFMGJ-LJQANCHMSA-N 1 2 388.515 3.819 50 0 GHAALO Cc1ccc2[nH]c(=O)cc(C(=O)N3CCC[C@H](c4[nH+]ccn4C(C)C)C3)c2c1 ZINC000095501903 222334701 /nfs/dbraw/zinc/33/47/01/222334701.db2.gz YZXSSYLRRYMWJP-INIZCTEOSA-N 1 2 378.476 3.634 50 0 GHAALO Cc1ccc([C@H](CNS(=O)(=O)c2ccc(F)c(F)c2F)[NH+]2CCCC2)cc1 ZINC000084148705 222315319 /nfs/dbraw/zinc/31/53/19/222315319.db2.gz DCUNBFRJUOBCRL-INIZCTEOSA-N 1 2 398.450 3.528 50 0 GHAALO Cc1ccc(-c2cnc(CCc3nc([C@@H]4C[N@H+](C(C)C)CCO4)no3)o2)cc1 ZINC000095999244 222369311 /nfs/dbraw/zinc/36/93/11/222369311.db2.gz QOCMFPDJCKQRMZ-SFHVURJKSA-N 1 2 382.464 3.600 50 0 GHAALO Cc1ccc(-c2cnc(CCc3nc([C@@H]4C[N@@H+](C(C)C)CCO4)no3)o2)cc1 ZINC000095999244 222369315 /nfs/dbraw/zinc/36/93/15/222369315.db2.gz QOCMFPDJCKQRMZ-SFHVURJKSA-N 1 2 382.464 3.600 50 0 GHAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCc3ccnc(C)c3)csc2C1 ZINC000426529513 534363932 /nfs/dbraw/zinc/36/39/32/534363932.db2.gz XIZLACZWNCEHMS-UHFFFAOYSA-N 1 2 396.516 3.545 50 0 GHAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCc3ccnc(C)c3)csc2C1 ZINC000426529513 534363940 /nfs/dbraw/zinc/36/39/40/534363940.db2.gz XIZLACZWNCEHMS-UHFFFAOYSA-N 1 2 396.516 3.545 50 0 GHAALO O=C(NCC[C@@H]1CCOC1)c1ccc(-c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000426374449 534414858 /nfs/dbraw/zinc/41/48/58/534414858.db2.gz XXVQHVYNHSTOFJ-LJQANCHMSA-N 1 2 375.472 3.755 50 0 GHAALO S=C(Nc1ccc(Cl)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019840547 570224644 /nfs/dbraw/zinc/22/46/44/570224644.db2.gz JUSGHZGSDCNUAZ-UHFFFAOYSA-N 1 2 389.908 3.583 50 0 GHAALO Cc1ccc(Cn2c3ccccc3n(C[C@@H](O)COc3ccccc3)c2=[NH2+])cc1 ZINC000019854769 570225535 /nfs/dbraw/zinc/22/55/35/570225535.db2.gz QFXRDIRBBPLBCV-HXUWFJFHSA-N 1 2 387.483 3.719 50 0 GHAALO O=C(COc1ccc2ccccc2c1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000019868044 570226710 /nfs/dbraw/zinc/22/67/10/570226710.db2.gz JTHWPFADCFBOEC-UHFFFAOYSA-N 1 2 378.447 3.702 50 0 GHAALO O=C(Nc1cccc(Cl)c1)N(CC[NH+]1CCOCC1)Cc1ccccc1F ZINC000020358535 570252948 /nfs/dbraw/zinc/25/29/48/570252948.db2.gz OEEFYZFDUKLAJQ-UHFFFAOYSA-N 1 2 391.874 3.845 50 0 GHAALO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3cccnc3)cc2)n1 ZINC000020513505 570265006 /nfs/dbraw/zinc/26/50/06/570265006.db2.gz BXKDEXXEGJGMKT-QFIPXVFZSA-N 1 2 389.503 3.877 50 0 GHAALO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3cccnc3)cc2)n1 ZINC000020513505 570265008 /nfs/dbraw/zinc/26/50/08/570265008.db2.gz BXKDEXXEGJGMKT-QFIPXVFZSA-N 1 2 389.503 3.877 50 0 GHAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C)C2)c(OC)c1 ZINC000020540159 570266686 /nfs/dbraw/zinc/26/66/86/570266686.db2.gz ZADMVOSBZAHBMS-INIZCTEOSA-N 1 2 393.487 3.685 50 0 GHAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)c(OC)c1 ZINC000020540159 570266688 /nfs/dbraw/zinc/26/66/88/570266688.db2.gz ZADMVOSBZAHBMS-INIZCTEOSA-N 1 2 393.487 3.685 50 0 GHAALO C[C@H]1C[NH+](CCOc2ccc3c(c2)occ(-c2ccccc2)c3=O)C[C@H](C)O1 ZINC000020589880 570269213 /nfs/dbraw/zinc/26/92/13/570269213.db2.gz SEGDXBOJTVZVCX-IRXDYDNUSA-N 1 2 379.456 3.948 50 0 biogenic GHAALO C[C@H](Oc1ccccc1)c1n[nH]c2c1C[N@H+](Cc1cccc3nonc31)CC2 ZINC000020783872 570280485 /nfs/dbraw/zinc/28/04/85/570280485.db2.gz ZRTOXSXKMIPUEO-AWEZNQCLSA-N 1 2 375.432 3.644 50 0 GHAALO C[C@H](Oc1ccccc1)c1n[nH]c2c1C[N@@H+](Cc1cccc3nonc31)CC2 ZINC000020783872 570280487 /nfs/dbraw/zinc/28/04/87/570280487.db2.gz ZRTOXSXKMIPUEO-AWEZNQCLSA-N 1 2 375.432 3.644 50 0 GHAALO COc1cc2[nH]c(=S)n(C3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)c2cc1OC ZINC000002354473 570283936 /nfs/dbraw/zinc/28/39/36/570283936.db2.gz HDNQJSBCSBHSLL-UHFFFAOYSA-N 1 2 377.510 3.558 50 0 GHAALO Cc1c2ccc(C)c(C)c2oc1C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000021658767 570293691 /nfs/dbraw/zinc/29/36/91/570293691.db2.gz KRDSDXOBSJIERC-UHFFFAOYSA-N 1 2 377.488 3.754 50 0 GHAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc(F)c(Cl)cc1Cl ZINC000021935199 570299987 /nfs/dbraw/zinc/29/99/87/570299987.db2.gz LVSYCMLYFNWTBN-UHFFFAOYSA-N 1 2 397.277 3.895 50 0 GHAALO COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H]2c2ccccc2F)c(OC)c1 ZINC000072308979 570304144 /nfs/dbraw/zinc/30/41/44/570304144.db2.gz QDTSTZRYZVGEAL-RTWAWAEBSA-N 1 2 398.478 3.953 50 0 GHAALO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@H]2c2ccccc2F)c(OC)c1 ZINC000072308979 570304147 /nfs/dbraw/zinc/30/41/47/570304147.db2.gz QDTSTZRYZVGEAL-RTWAWAEBSA-N 1 2 398.478 3.953 50 0 GHAALO Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@H](n2c(C)[nH+]c3ccccc32)C1 ZINC000575414637 570305116 /nfs/dbraw/zinc/30/51/16/570305116.db2.gz RBZVBVPUMVGIKA-INIZCTEOSA-N 1 2 391.500 3.988 50 0 GHAALO COc1cc(CCC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc(OC)c1 ZINC000022290279 570312508 /nfs/dbraw/zinc/31/25/08/570312508.db2.gz VKEYPPPNRHTDBX-UHFFFAOYSA-N 1 2 389.521 3.718 50 0 GHAALO COc1ccc([C@@H](CNc2ncnc3sc(C)c(C)c32)[NH+]2CCOCC2)cc1 ZINC000022344293 570314329 /nfs/dbraw/zinc/31/43/29/570314329.db2.gz VXYZWOIZFQZJMB-GOSISDBHSA-N 1 2 398.532 3.802 50 0 GHAALO O=C(C[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1)NC1CCCCC1 ZINC000022752718 570326376 /nfs/dbraw/zinc/32/63/76/570326376.db2.gz HFSNRCUXLGNWBP-UHFFFAOYSA-N 1 2 384.351 3.560 50 0 GHAALO O=C([C@@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCCC2)C1)N1CCOCC1 ZINC000034900823 570343569 /nfs/dbraw/zinc/34/35/69/570343569.db2.gz SCUVREIJYLXMJZ-GOSISDBHSA-N 1 2 396.535 3.617 50 0 GHAALO Cc1ccc2[nH+]c(-c3cccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)c3)cn2c1 ZINC000006244499 570348215 /nfs/dbraw/zinc/34/82/15/570348215.db2.gz OYVSHSIYQRRBRE-IRXDYDNUSA-N 1 2 383.517 3.976 50 0 GHAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)NCCC1=CCCCC1 ZINC000035403938 570351456 /nfs/dbraw/zinc/35/14/56/570351456.db2.gz VSLOXPDPZQYTQF-UHFFFAOYSA-N 1 2 390.531 3.968 50 0 GHAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)NCCC1=CCCCC1 ZINC000035403938 570351457 /nfs/dbraw/zinc/35/14/57/570351457.db2.gz VSLOXPDPZQYTQF-UHFFFAOYSA-N 1 2 390.531 3.968 50 0 GHAALO CC1=C[C@](O)(C(F)(F)F)N(c2nc(-c3ccco3)cc(C(F)(F)F)n2)[NH2+]1 ZINC000006263584 570353239 /nfs/dbraw/zinc/35/32/39/570353239.db2.gz DANMUFRXLAMPGM-LBPRGKRZSA-N 1 2 380.248 3.592 50 0 GHAALO Cc1cccc2c(=O)[nH]c(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCCO4)nc12 ZINC000024602294 570387437 /nfs/dbraw/zinc/38/74/37/570387437.db2.gz SLLXOWGDGJAHIX-GOSISDBHSA-N 1 2 391.471 3.730 50 0 GHAALO Cc1cccc2c(=O)[nH]c(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCCO4)nc12 ZINC000024602294 570387440 /nfs/dbraw/zinc/38/74/40/570387440.db2.gz SLLXOWGDGJAHIX-GOSISDBHSA-N 1 2 391.471 3.730 50 0 GHAALO CCOc1ccc(C[NH+]2CCN(C(=O)c3sccc3-n3cccc3)CC2)cc1 ZINC000024837920 570395594 /nfs/dbraw/zinc/39/55/94/570395594.db2.gz IZMSLSCIDHBGGS-UHFFFAOYSA-N 1 2 395.528 3.896 50 0 GHAALO Clc1ccc(OCc2cccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)c2)cc1 ZINC000006413957 570405575 /nfs/dbraw/zinc/40/55/75/570405575.db2.gz IWYBGQHPTLQFEV-UHFFFAOYSA-N 1 2 376.807 3.900 50 0 GHAALO C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025329489 570411070 /nfs/dbraw/zinc/41/10/70/570411070.db2.gz PYLMYDSYZKUBKV-DNVCBOLYSA-N 1 2 392.421 3.897 50 0 GHAALO COc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)[NH+]1CCOCC1 ZINC000028292020 570456427 /nfs/dbraw/zinc/45/64/27/570456427.db2.gz NADMWBUWKDBVAD-OAQYLSRUSA-N 1 2 382.504 3.622 50 0 GHAALO CNc1nc(N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)[nH+]cc1Br ZINC000133805667 570468819 /nfs/dbraw/zinc/46/88/19/570468819.db2.gz SWJFPPIABMMIBP-QWHCGFSZSA-N 1 2 385.212 3.501 50 0 GHAALO C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000029593714 570476737 /nfs/dbraw/zinc/47/67/37/570476737.db2.gz HTEODWGLWIXKPK-UHFFFAOYSA-N 1 2 398.466 3.807 50 0 GHAALO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000029593714 570476740 /nfs/dbraw/zinc/47/67/40/570476740.db2.gz HTEODWGLWIXKPK-UHFFFAOYSA-N 1 2 398.466 3.807 50 0 GHAALO CC(C)(C)c1ccc(OCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000030220704 570487236 /nfs/dbraw/zinc/48/72/36/570487236.db2.gz BJXGMFKCIZZKAD-UHFFFAOYSA-N 1 2 377.488 3.924 50 0 GHAALO O=C(OCc1cccc(Br)c1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000051912695 570663908 /nfs/dbraw/zinc/66/39/08/570663908.db2.gz GXRLICJVKDOZST-HNNXBMFYSA-N 1 2 375.266 3.804 50 0 GHAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2nccs2)c(C)c1 ZINC000004341759 570677025 /nfs/dbraw/zinc/67/70/25/570677025.db2.gz FFHHGTRFPQWHDU-UHFFFAOYSA-N 1 2 396.501 3.620 50 0 GHAALO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1nnnn1C1CC1 ZINC000239366945 570683039 /nfs/dbraw/zinc/68/30/39/570683039.db2.gz AGWMBRGRXJQFHJ-ZDUSSCGKSA-N 1 2 396.882 3.765 50 0 GHAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000585149227 570712235 /nfs/dbraw/zinc/71/22/35/570712235.db2.gz QDXNAEWJCFRMCJ-LJQANCHMSA-N 1 2 395.528 3.859 50 0 GHAALO O=C1[C@@H]2CCCC[C@@H]2C(=O)N1C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036512199 570729591 /nfs/dbraw/zinc/72/95/91/570729591.db2.gz DGRKTMXSUDOWDZ-IYOUNJFTSA-N 1 2 386.542 3.890 50 0 GHAALO O=C1[C@@H]2CCCC[C@@H]2C(=O)N1C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000036512199 570729593 /nfs/dbraw/zinc/72/95/93/570729593.db2.gz DGRKTMXSUDOWDZ-IYOUNJFTSA-N 1 2 386.542 3.890 50 0 GHAALO Cc1cc(N)nc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)[nH+]1 ZINC000007049337 570764398 /nfs/dbraw/zinc/76/43/98/570764398.db2.gz MJBOIUVPQGOSDU-UHFFFAOYSA-N 1 2 386.477 3.530 50 0 GHAALO C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050252 570764836 /nfs/dbraw/zinc/76/48/36/570764836.db2.gz XYBNLNFEARLOHM-MRXNPFEDSA-N 1 2 381.501 3.791 50 0 GHAALO CCOc1ccc(CNC(=O)C2CCN(c3[nH]c4ccc(C)cc4[nH+]3)CC2)cc1 ZINC000033070867 570802397 /nfs/dbraw/zinc/80/23/97/570802397.db2.gz HUFSQVHDIBWCON-UHFFFAOYSA-N 1 2 392.503 3.803 50 0 GHAALO CCOc1ccc(CNC(=O)C2CCN(c3[nH]c4cc(C)ccc4[nH+]3)CC2)cc1 ZINC000033070867 570802401 /nfs/dbraw/zinc/80/24/01/570802401.db2.gz HUFSQVHDIBWCON-UHFFFAOYSA-N 1 2 392.503 3.803 50 0 GHAALO COc1ccccc1CNC(=O)[C@@H]1CCCN(c2[nH]c3ccc(Cl)cc3[nH+]2)C1 ZINC000033071469 570802826 /nfs/dbraw/zinc/80/28/26/570802826.db2.gz QJQCYPNMFSWOCX-OAHLLOKOSA-N 1 2 398.894 3.758 50 0 GHAALO Cn1cccc1-c1noc(C2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)n1 ZINC000583649404 570803757 /nfs/dbraw/zinc/80/37/57/570803757.db2.gz NADORPNQPNSNST-UHFFFAOYSA-N 1 2 396.476 3.566 50 0 GHAALO O=C(NC(=O)c1ccc(C(F)(F)F)cc1)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004653872 570806800 /nfs/dbraw/zinc/80/68/00/570806800.db2.gz NQVBWFWHAOFIKR-GOEBONIOSA-N 1 2 384.398 3.836 50 0 GHAALO O=C(NC(=O)c1ccc(C(F)(F)F)cc1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004653872 570806803 /nfs/dbraw/zinc/80/68/03/570806803.db2.gz NQVBWFWHAOFIKR-GOEBONIOSA-N 1 2 384.398 3.836 50 0 GHAALO Cn1ncc2c1nc[nH+]c2NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000012486600 570821419 /nfs/dbraw/zinc/82/14/19/570821419.db2.gz JWIKAOADHXIJAV-UHFFFAOYSA-N 1 2 399.433 3.967 50 0 GHAALO O=c1[nH]c2cc(Cl)c(Cl)cc2nc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000033140486 570827334 /nfs/dbraw/zinc/82/73/34/570827334.db2.gz TVTMHERVGQTSGD-UHFFFAOYSA-N 1 2 389.286 3.964 50 0 GHAALO C[C@H]1c2cccn2CC[N@H+]1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000037207191 570847542 /nfs/dbraw/zinc/84/75/42/570847542.db2.gz MMPBJCQRMVUHDO-IRXDYDNUSA-N 1 2 394.544 3.881 50 0 GHAALO C[C@H]1c2cccn2CC[N@@H+]1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000037207191 570847547 /nfs/dbraw/zinc/84/75/47/570847547.db2.gz MMPBJCQRMVUHDO-IRXDYDNUSA-N 1 2 394.544 3.881 50 0 GHAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)c3ccccc3)cc2)[nH+]1 ZINC000017013520 570923995 /nfs/dbraw/zinc/92/39/95/570923995.db2.gz JUNRHTJLUSMAPE-UHFFFAOYSA-N 1 2 389.459 3.618 50 0 GHAALO Cc1cccc(-c2nc(C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)no2)c1 ZINC000033327673 570983869 /nfs/dbraw/zinc/98/38/69/570983869.db2.gz CDZOGPSJSMLBOX-UHFFFAOYSA-N 1 2 376.460 3.896 50 0 GHAALO Cc1ccc(OP(=O)(NCC[NH+]2CCOCC2)Oc2ccc(C)cc2)cc1 ZINC000019607618 571021719 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O=C(Nc1ccc2ccccc2c1)N1CCN(c2cc(-n3cccc3)nc[nH+]2)CC1 ZINC000090607866 136176156 /nfs/dbraw/zinc/17/61/56/136176156.db2.gz HINXIZBACYNPAL-UHFFFAOYSA-N 1 2 398.470 3.775 50 0 GHAALO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000178467043 136201200 /nfs/dbraw/zinc/20/12/00/136201200.db2.gz VCGOLCFBYLFJRB-UHFFFAOYSA-N 1 2 398.482 3.957 50 0 GHAALO Cc1cc(N)nc(SCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)[nH+]1 ZINC000053561684 222011292 /nfs/dbraw/zinc/01/12/92/222011292.db2.gz JVFFFKDIZRHVSG-LJQANCHMSA-N 1 2 390.512 3.634 50 0 GHAALO COc1ccccc1N1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000055542879 222022517 /nfs/dbraw/zinc/02/25/17/222022517.db2.gz NEWIJTPSCBGBDX-UHFFFAOYSA-N 1 2 379.273 3.919 50 0 GHAALO O=C(C[NH+]1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)Nc1ccccc1F ZINC000065184170 222107266 /nfs/dbraw/zinc/10/72/66/222107266.db2.gz WHRWJCNWKUJCFJ-UHFFFAOYSA-N 1 2 398.413 3.833 50 0 GHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C)n(-c3cccnc3)c2C)c1C ZINC000058957497 222056751 /nfs/dbraw/zinc/05/67/51/222056751.db2.gz FPTVQYPOPGEXHB-UHFFFAOYSA-N 1 2 378.476 3.782 50 0 GHAALO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cccc(C(=O)Nc3c(C)noc3C)c2)n1 ZINC000067457789 222146913 /nfs/dbraw/zinc/14/69/13/222146913.db2.gz KNUOWMXQFKUJBJ-KRWDZBQOSA-N 1 2 381.436 3.572 50 0 GHAALO Cc1noc([C@@H]2CCC[N@H+]2Cc2cccc(C(=O)Nc3c(C)noc3C)c2)n1 ZINC000067457789 222146914 /nfs/dbraw/zinc/14/69/14/222146914.db2.gz KNUOWMXQFKUJBJ-KRWDZBQOSA-N 1 2 381.436 3.572 50 0 GHAALO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2cccc(C(=O)Nc3cn(C)nn3)c2)no1 ZINC000067688586 222153245 /nfs/dbraw/zinc/15/32/45/222153245.db2.gz GOMSVRYXDKILRR-SFHVURJKSA-N 1 2 394.479 3.516 50 0 GHAALO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2cccc(C(=O)Nc3cn(C)nn3)c2)no1 ZINC000067688586 222153248 /nfs/dbraw/zinc/15/32/48/222153248.db2.gz GOMSVRYXDKILRR-SFHVURJKSA-N 1 2 394.479 3.516 50 0 GHAALO Nc1cc(N2CCc3onc(C(c4ccccc4)c4ccccc4)c3C2)[nH+]cn1 ZINC000067834189 222160761 /nfs/dbraw/zinc/16/07/61/222160761.db2.gz YAIRWPUCYIZLKY-UHFFFAOYSA-N 1 2 383.455 3.790 50 0 GHAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1ccc2occc2c1 ZINC000067947964 222169497 /nfs/dbraw/zinc/16/94/97/222169497.db2.gz XMJBJQFQERIGCA-UHFFFAOYSA-N 1 2 386.455 3.832 50 0 GHAALO Cn1nc(-c2ccccc2Cl)cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000079482050 222304546 /nfs/dbraw/zinc/30/45/46/222304546.db2.gz NOKGEDJHDNPHFE-UHFFFAOYSA-N 1 2 394.906 3.699 50 0 GHAALO Cc1[nH+]ccn1[C@@H](C)C(=O)N1CCC(c2[nH]ncc2-c2ccccc2C)CC1 ZINC000082120435 222310258 /nfs/dbraw/zinc/31/02/58/222310258.db2.gz LZTQFNPUJJSVLQ-INIZCTEOSA-N 1 2 377.492 3.857 50 0 GHAALO O=C(c1ccc(Cl)cc1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095528831 222352809 /nfs/dbraw/zinc/35/28/09/222352809.db2.gz QGRXCGLKKYCBAB-UHFFFAOYSA-N 1 2 380.879 4.000 50 0 GHAALO CC(C)N(Cc1[nH+]ccn1C)C(=O)Nc1ccc(OC[C@@H]2CCCCO2)cc1 ZINC000096165265 222395794 /nfs/dbraw/zinc/39/57/94/222395794.db2.gz IRKSARWQASMYMF-IBGZPJMESA-N 1 2 386.496 3.811 50 0 GHAALO COc1cccc(-c2ccccc2NC(=O)N(C)C[C@@H](C)[NH+]2CCOCC2)c1 ZINC000097679699 222448694 /nfs/dbraw/zinc/44/86/94/222448694.db2.gz OBJVJWWESZLYJK-QGZVFWFLSA-N 1 2 383.492 3.547 50 0 GHAALO CC(C)(CNC(=O)N1CCCCC[C@@H]1c1cccc(F)c1)[NH+]1CCOCC1 ZINC000426477337 527114769 /nfs/dbraw/zinc/11/47/69/527114769.db2.gz FSDMSGJWVRZSKE-LJQANCHMSA-N 1 2 377.504 3.563 50 0 GHAALO CCCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)N1CCC(c2ncon2)CC1 ZINC000426535647 528758809 /nfs/dbraw/zinc/75/88/09/528758809.db2.gz GWQSCUDKAXVTQT-KRWDZBQOSA-N 1 2 381.480 3.729 50 0 GHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)Nc3cccc(OC)c3)C2)nc[nH+]1 ZINC000065245079 535520734 /nfs/dbraw/zinc/52/07/34/535520734.db2.gz XJOLBOSCKLBUDN-INIZCTEOSA-N 1 2 383.496 3.552 50 0 GHAALO CCNc1cc(N2CCC[C@@H](CCC(=O)Nc3cccc(OC)c3)C2)[nH+]cn1 ZINC000065245079 535520741 /nfs/dbraw/zinc/52/07/41/535520741.db2.gz XJOLBOSCKLBUDN-INIZCTEOSA-N 1 2 383.496 3.552 50 0 GHAALO CC[N@@H+]1CCc2nc3sc(C(=O)Nc4cccnc4Cl)c(N)c3cc2C1 ZINC000019853408 570225732 /nfs/dbraw/zinc/22/57/32/570225732.db2.gz LTPOETIHAKXOOQ-UHFFFAOYSA-N 1 2 387.896 3.557 50 0 GHAALO CC[N@H+]1CCc2nc3sc(C(=O)Nc4cccnc4Cl)c(N)c3cc2C1 ZINC000019853408 570225734 /nfs/dbraw/zinc/22/57/34/570225734.db2.gz LTPOETIHAKXOOQ-UHFFFAOYSA-N 1 2 387.896 3.557 50 0 GHAALO CCOc1ccc2ccccc2c1-c1cc(C(=O)N2CC[NH+](C)CC2)ccn1 ZINC000097730068 570252114 /nfs/dbraw/zinc/25/21/14/570252114.db2.gz HGGUSSVGNJMULG-UHFFFAOYSA-N 1 2 375.472 3.688 50 0 GHAALO Cc1nnc(C2CC[NH+](CC(=O)Nc3cccc(Cl)c3Cl)CC2)s1 ZINC000049365843 570263203 /nfs/dbraw/zinc/26/32/03/570263203.db2.gz RAHYDPWSVLJOOO-UHFFFAOYSA-N 1 2 385.320 3.971 50 0 GHAALO COc1cccc(C[N@@H+]2CCN(Cc3cc4ccccc4o3)C[C@@H]2CCO)c1 ZINC000020542019 570267244 /nfs/dbraw/zinc/26/72/44/570267244.db2.gz RXXRCNLSKXFCLM-FQEVSTJZSA-N 1 2 380.488 3.510 50 0 GHAALO COc1cccc(C[N@H+]2CCN(Cc3cc4ccccc4o3)C[C@@H]2CCO)c1 ZINC000020542019 570267247 /nfs/dbraw/zinc/26/72/47/570267247.db2.gz RXXRCNLSKXFCLM-FQEVSTJZSA-N 1 2 380.488 3.510 50 0 GHAALO CC(C)N(C)c1nc(N2CCCCC2)[nH+]c2c1CN(C(=O)c1ccccc1)CC2 ZINC000034678693 570294748 /nfs/dbraw/zinc/29/47/48/570294748.db2.gz IXYTVJPODWASMV-UHFFFAOYSA-N 1 2 393.535 3.510 50 0 GHAALO C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022933191 570337529 /nfs/dbraw/zinc/33/75/29/570337529.db2.gz PYTQOLLGYZOXSY-ZDUSSCGKSA-N 1 2 381.904 3.685 50 0 GHAALO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022933518 570337590 /nfs/dbraw/zinc/33/75/90/570337590.db2.gz XHZKGQNXIGXIRX-OAHLLOKOSA-N 1 2 377.941 3.855 50 0 GHAALO COc1ccc(C[C@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1OC ZINC000023283447 570353613 /nfs/dbraw/zinc/35/36/13/570353613.db2.gz KKCCNJNPHRDMCT-OSICKASQSA-N 1 2 380.532 3.966 50 0 GHAALO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000023381319 570359355 /nfs/dbraw/zinc/35/93/55/570359355.db2.gz IHXVZBWUHOCRCP-DEOSSOPVSA-N 1 2 385.467 3.623 50 0 GHAALO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CCc3ccccc3C2)C1=O ZINC000023381319 570359357 /nfs/dbraw/zinc/35/93/57/570359357.db2.gz IHXVZBWUHOCRCP-DEOSSOPVSA-N 1 2 385.467 3.623 50 0 GHAALO O=C(NCc1ccc2c(c1)OCO2)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575618509 570363318 /nfs/dbraw/zinc/36/33/18/570363318.db2.gz BUVSJJFEJGMEMH-UHFFFAOYSA-N 1 2 390.443 3.937 50 0 GHAALO Cc1cc(=O)[nH]c(-c2ccc(C[N@H+](Cc3ccco3)Cc3cccnc3)cc2)n1 ZINC000023619179 570366802 /nfs/dbraw/zinc/36/68/02/570366802.db2.gz ICYWFRNAHJESOH-UHFFFAOYSA-N 1 2 386.455 3.936 50 0 GHAALO Cc1cc(=O)[nH]c(-c2ccc(C[N@@H+](Cc3ccco3)Cc3cccnc3)cc2)n1 ZINC000023619179 570366804 /nfs/dbraw/zinc/36/68/04/570366804.db2.gz ICYWFRNAHJESOH-UHFFFAOYSA-N 1 2 386.455 3.936 50 0 GHAALO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000023761883 570372005 /nfs/dbraw/zinc/37/20/05/570372005.db2.gz QGJXJXQCLPMZSU-DNVCBOLYSA-N 1 2 392.421 3.897 50 0 GHAALO Cc1cc(C)c(N2CC[C@H](Nc3ccccc3C[NH+]3CCOCC3)C2=O)c(C)c1 ZINC000190809433 570372963 /nfs/dbraw/zinc/37/29/63/570372963.db2.gz BYKXMMQCZJSXQF-QFIPXVFZSA-N 1 2 393.531 3.661 50 0 GHAALO COc1cccc([C@H](NC(=O)c2ccc3ncsc3c2)c2[nH+]ccn2C)c1 ZINC000024017574 570376945 /nfs/dbraw/zinc/37/69/45/570376945.db2.gz VBKUZDFKAOYRGQ-SFHVURJKSA-N 1 2 378.457 3.558 50 0 GHAALO c1sc(-c2ccccc2)nc1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022781237 570377250 /nfs/dbraw/zinc/37/72/50/570377250.db2.gz WKVZHQAPYQWYGK-UHFFFAOYSA-N 1 2 393.512 3.857 50 0 GHAALO Cc1ccc2c(CC(=O)NCc3ccccc3C[NH+]3CCOCC3)coc2c1C ZINC000024045690 570377686 /nfs/dbraw/zinc/37/76/86/570377686.db2.gz CKHCTZXHWRQSBH-UHFFFAOYSA-N 1 2 392.499 3.741 50 0 GHAALO Cc1cccnc1C[NH+]1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1 ZINC000221201715 570391805 /nfs/dbraw/zinc/39/18/05/570391805.db2.gz NAFDRLLLOUJWGL-UHFFFAOYSA-N 1 2 377.444 3.733 50 0 GHAALO COc1ccc(OC)c(NC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000033131228 570401924 /nfs/dbraw/zinc/40/19/24/570401924.db2.gz WNGNYZMOUYMONT-UHFFFAOYSA-N 1 2 384.480 3.801 50 0 GHAALO CCc1ccc(-c2noc(C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)n2)cc1 ZINC000025105791 570406262 /nfs/dbraw/zinc/40/62/62/570406262.db2.gz QQPBYQJMHGUOBJ-UHFFFAOYSA-N 1 2 379.460 3.875 50 0 GHAALO CCc1ccc(-c2noc(C[N@H+]3CCc4cc(OC)c(OC)cc4C3)n2)cc1 ZINC000025105791 570406263 /nfs/dbraw/zinc/40/62/63/570406263.db2.gz QQPBYQJMHGUOBJ-UHFFFAOYSA-N 1 2 379.460 3.875 50 0 GHAALO CC[N@@H+](Cc1cc(=O)oc2cc(C)c(C)cc12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000025500380 570414993 /nfs/dbraw/zinc/41/49/93/570414993.db2.gz YDUAKOMOLBDUCG-UHFFFAOYSA-N 1 2 389.455 3.668 50 0 GHAALO CC[N@H+](Cc1cc(=O)oc2cc(C)c(C)cc12)Cc1nc2ccccc2c(=O)[nH]1 ZINC000025500380 570414994 /nfs/dbraw/zinc/41/49/94/570414994.db2.gz YDUAKOMOLBDUCG-UHFFFAOYSA-N 1 2 389.455 3.668 50 0 GHAALO CCCNC(=O)[C@@H](C)Sc1nc(N)c(-c2ccc(Cl)cc2)c(CC)[nH+]1 ZINC000027070983 570431632 /nfs/dbraw/zinc/43/16/32/570431632.db2.gz RJJGCAHNGPRXTM-LLVKDONJSA-N 1 2 378.929 3.948 50 0 GHAALO Cc1cc(NC(=O)[C@H](c2ccccc2)[N@H+](C)Cc2ccc3c(c2)OCCO3)no1 ZINC000027354746 570433453 /nfs/dbraw/zinc/43/34/53/570433453.db2.gz AUXYPAFSEYDJAT-NRFANRHFSA-N 1 2 393.443 3.566 50 0 GHAALO Cc1cc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2ccc3c(c2)OCCO3)no1 ZINC000027354746 570433457 /nfs/dbraw/zinc/43/34/57/570433457.db2.gz AUXYPAFSEYDJAT-NRFANRHFSA-N 1 2 393.443 3.566 50 0 GHAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000006704092 570489494 /nfs/dbraw/zinc/48/94/94/570489494.db2.gz JIKBKBPMHYDDFC-UHFFFAOYSA-N 1 2 379.504 3.624 50 0 GHAALO COc1cccc(N2CC[NH+](Cc3nnc(-c4ccccc4Cl)o3)CC2)c1 ZINC000030963865 570502386 /nfs/dbraw/zinc/50/23/86/570502386.db2.gz XRJFZLRZCUBVMX-UHFFFAOYSA-N 1 2 384.867 3.721 50 0 GHAALO Cc1ccc2nc3c(c(C(=O)NCc4ccc(-n5cc[nH+]c5)nc4)c2c1)CCCC3 ZINC000225503974 570581037 /nfs/dbraw/zinc/58/10/37/570581037.db2.gz UYZGSZPJUFMADS-UHFFFAOYSA-N 1 2 397.482 3.933 50 0 GHAALO CCC[N@@H+](CC(=O)Nc1nc(C)no1)[C@H](C)c1ccccc1Br ZINC000225675901 570601309 /nfs/dbraw/zinc/60/13/09/570601309.db2.gz KCXONWTYLDIUKM-LLVKDONJSA-N 1 2 381.274 3.552 50 0 GHAALO CCC[N@H+](CC(=O)Nc1nc(C)no1)[C@H](C)c1ccccc1Br ZINC000225675901 570601305 /nfs/dbraw/zinc/60/13/05/570601305.db2.gz KCXONWTYLDIUKM-LLVKDONJSA-N 1 2 381.274 3.552 50 0 GHAALO CCc1[nH+]c(C)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1cccc(C)c1 ZINC000006832995 570636545 /nfs/dbraw/zinc/63/65/45/570636545.db2.gz SQHFQVKQUFSPDA-UHFFFAOYSA-N 1 2 380.536 3.551 50 0 GHAALO CC1(C)C[C@H](NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2O1 ZINC000044918589 570643451 /nfs/dbraw/zinc/64/34/51/570643451.db2.gz CTLBWYCNFWPFBB-FQEVSTJZSA-N 1 2 380.488 3.551 50 0 GHAALO COC(=O)c1ccc(CSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000004601801 570654175 /nfs/dbraw/zinc/65/41/75/570654175.db2.gz FRZYSDLETQETPA-UHFFFAOYSA-N 1 2 376.441 3.894 50 0 GHAALO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCN(c2ccccn2)CC1 ZINC000006881833 570677497 /nfs/dbraw/zinc/67/74/97/570677497.db2.gz ZEQNORVIEKLXOV-ZDUSSCGKSA-N 1 2 379.291 3.538 50 0 GHAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1C(F)(F)F ZINC000055562693 570696808 /nfs/dbraw/zinc/69/68/08/570696808.db2.gz XRQPZILIOOUMMO-UHFFFAOYSA-N 1 2 381.373 3.605 50 0 GHAALO COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000004623951 570701107 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C[C@H]1C[NH+](Cc2ccc(Cn3c(=O)c4ccccc4[nH]c3=S)cc2)C[C@H](C)O1 ZINC000032831170 570844929 /nfs/dbraw/zinc/84/49/29/570844929.db2.gz CZELOAXRGWFFPW-HOTGVXAUSA-N 1 2 395.528 3.717 50 0 GHAALO Cc1ccc(CCC2CCN(c3cc(N4CCC[C@H]4CO)nc[nH+]3)CC2)cc1 ZINC000170624611 570880558 /nfs/dbraw/zinc/88/05/58/570880558.db2.gz IGTIOONPKDILME-NRFANRHFSA-N 1 2 380.536 3.595 50 0 GHAALO Cc1ccc(CCC2CCN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)CC2)cc1 ZINC000170624611 570880562 /nfs/dbraw/zinc/88/05/62/570880562.db2.gz IGTIOONPKDILME-NRFANRHFSA-N 1 2 380.536 3.595 50 0 GHAALO CC(C)[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000032889657 570888972 /nfs/dbraw/zinc/88/89/72/570888972.db2.gz JXWQXMJYWAVLRE-JOCHJYFZSA-N 1 2 399.510 3.854 50 0 GHAALO CC(C)c1ccc(-c2cccc(C(=O)N[C@@H](c3[nH+]ccn3C)C3CC3)c2)nn1 ZINC000299778227 570895190 /nfs/dbraw/zinc/89/51/90/570895190.db2.gz MFZTWVPKRPSRRM-HXUWFJFHSA-N 1 2 375.476 3.882 50 0 GHAALO CCCN(Cc1[nH+]ccn1C)C(=O)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000299784089 570895451 /nfs/dbraw/zinc/89/54/51/570895451.db2.gz FNBKQPJPHWIQLN-UHFFFAOYSA-N 1 2 386.887 3.762 50 0 GHAALO COC(=O)c1c2c(sc1NC(=O)c1ccco1)C[N@@H+](Cc1ccccc1)CC2 ZINC000023153745 570919678 /nfs/dbraw/zinc/91/96/78/570919678.db2.gz FSZCHNYOHLGRMK-UHFFFAOYSA-N 1 2 396.468 3.938 50 0 GHAALO COC(=O)c1c2c(sc1NC(=O)c1ccco1)C[N@H+](Cc1ccccc1)CC2 ZINC000023153745 570919682 /nfs/dbraw/zinc/91/96/82/570919682.db2.gz FSZCHNYOHLGRMK-UHFFFAOYSA-N 1 2 396.468 3.938 50 0 GHAALO O=C(c1cc(C2CC2)n[nH]1)N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000032031616 570934888 /nfs/dbraw/zinc/93/48/88/570934888.db2.gz RMOVPTZJHZRRNW-UHFFFAOYSA-N 1 2 392.528 3.974 50 0 GHAALO C[N@H+](Cc1nc(-c2ccco2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108339417 570987735 /nfs/dbraw/zinc/98/77/35/570987735.db2.gz PBVAIXKIINJLRL-CJNGLKHVSA-N 1 2 380.231 3.727 50 0 GHAALO C[N@@H+](Cc1nc(-c2ccco2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108339417 570987736 /nfs/dbraw/zinc/98/77/36/570987736.db2.gz PBVAIXKIINJLRL-CJNGLKHVSA-N 1 2 380.231 3.727 50 0 GHAALO FC(F)(F)c1cc(NCc2cccnc2-n2cc[nH+]c2)nc(-c2cccnc2)n1 ZINC000116870310 571003738 /nfs/dbraw/zinc/00/37/38/571003738.db2.gz JUHOAKLDJCEUFC-UHFFFAOYSA-N 1 2 397.364 3.750 50 0 GHAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000092099915 571045331 /nfs/dbraw/zinc/04/53/31/571045331.db2.gz XBBGMYXHUWPRRJ-UHFFFAOYSA-N 1 2 379.435 3.759 50 0 GHAALO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000043948539 571048633 /nfs/dbraw/zinc/04/86/33/571048633.db2.gz ZPDFEKLYZMOEEB-ZDUSSCGKSA-N 1 2 394.500 3.598 50 0 GHAALO Cn1ncc2c1nc[nH+]c2SCc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000011495087 571048966 /nfs/dbraw/zinc/04/89/66/571048966.db2.gz RUIPVVDLMPOJEZ-UHFFFAOYSA-N 1 2 397.533 3.511 50 0 GHAALO O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095368257 571059545 /nfs/dbraw/zinc/05/95/45/571059545.db2.gz LCRKRBQLCAYMPO-SFHVURJKSA-N 1 2 380.879 4.000 50 0 GHAALO Cc1ccc(C2(NC(=O)N(CCCn3cc[nH+]c3)Cc3ccncc3)CC2)cc1 ZINC000584894873 841188392 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O=C(NC[C@@H]1Cn2cccc2C[N@@H+]1Cc1ccccc1)c1c[nH]c2ccccc12 ZINC000257191184 860015946 /nfs/dbraw/zinc/01/59/46/860015946.db2.gz PLTDMXGXLIJQSM-HXUWFJFHSA-N 1 2 384.483 3.784 50 0 GHAALO O=C(NC[C@@H]1Cn2cccc2C[N@H+]1Cc1ccccc1)c1c[nH]c2ccccc12 ZINC000257191184 860015959 /nfs/dbraw/zinc/01/59/59/860015959.db2.gz PLTDMXGXLIJQSM-HXUWFJFHSA-N 1 2 384.483 3.784 50 0 GHAALO Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000095468022 860594774 /nfs/dbraw/zinc/59/47/74/860594774.db2.gz OTFXYIVIPDKGMJ-HXUWFJFHSA-N 1 2 387.443 3.532 50 0 GHAALO CC[N@H+](CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21)Cc1ccccn1 ZINC000125338664 860641252 /nfs/dbraw/zinc/64/12/52/860641252.db2.gz KHCQONIBNLXPKD-UHFFFAOYSA-N 1 2 392.528 3.925 50 0 GHAALO CC[N@@H+](CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21)Cc1ccccn1 ZINC000125338664 860641257 /nfs/dbraw/zinc/64/12/57/860641257.db2.gz KHCQONIBNLXPKD-UHFFFAOYSA-N 1 2 392.528 3.925 50 0 GHAALO CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2csc(C(C)C)n2)C1 ZINC000096000032 860742741 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382.895 3.871 50 0 GHAALO Cc1cc(Cl)cc2cc(C(=O)N3CC[N@H+](Cc4cccnc4)C[C@@H]3C)[nH]c21 ZINC000585083098 897068338 /nfs/dbraw/zinc/06/83/38/897068338.db2.gz PFTOWWNSCUZLEQ-HNNXBMFYSA-N 1 2 382.895 3.871 50 0 GHAALO COc1ccc(-n2ccnc2CN[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000952987318 904673941 /nfs/dbraw/zinc/67/39/41/904673941.db2.gz LHOSSJXTQFOSSN-QGZVFWFLSA-N 1 2 382.533 3.697 50 0 GHAALO COc1ccc(-n2ccnc2CN[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000952987318 904673950 /nfs/dbraw/zinc/67/39/50/904673950.db2.gz LHOSSJXTQFOSSN-QGZVFWFLSA-N 1 2 382.533 3.697 50 0 GHAALO Cc1ccc(-c2noc(CCC(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)n2)cc1F ZINC000078737297 923468448 /nfs/dbraw/zinc/46/84/48/923468448.db2.gz FPKXSUDSSQRTDG-QGZVFWFLSA-N 1 2 399.470 3.544 50 0 GHAALO Cc1cc(C)c(CNC(=O)c2ccc(-c3ccc(OC(C)C)nn3)cc2)c[nH+]1 ZINC000426596625 231245405 /nfs/dbraw/zinc/24/54/05/231245405.db2.gz PYYYKPQZLXEZAJ-UHFFFAOYSA-N 1 2 376.460 3.873 50 0 GHAALO Cc1[nH+]c2ccccc2n1[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000000825256 212185833 /nfs/dbraw/zinc/18/58/33/212185833.db2.gz GTZWHTRCZMLDEQ-MRXNPFEDSA-N 1 2 384.233 3.612 50 0 GHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCSCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000244947563 212132801 /nfs/dbraw/zinc/13/28/01/212132801.db2.gz DMFTXRDEANJMMN-QQABJKMWSA-N 1 2 389.565 3.638 50 0 GHAALO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)on1 ZINC000007684389 221006022 /nfs/dbraw/zinc/00/60/22/221006022.db2.gz XHYIQSGFBQQYLM-MRXNPFEDSA-N 1 2 399.491 3.909 50 0 GHAALO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)on1 ZINC000007684389 221006025 /nfs/dbraw/zinc/00/60/25/221006025.db2.gz XHYIQSGFBQQYLM-MRXNPFEDSA-N 1 2 399.491 3.909 50 0 GHAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)c(F)c2)c(OC)c1 ZINC000007719580 221008255 /nfs/dbraw/zinc/00/82/55/221008255.db2.gz WMYPJIDTEUEOKA-GOSISDBHSA-N 1 2 376.403 3.758 50 0 GHAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)c(F)c2)c(OC)c1 ZINC000007719580 221008258 /nfs/dbraw/zinc/00/82/58/221008258.db2.gz 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Cc1cc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)[nH]n1 ZINC000011662154 221118549 /nfs/dbraw/zinc/11/85/49/221118549.db2.gz AVYBYZLSAPVTJZ-NRFANRHFSA-N 1 2 391.475 3.899 50 0 GHAALO COc1ccc2[nH]c(CCNC(=O)c3ccc4oc(C(C)C)nc4c3)[nH+]c2c1 ZINC000012301658 221178168 /nfs/dbraw/zinc/17/81/68/221178168.db2.gz NRIPAONWORWSOD-UHFFFAOYSA-N 1 2 378.432 3.809 50 0 GHAALO COc1ccc([C@@H](NC(=O)Cn2c(C)cc3ccccc32)c2[nH+]ccn2C)cc1 ZINC000012506884 221200326 /nfs/dbraw/zinc/20/03/26/221200326.db2.gz ALQYGYCKXBTKBD-JOCHJYFZSA-N 1 2 388.471 3.598 50 0 GHAALO C[C@@H](NC(=O)CSc1ccc2c(c1)OCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012507549 221200581 /nfs/dbraw/zinc/20/05/81/221200581.db2.gz BQTLFYHWIOIFQS-OAHLLOKOSA-N 1 2 395.484 3.613 50 0 GHAALO COc1ccc(C)cc1CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000012550145 221204881 /nfs/dbraw/zinc/20/48/81/221204881.db2.gz YSAIWJCTQYMTKD-HXUWFJFHSA-N 1 2 383.879 3.839 50 0 GHAALO Cc1ccc(Cl)c(OCC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c1 ZINC000012578362 221209783 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CCCCN(C)C(=O)c1nc2ccccn2c1C[N@H+]1CCOc2ccccc2C1 ZINC000015077813 221332926 /nfs/dbraw/zinc/33/29/26/221332926.db2.gz SSELOJIFQZBNNI-UHFFFAOYSA-N 1 2 392.503 3.601 50 0 GHAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)c(OC)c1 ZINC000015063011 221328344 /nfs/dbraw/zinc/32/83/44/221328344.db2.gz WFYLJSKSHNFTRZ-HNNXBMFYSA-N 1 2 379.460 3.675 50 0 GHAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)c(OC)c1 ZINC000015063011 221328347 /nfs/dbraw/zinc/32/83/47/221328347.db2.gz WFYLJSKSHNFTRZ-HNNXBMFYSA-N 1 2 379.460 3.675 50 0 GHAALO CC(=O)c1cc(C(=O)NCc2ccc[nH+]c2N(C)Cc2ccccc2)cs1 ZINC000015073992 221331034 /nfs/dbraw/zinc/33/10/34/221331034.db2.gz VSMOYUBHOHHTHD-UHFFFAOYSA-N 1 2 379.485 3.912 50 0 GHAALO Cc1cccc(S(=O)(=O)Nc2ccc(Nc3nc(N(C)C)cc(C)[nH+]3)cc2)c1 ZINC000017135501 221380048 /nfs/dbraw/zinc/38/00/48/221380048.db2.gz BYFDCRUVPAJVSA-UHFFFAOYSA-N 1 2 397.504 3.704 50 0 GHAALO COc1ccc2cc([C@H](C)NC(=O)N(C)CCCc3[nH+]ccn3C)ccc2c1 ZINC000426490108 533337368 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GHAALO Clc1ccc(OCc2nn3c(C[NH+]4CCCCCC4)nnc3s2)cc1 ZINC000049545945 222000857 /nfs/dbraw/zinc/00/08/57/222000857.db2.gz LOQXAOTTZZPMKM-UHFFFAOYSA-N 1 2 377.901 3.794 50 0 GHAALO COc1cccc(N2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)c1 ZINC000055142216 222015362 /nfs/dbraw/zinc/01/53/62/222015362.db2.gz LCHUJIZXVZUJPJ-UHFFFAOYSA-N 1 2 379.273 3.919 50 0 GHAALO Cc1oc(-c2ccsc2)nc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCC(=O)N1 ZINC000055107667 222016891 /nfs/dbraw/zinc/01/68/91/222016891.db2.gz AKCQWQYUQKKJEP-SFHVURJKSA-N 1 2 381.501 3.992 50 0 GHAALO Cc1oc(-c2ccsc2)nc1C[N@H+](Cc1ccccc1)C[C@@H]1CCC(=O)N1 ZINC000055107667 222016893 /nfs/dbraw/zinc/01/68/93/222016893.db2.gz AKCQWQYUQKKJEP-SFHVURJKSA-N 1 2 381.501 3.992 50 0 GHAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)c(C)c1 ZINC000065034893 222096975 /nfs/dbraw/zinc/09/69/75/222096975.db2.gz ASUWPCGBRPBHKM-UHFFFAOYSA-N 1 2 389.499 3.759 50 0 GHAALO Cc1ccc(NC(=O)C[N@H+]2CCc3[nH]c4c(C)c(C)ccc4c(=O)c3C2)c(C)c1 ZINC000065034893 222096977 /nfs/dbraw/zinc/09/69/77/222096977.db2.gz ASUWPCGBRPBHKM-UHFFFAOYSA-N 1 2 389.499 3.759 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)nc[nH+]1 ZINC000065274192 222120782 /nfs/dbraw/zinc/12/07/82/222120782.db2.gz VVLSHMADYASBOD-UHFFFAOYSA-N 1 2 395.551 3.954 50 0 GHAALO CCCNc1cc(N2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)[nH+]cn1 ZINC000065274192 222120786 /nfs/dbraw/zinc/12/07/86/222120786.db2.gz VVLSHMADYASBOD-UHFFFAOYSA-N 1 2 395.551 3.954 50 0 GHAALO COc1cccc(NC(=O)CCC2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)c1 ZINC000065274158 222121036 /nfs/dbraw/zinc/12/10/36/222121036.db2.gz NMDDFZJXCPAZPI-UHFFFAOYSA-N 1 2 395.507 3.695 50 0 GHAALO COc1cccc(NC(=O)CCC2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)c1 ZINC000065274158 222121042 /nfs/dbraw/zinc/12/10/42/222121042.db2.gz NMDDFZJXCPAZPI-UHFFFAOYSA-N 1 2 395.507 3.695 50 0 GHAALO Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2CCSc2nc[nH]n2)n1 ZINC000065410983 222128369 /nfs/dbraw/zinc/12/83/69/222128369.db2.gz WZQYVFQPRZCVGV-UHFFFAOYSA-N 1 2 393.520 3.517 50 0 GHAALO Cn1cc[nH+]c1CN(C(=O)c1csc2nc(-c3ccccc3F)cn12)C1CC1 ZINC000067432246 222147205 /nfs/dbraw/zinc/14/72/05/222147205.db2.gz DFHOFAWGBSMGRW-UHFFFAOYSA-N 1 2 395.463 3.740 50 0 GHAALO Cc1ccc(-c2nccn2C[C@@H](c2ccccn2)[NH+]2CCOCC2)c(C)c1F ZINC000071748570 222190307 /nfs/dbraw/zinc/19/03/07/222190307.db2.gz KOEYWXMYRAUXBX-FQEVSTJZSA-N 1 2 380.467 3.775 50 0 GHAALO C[N@H+](Cc1ccno1)Cc1cccc(C(=O)Nc2ccc3c(c2)CCC3=O)c1 ZINC000067833603 222160522 /nfs/dbraw/zinc/16/05/22/222160522.db2.gz MLJJCEXDFUAMLH-UHFFFAOYSA-N 1 2 375.428 3.688 50 0 GHAALO C[N@@H+](Cc1ccno1)Cc1cccc(C(=O)Nc2ccc3c(c2)CCC3=O)c1 ZINC000067833603 222160525 /nfs/dbraw/zinc/16/05/25/222160525.db2.gz MLJJCEXDFUAMLH-UHFFFAOYSA-N 1 2 375.428 3.688 50 0 GHAALO CC(C)(C)c1ncc2c(n1)CN(c1cc(Sc3cccs3)[nH+]c(N)n1)C2 ZINC000067883635 222164579 /nfs/dbraw/zinc/16/45/79/222164579.db2.gz NONRKHSEAFFYKS-UHFFFAOYSA-N 1 2 384.534 3.879 50 0 GHAALO Cc1ccc(-c2ccnc(NCc3csc(-c4ncccn4)n3)n2)c(C)[nH+]1 ZINC000071498928 222185315 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50 0 GHAALO O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095525116 222349547 /nfs/dbraw/zinc/34/95/47/222349547.db2.gz VCFQOJHWGJMFFZ-LJQANCHMSA-N 1 2 385.471 3.828 50 0 GHAALO O=C(c1cccc(Cl)c1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095526111 222350643 /nfs/dbraw/zinc/35/06/43/222350643.db2.gz XXFUVHMZRJRQBT-SFHVURJKSA-N 1 2 380.879 4.000 50 0 GHAALO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC000095526583 222351753 /nfs/dbraw/zinc/35/17/53/222351753.db2.gz KAXXSGGYHROBTG-SFHVURJKSA-N 1 2 375.856 3.584 50 0 GHAALO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC000095526583 222351755 /nfs/dbraw/zinc/35/17/55/222351755.db2.gz KAXXSGGYHROBTG-SFHVURJKSA-N 1 2 375.856 3.584 50 0 GHAALO O=C(CCc1cccs1)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000095528585 222353339 /nfs/dbraw/zinc/35/33/39/222353339.db2.gz HFYMKEXTTVMYFF-UHFFFAOYSA-N 1 2 386.546 3.788 50 0 GHAALO CC(C)Cc1nnc([C@@H](C)N2CC[NH+](CCOc3ccccc3Cl)CC2)o1 ZINC000095958270 222363628 /nfs/dbraw/zinc/36/36/28/222363628.db2.gz MYCFTAWKXSZJJR-MRXNPFEDSA-N 1 2 392.931 3.679 50 0 GHAALO COc1ccccc1[C@H](C)[NH+]1CCN(C(=O)c2ncoc2-c2ccccc2)CC1 ZINC000095958362 222363787 /nfs/dbraw/zinc/36/37/87/222363787.db2.gz NPBQROMFIOXYKX-KRWDZBQOSA-N 1 2 391.471 3.869 50 0 GHAALO CCCc1c[nH+]c(C)nc1N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 ZINC000092065001 535436765 /nfs/dbraw/zinc/43/67/65/535436765.db2.gz ZPESMZABCHUTQL-UHFFFAOYSA-N 1 2 393.535 3.542 50 0 GHAALO CCc1[nH+]c2cc(NC(=O)N(C)[C@@H](COC)c3ccccn3)ccc2n1CC ZINC000096140762 570213080 /nfs/dbraw/zinc/21/30/80/570213080.db2.gz VNBFEOJEJGDBRC-IBGZPJMESA-N 1 2 381.480 3.865 50 0 GHAALO COc1cc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cc(OC)c1OC ZINC000019782030 570218523 /nfs/dbraw/zinc/21/85/23/570218523.db2.gz JUQDCIYAZNETLX-UHFFFAOYSA-N 1 2 390.911 3.684 50 0 GHAALO COc1cc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)cc(OC)c1OC ZINC000019782030 570218524 /nfs/dbraw/zinc/21/85/24/570218524.db2.gz JUQDCIYAZNETLX-UHFFFAOYSA-N 1 2 390.911 3.684 50 0 GHAALO CCOc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C[N@@H+](CC)CC3 ZINC000020289941 570251403 /nfs/dbraw/zinc/25/14/03/570251403.db2.gz IPWAOSPOOTXGRU-UHFFFAOYSA-N 1 2 396.516 3.908 50 0 GHAALO CCOc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C[N@H+](CC)CC3 ZINC000020289941 570251406 /nfs/dbraw/zinc/25/14/06/570251406.db2.gz IPWAOSPOOTXGRU-UHFFFAOYSA-N 1 2 396.516 3.908 50 0 GHAALO Fc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000020536543 570266185 /nfs/dbraw/zinc/26/61/85/570266185.db2.gz YKWHFRURSCTLOK-KRWDZBQOSA-N 1 2 389.465 3.891 50 0 GHAALO Fc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000020536543 570266187 /nfs/dbraw/zinc/26/61/87/570266187.db2.gz YKWHFRURSCTLOK-KRWDZBQOSA-N 1 2 389.465 3.891 50 0 GHAALO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2C[C@H]3OC(=O)N(C4CCCC4)[C@H]3C2)c1 ZINC000020994689 570286362 /nfs/dbraw/zinc/28/63/62/570286362.db2.gz VPQKSCJOPWIIMK-VQTJNVASSA-N 1 2 380.492 3.641 50 0 GHAALO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2C[C@H]3OC(=O)N(C4CCCC4)[C@H]3C2)c1 ZINC000020994689 570286365 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CCCCc1[nH+]c2ccccc2n1C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000023387568 570360169 /nfs/dbraw/zinc/36/01/69/570360169.db2.gz PKSQCHMLFAEMRU-KRWDZBQOSA-N 1 2 382.460 3.685 50 0 GHAALO O=C(NC1Cc2ccccc2C1)c1ccc([C@H]2CCCN2Cc2[nH]cc[nH+]2)s1 ZINC000023429395 570362194 /nfs/dbraw/zinc/36/21/94/570362194.db2.gz KYIMUVOQMGQBHN-GOSISDBHSA-N 1 2 392.528 3.706 50 0 GHAALO COc1ccccc1Nc1ncccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000023609004 570366903 /nfs/dbraw/zinc/36/69/03/570366903.db2.gz KXEOUKUTKWJWRW-UHFFFAOYSA-N 1 2 395.488 3.531 50 0 GHAALO COc1ccccc1Nc1ncccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000023609004 570366905 /nfs/dbraw/zinc/36/69/05/570366905.db2.gz KXEOUKUTKWJWRW-UHFFFAOYSA-N 1 2 395.488 3.531 50 0 GHAALO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000024840921 570395685 /nfs/dbraw/zinc/39/56/85/570395685.db2.gz QRPJFXMHDTZALD-CYBMUJFWSA-N 1 2 398.334 3.655 50 0 GHAALO CCCCc1noc(CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000025057259 570404752 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GHAALO CC[N@@H+](CCCNC(=O)CSCC(=O)Nc1cccc(C)c1)c1ccccc1 ZINC000036624963 570767612 /nfs/dbraw/zinc/76/76/12/570767612.db2.gz GLHVZHDSLDRCAF-UHFFFAOYSA-N 1 2 399.560 3.700 50 0 GHAALO CCCC(=O)N(CCC[NH+]1CCOCC1)c1nc2ccc(CC)cc2s1 ZINC000022997604 570775167 /nfs/dbraw/zinc/77/51/67/570775167.db2.gz VWPDEQOHMGHYBU-UHFFFAOYSA-N 1 2 375.538 3.714 50 0 GHAALO Cc1ccc(CCNC(=O)[C@@H]2CCCN(c3[nH]c4ccc(C)cc4[nH+]3)C2)cc1 ZINC000033072035 570803807 /nfs/dbraw/zinc/80/38/07/570803807.db2.gz HZXPRZHGZGZYES-LJQANCHMSA-N 1 2 376.504 3.755 50 0 GHAALO Cc1ccc(CCNC(=O)[C@@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)cc1 ZINC000033072035 570803809 /nfs/dbraw/zinc/80/38/09/570803809.db2.gz HZXPRZHGZGZYES-LJQANCHMSA-N 1 2 376.504 3.755 50 0 GHAALO c1ccc(-n2c(C[NH+]3CCCC3)nnc2Sc2cnc3ccccc3n2)cc1 ZINC000041873273 570828733 /nfs/dbraw/zinc/82/87/33/570828733.db2.gz ZDZSHJBKHKNTIB-UHFFFAOYSA-N 1 2 388.500 3.958 50 0 GHAALO Cc1ccc(NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)cc1 ZINC000065245169 570863447 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GHAALO CCN1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=S)Nc2ccccc2)CC1 ZINC000022457019 570896514 /nfs/dbraw/zinc/89/65/14/570896514.db2.gz KRADHUQCGOYLCW-LPHOPBHVSA-N 1 2 388.606 3.802 50 0 GHAALO CC(C)(C)c1ccc(C[N@@H+]2CCn3nc(CNc4ncccn4)cc3C2)cc1 ZINC000299791620 570896668 /nfs/dbraw/zinc/89/66/68/570896668.db2.gz DNJLUBMOAUBQDG-UHFFFAOYSA-N 1 2 376.508 3.599 50 0 GHAALO CC(C)(C)c1ccc(C[N@H+]2CCn3nc(CNc4ncccn4)cc3C2)cc1 ZINC000299791620 570896669 /nfs/dbraw/zinc/89/66/69/570896669.db2.gz DNJLUBMOAUBQDG-UHFFFAOYSA-N 1 2 376.508 3.599 50 0 GHAALO Cc1ccc2c(COC(=O)[C@@H]3CCCC[N@@H+]3Cc3cccnc3)cc(=O)oc2c1 ZINC000097164521 570901092 /nfs/dbraw/zinc/90/10/92/570901092.db2.gz RZCQTVMAYWMDJA-FQEVSTJZSA-N 1 2 392.455 3.594 50 0 GHAALO Cc1ccc2c(COC(=O)[C@@H]3CCCC[N@H+]3Cc3cccnc3)cc(=O)oc2c1 ZINC000097164521 570901095 /nfs/dbraw/zinc/90/10/95/570901095.db2.gz RZCQTVMAYWMDJA-FQEVSTJZSA-N 1 2 392.455 3.594 50 0 GHAALO COc1ccc(-n2ccc(C(=O)Nc3ccc4c(c3)[nH+]c(C3CC3)n4C)n2)cc1 ZINC000089745635 570911175 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Cc1cccn2cc(C[S@@](=O)Cc3noc(-c4ccc(Cl)cc4)n3)[nH+]c12 ZINC000176511238 881385757 /nfs/dbraw/zinc/38/57/57/881385757.db2.gz RSFKTZIUVPCXAA-AREMUKBSSA-N 1 2 386.864 3.795 50 0 GHAALO CCOc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccccc4F)CC3)c2c1 ZINC000020463679 860580890 /nfs/dbraw/zinc/58/08/90/860580890.db2.gz AUEUSOYHQTVYGA-UHFFFAOYSA-N 1 2 396.462 3.649 50 0 GHAALO COc1ccccc1C(=O)NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000020902046 860669972 /nfs/dbraw/zinc/66/99/72/860669972.db2.gz NTEJXWPJQILBEK-JOCHJYFZSA-N 1 2 387.483 3.620 50 0 GHAALO COc1ccccc1C(=O)NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000020902046 860669974 /nfs/dbraw/zinc/66/99/74/860669974.db2.gz NTEJXWPJQILBEK-JOCHJYFZSA-N 1 2 387.483 3.620 50 0 GHAALO Cc1ccc(Nc2cc(N3CCN(C(=O)c4cccs4)CC3)[nH+]c(C)n2)cc1 ZINC000021793981 860941902 /nfs/dbraw/zinc/94/19/02/860941902.db2.gz NHKCGXXTJNAJAU-UHFFFAOYSA-N 1 2 393.516 3.861 50 0 GHAALO COc1ccc(C(=O)N2CCC[C@H](n3c(C)c[nH+]c3-c3ccncc3)C2)cc1F ZINC000581806831 870036969 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C[C@@H]1CCc2c(sc3ncnc(Sc4nnc(C[NH+]5CCCC5)o4)c23)C1 ZINC000008201043 221031031 /nfs/dbraw/zinc/03/10/31/221031031.db2.gz NFWBGJXYJUKMDZ-LLVKDONJSA-N 1 2 387.534 3.946 50 0 GHAALO Fc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccccc2Cn2cccn2)cc1 ZINC000009478585 221082683 /nfs/dbraw/zinc/08/26/83/221082683.db2.gz BWDVNGGWHHLMRX-UHFFFAOYSA-N 1 2 399.433 3.812 50 0 GHAALO C[C@H](NC(=O)CSc1ncnc2sccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009753285 221092142 /nfs/dbraw/zinc/09/21/42/221092142.db2.gz KKVKCKQWVTXQAQ-ZDUSSCGKSA-N 1 2 395.513 3.847 50 0 GHAALO COc1ccc(NC(=O)c2ccc(OCc3cn4cccc(C)c4[nH+]3)cc2)cn1 ZINC000011557846 221117005 /nfs/dbraw/zinc/11/70/05/221117005.db2.gz MNMLCQFFNJENCF-UHFFFAOYSA-N 1 2 388.427 3.878 50 0 GHAALO COc1ccc(/C=C/C[N@H+](C)Cc2nnc(SCc3ccncc3)n2C)cc1 ZINC000012152658 221160609 /nfs/dbraw/zinc/16/06/09/221160609.db2.gz WDJQIVCCRBGSCU-SNAWJCMRSA-N 1 2 395.532 3.656 50 0 GHAALO COc1ccc(/C=C/C[N@@H+](C)Cc2nnc(SCc3ccncc3)n2C)cc1 ZINC000012152658 221160613 /nfs/dbraw/zinc/16/06/13/221160613.db2.gz WDJQIVCCRBGSCU-SNAWJCMRSA-N 1 2 395.532 3.656 50 0 GHAALO CCc1ccc(-c2cn3c(C(=O)N(C)CCn4cc[nH+]c4)csc3n2)cc1 ZINC000012302397 221177813 /nfs/dbraw/zinc/17/78/13/221177813.db2.gz OXICXEZZPRZPBO-UHFFFAOYSA-N 1 2 379.489 3.594 50 0 GHAALO O=C1c2ccccc2N[C@H](c2cccc(Cl)c2)N1CCC[NH+]1CCOCC1 ZINC000012608797 221214052 /nfs/dbraw/zinc/21/40/52/221214052.db2.gz ABXICPPDDJEODU-FQEVSTJZSA-N 1 2 385.895 3.629 50 0 GHAALO CC(C)c1ccc(-c2nc(C(=O)NCC(C)(C)[NH+]3CCOCC3)cs2)cc1 ZINC000012822696 221237481 /nfs/dbraw/zinc/23/74/81/221237481.db2.gz KDPCSDVHLRUSRJ-UHFFFAOYSA-N 1 2 387.549 3.774 50 0 GHAALO CC(C)(C)C1CCC(NC(=O)C[NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000013323441 221264954 /nfs/dbraw/zinc/26/49/54/221264954.db2.gz MCQTUJGKJZKTJO-UHFFFAOYSA-N 1 2 375.532 3.669 50 0 GHAALO Cc1ccc(Nc2nc(N)nc(C[N@H+](C)CCOc3ccc(Cl)cc3)n2)cc1 ZINC000015449746 221336252 /nfs/dbraw/zinc/33/62/52/221336252.db2.gz BPRHAUKGGQPTTL-UHFFFAOYSA-N 1 2 398.898 3.670 50 0 GHAALO Cc1ccc(Nc2nc(N)nc(C[N@@H+](C)CCOc3ccc(Cl)cc3)n2)cc1 ZINC000015449746 221336254 /nfs/dbraw/zinc/33/62/54/221336254.db2.gz BPRHAUKGGQPTTL-UHFFFAOYSA-N 1 2 398.898 3.670 50 0 GHAALO CCOc1ccc(-c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)n[nH]2)cc1 ZINC000015679384 221340062 /nfs/dbraw/zinc/34/00/62/221340062.db2.gz QCGFDGDUIYMTMQ-UHFFFAOYSA-N 1 2 382.508 3.566 50 0 GHAALO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+](C)C)o1 ZINC000015860387 221348824 /nfs/dbraw/zinc/34/88/24/221348824.db2.gz FRPWXEUCOMCYRR-HNNXBMFYSA-N 1 2 388.851 3.689 50 0 GHAALO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(C(=O)c3cccs3)CC2)cc1C ZINC000015935501 221352909 /nfs/dbraw/zinc/35/29/09/221352909.db2.gz SJUKVGKRBNRKAT-UHFFFAOYSA-N 1 2 380.517 3.713 50 0 GHAALO Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)C2CCCC2)CC1 ZINC000019113748 221396009 /nfs/dbraw/zinc/39/60/09/221396009.db2.gz VJGBVUQEIMTEMF-UHFFFAOYSA-N 1 2 378.520 3.523 50 0 GHAALO COc1ccc2cc([C@@H](C)NC(=O)N(C)CCCc3[nH+]ccn3C)ccc2c1 ZINC000426490113 533336478 /nfs/dbraw/zinc/33/64/78/533336478.db2.gz LWQCQPVINRLZJW-MRXNPFEDSA-N 1 2 380.492 3.917 50 0 GHAALO Cc1nc(CSCCC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)cs1 ZINC000048362819 132433107 /nfs/dbraw/zinc/43/31/07/132433107.db2.gz ZXXVPMFEOLWOON-UHFFFAOYSA-N 1 2 390.578 3.777 50 0 GHAALO CCCc1nc(N2CCC[C@@H](c3cc(N4CCCC4)nc(C)n3)C2)cc(C)[nH+]1 ZINC000072408580 136169439 /nfs/dbraw/zinc/16/94/39/136169439.db2.gz RFQJMBAGYAPHRO-GOSISDBHSA-N 1 2 380.540 3.820 50 0 GHAALO O=C(Nc1c[nH]nc1[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1)C1CCCC1 ZINC000095999563 136183059 /nfs/dbraw/zinc/18/30/59/136183059.db2.gz OPOFDRAGRSLTMD-INIZCTEOSA-N 1 2 380.496 3.590 50 0 GHAALO CCC(=O)N1CCN(c2nc(CC(C)C)[nH+]c(C)c2Cc2ccccc2F)CC1 ZINC000096316986 136186381 /nfs/dbraw/zinc/18/63/81/136186381.db2.gz CPJBGQADPAIBDS-UHFFFAOYSA-N 1 2 398.526 3.772 50 0 GHAALO O=C(NCCc1ccc(Cl)cc1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000033070944 221771499 /nfs/dbraw/zinc/77/14/99/221771499.db2.gz CTKUOZKRUZOLDG-UHFFFAOYSA-N 1 2 382.895 3.792 50 0 GHAALO O=C([C@H](c1ccccc1)n1cccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000034192171 221799164 /nfs/dbraw/zinc/79/91/64/221799164.db2.gz JHKVSAYYUNSFEW-LUFJGRFYSA-N 1 2 385.511 3.935 50 0 GHAALO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1(c2cccc(F)c2)CCOCC1 ZINC000057235801 222029653 /nfs/dbraw/zinc/02/96/53/222029653.db2.gz AOGPUFHCXUBYDJ-UHFFFAOYSA-N 1 2 383.398 3.837 50 0 GHAALO CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000058033953 222038084 /nfs/dbraw/zinc/03/80/84/222038084.db2.gz XUKASYONQWGCKS-UWJYYQICSA-N 1 2 396.535 3.771 50 0 GHAALO Cc1cc(C(=O)Cn2c3ccccc3[nH+]c2NCCO)c(C)n1CCC(C)C ZINC000060386188 222059221 /nfs/dbraw/zinc/05/92/21/222059221.db2.gz XPEHSNYQXGQWHC-UHFFFAOYSA-N 1 2 382.508 3.788 50 0 GHAALO Cc1oc(-c2cccs2)nc1[C@H]1CC(=O)NCc2[nH+]c3ccc(C)cn3c21 ZINC000065372760 222127137 /nfs/dbraw/zinc/12/71/37/222127137.db2.gz DNNCEDUXSGPFRL-CYBMUJFWSA-N 1 2 378.457 3.819 50 0 GHAALO Cc1ccc(Nc2nc(N3CCN(C(=O)C4CCCC4)CC3)cc(C)[nH+]2)cc1 ZINC000067622217 222152847 /nfs/dbraw/zinc/15/28/47/222152847.db2.gz XAEZODOFAIZOMD-UHFFFAOYSA-N 1 2 379.508 3.676 50 0 GHAALO Cn1cc[nH+]c1CN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000067774969 222159721 /nfs/dbraw/zinc/15/97/21/222159721.db2.gz QUXHUSAOLJDUKS-LJQANCHMSA-N 1 2 391.475 3.601 50 0 GHAALO CCc1[nH+]ccn1CC(=O)N1CCC(c2[nH]ncc2-c2cccc(C)c2)CC1 ZINC000067786939 222160124 /nfs/dbraw/zinc/16/01/24/222160124.db2.gz UJEOQYWPSYGECH-UHFFFAOYSA-N 1 2 377.492 3.550 50 0 GHAALO CCCCN(C(=O)c1cc(C[NH+]2CCC(O)CC2)on1)C1CCCCCC1 ZINC000067871824 222164598 /nfs/dbraw/zinc/16/45/98/222164598.db2.gz CLNRLGWMWSNBLI-UHFFFAOYSA-N 1 2 377.529 3.596 50 0 GHAALO CC(C)NC(=O)[C@@H](C)[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067935034 222168687 /nfs/dbraw/zinc/16/86/87/222168687.db2.gz XGMYFSDXEOLGET-CQSZACIVSA-N 1 2 388.895 3.820 50 0 GHAALO CC(C)NC(=O)[C@@H](C)[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067935034 222168691 /nfs/dbraw/zinc/16/86/91/222168691.db2.gz XGMYFSDXEOLGET-CQSZACIVSA-N 1 2 388.895 3.820 50 0 GHAALO CCCCc1noc(C[NH+]2CCC([C@H]3CCCCCN3C(=O)C3CC3)CC2)n1 ZINC000069951350 222175261 /nfs/dbraw/zinc/17/52/61/222175261.db2.gz WTCHZIZZWMVEOH-LJQANCHMSA-N 1 2 388.556 3.805 50 0 GHAALO CCOCCOc1ccccc1C(=O)N1CCC(c2[nH+]ccn2C(C)C)CC1 ZINC000095501449 222333734 /nfs/dbraw/zinc/33/37/34/222333734.db2.gz RKRZAHCAARZYPJ-UHFFFAOYSA-N 1 2 385.508 3.899 50 0 GHAALO CCc1nc(C)sc1C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095503406 222336241 /nfs/dbraw/zinc/33/62/41/222336241.db2.gz HMUUUIAJYDDTDV-UHFFFAOYSA-N 1 2 395.532 3.674 50 0 GHAALO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000079353306 222305484 /nfs/dbraw/zinc/30/54/84/222305484.db2.gz BOSCRVDACODZBC-CYBMUJFWSA-N 1 2 392.272 3.502 50 0 GHAALO Cc1c(C(=O)COc2coc(C[NH+]3CCCCC3)cc2=O)c2ccccc2n1C ZINC000079485683 222306258 /nfs/dbraw/zinc/30/62/58/222306258.db2.gz CVSCFTIOQDNUMO-UHFFFAOYSA-N 1 2 394.471 3.688 50 0 GHAALO Cc1ccc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)c(O)c1 ZINC000082146925 222310074 /nfs/dbraw/zinc/31/00/74/222310074.db2.gz QYFWADHFVJETFR-UHFFFAOYSA-N 1 2 375.472 3.965 50 0 GHAALO O=C(c1cc(-c2ccsc2)n[nH]1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000082166566 222313003 /nfs/dbraw/zinc/31/30/03/222313003.db2.gz SREXMOWSYNJJRL-UHFFFAOYSA-N 1 2 386.908 3.750 50 0 GHAALO CCn1cc[nH+]c1C1CCN(C(=O)Cc2nc(-c3ccccc3)oc2C)CC1 ZINC000095524057 222348940 /nfs/dbraw/zinc/34/89/40/222348940.db2.gz NRLUDNGWVUAHLK-UHFFFAOYSA-N 1 2 378.476 3.815 50 0 GHAALO CCn1c(C)cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)c1C ZINC000095520162 222345723 /nfs/dbraw/zinc/34/57/23/222345723.db2.gz VBJHFNSAXZINCJ-KRWDZBQOSA-N 1 2 397.548 3.846 50 0 GHAALO CCCN(Cc1ccsc1)C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000426662428 528149818 /nfs/dbraw/zinc/14/98/18/528149818.db2.gz OKUZNZYCMZAHMH-UHFFFAOYSA-N 1 2 392.613 3.620 50 0 GHAALO Cc1ccccc1OC[C@H](O)Cn1c2ccccc2n(Cc2ccccc2)c1=[NH2+] ZINC000020059838 570238131 /nfs/dbraw/zinc/23/81/31/570238131.db2.gz FGBRKEJLQWBLQX-HXUWFJFHSA-N 1 2 387.483 3.719 50 0 GHAALO CCn1c2ccccc2n(C[C@@H](O)COc2ccc(Cl)cc2Cl)c1=[NH2+] ZINC000020064696 570238412 /nfs/dbraw/zinc/23/84/12/570238412.db2.gz VJOLMVIDUNDJQX-CYBMUJFWSA-N 1 2 380.275 3.689 50 0 GHAALO CCOC(=O)Cn1c2ccccc2n(Cc2ccc(Cl)c(Cl)c2)c1=[NH2+] ZINC000020083055 570238819 /nfs/dbraw/zinc/23/88/19/570238819.db2.gz BWUNSSBZVCILHE-UHFFFAOYSA-N 1 2 378.259 3.840 50 0 GHAALO O=C(CCCCC(=O)c1ccccc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000048347673 570241876 /nfs/dbraw/zinc/24/18/76/570241876.db2.gz HVLOVPGCQDSRDI-UHFFFAOYSA-N 1 2 375.472 3.991 50 0 GHAALO Cc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)cc1Cl ZINC000020458931 570259854 /nfs/dbraw/zinc/25/98/54/570259854.db2.gz IFINEEJWZOZMMT-UHFFFAOYSA-N 1 2 399.343 3.808 50 0 GHAALO Cc1[nH]c2ccccc2c1CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000024693360 570279280 /nfs/dbraw/zinc/27/92/80/570279280.db2.gz YHEILPJVKPOZER-NRFANRHFSA-N 1 2 376.435 3.797 50 0 GHAALO Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000024693363 570279380 /nfs/dbraw/zinc/27/93/80/570279380.db2.gz YHEILPJVKPOZER-OAQYLSRUSA-N 1 2 376.435 3.797 50 0 GHAALO O=C(CN1CC[NH+](Cc2ccccn2)CC1)Nc1ccccc1-c1ccccc1 ZINC000022808844 570329495 /nfs/dbraw/zinc/32/94/95/570329495.db2.gz YZLMGKGOAUANRX-UHFFFAOYSA-N 1 2 386.499 3.505 50 0 GHAALO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022933521 570337666 /nfs/dbraw/zinc/33/76/66/570337666.db2.gz XHZKGQNXIGXIRX-HNNXBMFYSA-N 1 2 377.941 3.855 50 0 GHAALO O=C(C[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1)NC1CCCCCC1 ZINC000023095839 570343783 /nfs/dbraw/zinc/34/37/83/570343783.db2.gz ZDMJPKFDFYVREN-UHFFFAOYSA-N 1 2 398.378 3.950 50 0 GHAALO Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000023866522 570374030 /nfs/dbraw/zinc/37/40/30/570374030.db2.gz FNKMAZMIOJUIEH-UHFFFAOYSA-N 1 2 394.544 3.568 50 0 GHAALO O=C(Nc1ccc(Nc2cc(-n3cc[nH+]c3)ncn2)cc1)c1ccc(F)cc1F ZINC000035598172 570400760 /nfs/dbraw/zinc/40/07/60/570400760.db2.gz NUPCJSALYVRWCD-UHFFFAOYSA-N 1 2 392.369 3.936 50 0 GHAALO COc1ccccc1-c1noc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000025750683 570418864 /nfs/dbraw/zinc/41/88/64/570418864.db2.gz JJLQTDDXUQIPDB-UHFFFAOYSA-N 1 2 398.894 3.716 50 0 GHAALO O=C(NCCn1c(CCc2ccccc2)[nH+]c2ccccc21)NCc1ccco1 ZINC000032951499 570426787 /nfs/dbraw/zinc/42/67/87/570426787.db2.gz SATZQUXMFOZIFZ-UHFFFAOYSA-N 1 2 388.471 3.914 50 0 GHAALO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2ccc3c(c2)OCO3)no1 ZINC000027364673 570433776 /nfs/dbraw/zinc/43/37/76/570433776.db2.gz VASWGRHXNQRJCC-HXUWFJFHSA-N 1 2 379.416 3.524 50 0 GHAALO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2ccc3c(c2)OCO3)no1 ZINC000027364673 570433778 /nfs/dbraw/zinc/43/37/78/570433778.db2.gz VASWGRHXNQRJCC-HXUWFJFHSA-N 1 2 379.416 3.524 50 0 GHAALO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000027511573 570435252 /nfs/dbraw/zinc/43/52/52/570435252.db2.gz JETIWSPUMGTAAF-KRWDZBQOSA-N 1 2 378.476 3.766 50 0 GHAALO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000027511573 570435255 /nfs/dbraw/zinc/43/52/55/570435255.db2.gz JETIWSPUMGTAAF-KRWDZBQOSA-N 1 2 378.476 3.766 50 0 GHAALO O=C(C[N@@H+]1CCC=C(c2cccnc2)C1)Nc1ccc(Br)cc1F ZINC000253430820 570483324 /nfs/dbraw/zinc/48/33/24/570483324.db2.gz SIWWWRRITMLANC-UHFFFAOYSA-N 1 2 390.256 3.711 50 0 GHAALO O=C(C[N@H+]1CCC=C(c2cccnc2)C1)Nc1ccc(Br)cc1F ZINC000253430820 570483325 /nfs/dbraw/zinc/48/33/25/570483325.db2.gz SIWWWRRITMLANC-UHFFFAOYSA-N 1 2 390.256 3.711 50 0 GHAALO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)Cc1nc2ccccc2n1CC ZINC000072308269 570527667 /nfs/dbraw/zinc/52/76/67/570527667.db2.gz DXQJDYYZIKKMET-GOSISDBHSA-N 1 2 383.496 3.982 50 0 GHAALO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](C)Cc1nc2ccccc2n1CC ZINC000072308269 570527672 /nfs/dbraw/zinc/52/76/72/570527672.db2.gz DXQJDYYZIKKMET-GOSISDBHSA-N 1 2 383.496 3.982 50 0 GHAALO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022298640 570538542 /nfs/dbraw/zinc/53/85/42/570538542.db2.gz GUXPBMIKIBLZED-GOSISDBHSA-N 1 2 395.330 3.551 50 0 GHAALO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ccc2nnc(-c3ccccc3F)n2n1 ZINC000225479168 570578388 /nfs/dbraw/zinc/57/83/88/570578388.db2.gz CUYRNFRNHCABQC-KRWDZBQOSA-N 1 2 391.454 3.878 50 0 GHAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000585149226 570712345 /nfs/dbraw/zinc/71/23/45/570712345.db2.gz QDXNAEWJCFRMCJ-IBGZPJMESA-N 1 2 395.528 3.859 50 0 GHAALO O=C(NCc1ccco1)c1ccc(-c2ccc(N3CCSCC3)[nH+]c2)cc1 ZINC000065178334 570724121 /nfs/dbraw/zinc/72/41/21/570724121.db2.gz VMVPONQEXCBEDY-UHFFFAOYSA-N 1 2 379.485 3.825 50 0 GHAALO C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031468 570778313 /nfs/dbraw/zinc/77/83/13/570778313.db2.gz LJIDKAQCRUFBLE-JXFKEZNVSA-N 1 2 386.927 3.839 50 0 GHAALO Cc1ccc(OCCC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1C ZINC000032769172 570803410 /nfs/dbraw/zinc/80/34/10/570803410.db2.gz VUMPUOWSWRLGKY-OAQYLSRUSA-N 1 2 381.451 3.851 50 0 GHAALO Cc1ccc(CCNC(=O)[C@H]2CCCN(c3[nH]c4ccc(C)cc4[nH+]3)C2)cc1 ZINC000033072038 570803457 /nfs/dbraw/zinc/80/34/57/570803457.db2.gz HZXPRZHGZGZYES-IBGZPJMESA-N 1 2 376.504 3.755 50 0 GHAALO Cc1ccc(CCNC(=O)[C@H]2CCCN(c3[nH]c4cc(C)ccc4[nH+]3)C2)cc1 ZINC000033072038 570803461 /nfs/dbraw/zinc/80/34/61/570803461.db2.gz HZXPRZHGZGZYES-IBGZPJMESA-N 1 2 376.504 3.755 50 0 GHAALO CC1CC[NH+](c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)cc2)CC1 ZINC000033077207 570805911 /nfs/dbraw/zinc/80/59/11/570805911.db2.gz GWRPHYPLHUZMBL-UHFFFAOYSA-N 1 2 397.500 3.565 50 0 GHAALO O=C(C[N@H+](Cc1ccco1)Cc1cccs1)N1CCN(c2ccccc2)CC1 ZINC000007360300 570833281 /nfs/dbraw/zinc/83/32/81/570833281.db2.gz KSNCFRWMYHSAEV-UHFFFAOYSA-N 1 2 395.528 3.692 50 0 GHAALO O=C(C[N@@H+](Cc1ccco1)Cc1cccs1)N1CCN(c2ccccc2)CC1 ZINC000007360300 570833285 /nfs/dbraw/zinc/83/32/85/570833285.db2.gz KSNCFRWMYHSAEV-UHFFFAOYSA-N 1 2 395.528 3.692 50 0 GHAALO O=C(c1cccc(-c2ccc[nH]c2=O)c1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000299789394 570896156 /nfs/dbraw/zinc/89/61/56/570896156.db2.gz ZHRUWRYKGXNIQA-LJQANCHMSA-N 1 2 376.460 3.736 50 0 GHAALO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000089662114 570908872 /nfs/dbraw/zinc/90/88/72/570908872.db2.gz LRGIYYNINPPMOC-JKSUJKDBSA-N 1 2 376.501 3.701 50 0 GHAALO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000089662114 570908876 /nfs/dbraw/zinc/90/88/76/570908876.db2.gz LRGIYYNINPPMOC-JKSUJKDBSA-N 1 2 376.501 3.701 50 0 GHAALO COc1cccc([C@H](C2Sc3nc(C)nn3C2=O)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000023157861 570920502 /nfs/dbraw/zinc/92/05/02/570920502.db2.gz XEFGXOBSBXOELZ-IIYDPXPESA-N 1 2 386.521 3.881 50 0 GHAALO COc1cccc([C@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000023157861 570920504 /nfs/dbraw/zinc/92/05/04/570920504.db2.gz XEFGXOBSBXOELZ-IIYDPXPESA-N 1 2 386.521 3.881 50 0 GHAALO C[C@H]1C[C@H]1c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)n(-c2ccccc2)n1 ZINC000157944717 570920769 /nfs/dbraw/zinc/92/07/69/570920769.db2.gz YWNCEVGJDFVTRY-MAUKXSAKSA-N 1 2 384.443 3.829 50 0 GHAALO C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000047539714 570963979 /nfs/dbraw/zinc/96/39/79/570963979.db2.gz YFSMSYYEKRHFGL-ZDUSSCGKSA-N 1 2 381.904 3.656 50 0 GHAALO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3ccc(C4CCC4)cc3)c2)CC1 ZINC000252507520 570978354 /nfs/dbraw/zinc/97/83/54/570978354.db2.gz WNRXRQUIIDJDAN-UHFFFAOYSA-N 1 2 391.515 3.871 50 0 GHAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccccc2OC[C@H]2CCCO2)c1C ZINC000195002330 837319102 /nfs/dbraw/zinc/31/91/02/837319102.db2.gz RVCLRYTUPSVLSI-QGZVFWFLSA-N 1 2 384.476 3.537 50 0 GHAALO Cc1ccc([C@H]([NH2+]Cc2cccc3c2OC(F)(F)O3)[C@@H](C)S(C)(=O)=O)cc1 ZINC000414447686 847085206 /nfs/dbraw/zinc/08/52/06/847085206.db2.gz PVZSQXIVFXHSLA-CXAGYDPISA-N 1 2 397.443 3.581 50 0 GHAALO Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000056945383 861846032 /nfs/dbraw/zinc/84/60/32/861846032.db2.gz XNHCFNXPXFDQNG-JOCHJYFZSA-N 1 2 389.499 3.881 50 0 GHAALO COc1ccc(C(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1 ZINC000003649643 862541150 /nfs/dbraw/zinc/54/11/50/862541150.db2.gz DTOIYJWEAUNEBC-UHFFFAOYSA-N 1 2 377.444 3.641 50 0 GHAALO O=C(NCc1cccc(Cl)c1)c1nc(-c2ccc(Cn3cc[nH+]c3)cc2)no1 ZINC000031811203 862701123 /nfs/dbraw/zinc/70/11/23/862701123.db2.gz LLJPVVNRWSBEEC-UHFFFAOYSA-N 1 2 393.834 3.565 50 0 GHAALO O=C(CCc1ccc(C(F)(F)F)cc1)N1CC([N@@H+]2CCc3sccc3C2)C1 ZINC000390826580 860501467 /nfs/dbraw/zinc/50/14/67/860501467.db2.gz AODGMCZAOXDDHI-UHFFFAOYSA-N 1 2 394.462 3.969 50 0 GHAALO O=C(CCc1ccc(C(F)(F)F)cc1)N1CC([N@H+]2CCc3sccc3C2)C1 ZINC000390826580 860501474 /nfs/dbraw/zinc/50/14/74/860501474.db2.gz AODGMCZAOXDDHI-UHFFFAOYSA-N 1 2 394.462 3.969 50 0 GHAALO COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096232343 860816819 /nfs/dbraw/zinc/81/68/19/860816819.db2.gz GKWVCWTYSMVEOA-NSHDSACASA-N 1 2 380.372 3.693 50 0 GHAALO Cc1nc(Nc2ccc(NC(=O)c3cccs3)cc2)cc(N2CCOCC2)[nH+]1 ZINC000021794511 860942376 /nfs/dbraw/zinc/94/23/76/860942376.db2.gz LYJMSGKHVBTASM-UHFFFAOYSA-N 1 2 395.488 3.679 50 0 GHAALO C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000022460621 861127822 /nfs/dbraw/zinc/12/78/22/861127822.db2.gz HFZBCRBVOKBVCC-RDTXWAMCSA-N 1 2 392.956 3.900 50 0 GHAALO COc1ccc(C(=O)N2CCC[C@H](Cn3c(C)c[nH+]c3-c3cccnc3)C2)cc1 ZINC000581806919 870037084 /nfs/dbraw/zinc/03/70/84/870037084.db2.gz DGRMVDGRUQOJBO-SFHVURJKSA-N 1 2 390.487 3.815 50 0 GHAALO COc1ccc(C(=O)N2CCC(n3c(C)c[nH+]c3-c3cccnc3)CC2)cc1F ZINC000581808736 870039772 /nfs/dbraw/zinc/03/97/72/870039772.db2.gz ITCTTYLYZFIFSS-UHFFFAOYSA-N 1 2 394.450 3.879 50 0 GHAALO c1csc(-c2ncc(C[N@@H+]3CCC[C@H]3c3nc(-c4ccncc4)no3)cn2)c1 ZINC000952960346 904640303 /nfs/dbraw/zinc/64/03/03/904640303.db2.gz HYVKPLCRKBKLAC-INIZCTEOSA-N 1 2 390.472 3.987 50 0 GHAALO c1csc(-c2ncc(C[N@H+]3CCC[C@H]3c3nc(-c4ccncc4)no3)cn2)c1 ZINC000952960346 904640306 /nfs/dbraw/zinc/64/03/06/904640306.db2.gz HYVKPLCRKBKLAC-INIZCTEOSA-N 1 2 390.472 3.987 50 0 GHAALO CCc1ccc(C[NH+]2CCN(C(=O)c3coc(-c4ccccc4)n3)CC2)s1 ZINC000128707204 920396806 /nfs/dbraw/zinc/39/68/06/920396806.db2.gz FACJUNDLVXBZAY-UHFFFAOYSA-N 1 2 381.501 3.924 50 0 GHAALO COc1ccc(C2(C(=O)N[C@@H](c3[nH+]ccn3C)C3CC3)CCCC2)cc1OC ZINC000426423664 231219466 /nfs/dbraw/zinc/21/94/66/231219466.db2.gz OILFXIHJHQQXOL-LJQANCHMSA-N 1 2 383.492 3.517 50 0 GHAALO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc(Br)cc3)c2cc1C ZINC000001471166 212248178 /nfs/dbraw/zinc/24/81/78/212248178.db2.gz QPPMSRPGCRXRBT-HNNXBMFYSA-N 1 2 375.266 3.856 50 0 GHAALO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1Nc1ccc2c(c1)OCCO2 ZINC000000702220 212175349 /nfs/dbraw/zinc/17/53/49/212175349.db2.gz WRZAHOLHCLGZJH-UHFFFAOYSA-N 1 2 380.400 3.935 50 0 GHAALO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@]31c2ccccc2N(CCC(C)C)C1=O ZINC000020064236 212151614 /nfs/dbraw/zinc/15/16/14/212151614.db2.gz LKZLOLOHXHJTQP-DEOSSOPVSA-N 1 2 389.499 3.959 50 0 biogenic GHAALO CC(C)N1CC2(c3ccccc3)C[NH+](C(C)C)CC(c3ccccc3)(C1)C2=O ZINC000004181089 220689907 /nfs/dbraw/zinc/68/99/07/220689907.db2.gz IWVMRXYRDSAPBR-UHFFFAOYSA-N 1 2 376.544 3.880 50 0 GHAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000007878773 221014664 /nfs/dbraw/zinc/01/46/64/221014664.db2.gz QTAHCXZXCWWKAU-LBPRGKRZSA-N 1 2 387.896 3.540 50 0 GHAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000007878773 221014666 /nfs/dbraw/zinc/01/46/66/221014666.db2.gz QTAHCXZXCWWKAU-LBPRGKRZSA-N 1 2 387.896 3.540 50 0 GHAALO Cc1[nH+]c2ccccc2n1CCNC(=O)/C=C/c1cc2c(c(Cl)c1)OCO2 ZINC000008135645 221028279 /nfs/dbraw/zinc/02/82/79/221028279.db2.gz ZAUISZMGJHRBLB-VOTSOKGWSA-N 1 2 383.835 3.556 50 0 GHAALO C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000009154124 221071139 /nfs/dbraw/zinc/07/11/39/221071139.db2.gz IHYMWRFBXISHFN-SCLBCKFNSA-N 1 2 387.842 3.886 50 0 GHAALO COc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)c1 ZINC000008981586 221066849 /nfs/dbraw/zinc/06/68/49/221066849.db2.gz LAPVCFZMSNVWMG-GOSISDBHSA-N 1 2 393.443 3.854 50 0 GHAALO COc1cccc(-c2noc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)n2)c1 ZINC000008981586 221066851 /nfs/dbraw/zinc/06/68/51/221066851.db2.gz LAPVCFZMSNVWMG-GOSISDBHSA-N 1 2 393.443 3.854 50 0 GHAALO C[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1cnn(Cc2ccccc2)c1 ZINC000009057946 221069468 /nfs/dbraw/zinc/06/94/68/221069468.db2.gz GONGCOYCCDTZTL-QHCPKHFHSA-N 1 2 388.515 3.557 50 0 GHAALO C[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1cnn(Cc2ccccc2)c1 ZINC000009057946 221069472 /nfs/dbraw/zinc/06/94/72/221069472.db2.gz GONGCOYCCDTZTL-QHCPKHFHSA-N 1 2 388.515 3.557 50 0 GHAALO C[C@H](NC(=O)CSc1ccc2c(c1)OCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012507551 221200182 /nfs/dbraw/zinc/20/01/82/221200182.db2.gz BQTLFYHWIOIFQS-HNNXBMFYSA-N 1 2 395.484 3.613 50 0 GHAALO C[N@H+](Cc1nc(Cc2cccc(F)c2)no1)Cc1ccc(-n2cccn2)cc1 ZINC000012592193 221211711 /nfs/dbraw/zinc/21/17/11/221211711.db2.gz VLAREPJETVVTHV-UHFFFAOYSA-N 1 2 377.423 3.617 50 0 GHAALO C[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)Cc1ccc(-n2cccn2)cc1 ZINC000012592193 221211714 /nfs/dbraw/zinc/21/17/14/221211714.db2.gz VLAREPJETVVTHV-UHFFFAOYSA-N 1 2 377.423 3.617 50 0 GHAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3coc(Br)c3)n2)C1 ZINC000012980342 221252345 /nfs/dbraw/zinc/25/23/45/221252345.db2.gz ABGGXJDJZUKVCD-SNVBAGLBSA-N 1 2 384.299 3.983 50 0 GHAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3coc(Br)c3)n2)C1 ZINC000012980342 221252346 /nfs/dbraw/zinc/25/23/46/221252346.db2.gz ABGGXJDJZUKVCD-SNVBAGLBSA-N 1 2 384.299 3.983 50 0 GHAALO O=C1NC2(CCCCCC2)C(=O)N1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000014231845 221305619 /nfs/dbraw/zinc/30/56/19/221305619.db2.gz RLCGXEIVATYCIZ-UHFFFAOYSA-N 1 2 396.491 3.610 50 0 GHAALO O=C(c1ccccc1)[C@H]1CCC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000014951290 221320168 /nfs/dbraw/zinc/32/01/68/221320168.db2.gz FFHRZRNJVLACLG-KRWDZBQOSA-N 1 2 391.427 3.560 50 0 GHAALO O=C(c1ccccc1)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000014951290 221320170 /nfs/dbraw/zinc/32/01/70/221320170.db2.gz FFHRZRNJVLACLG-KRWDZBQOSA-N 1 2 391.427 3.560 50 0 GHAALO CCOC(=O)c1oc2c(cccc2C)c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000015017614 221326931 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CCc1nc2ccccc2n1CC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000048355266 221990484 /nfs/dbraw/zinc/99/04/84/221990484.db2.gz AOELWENJWKBCFT-UHFFFAOYSA-N 1 2 391.519 3.691 50 0 GHAALO CCN(Cc1ccccc1)c1ccc(-c2noc(C[NH+]3CCSCC3)n2)cn1 ZINC000065216412 222111657 /nfs/dbraw/zinc/11/16/57/222111657.db2.gz PNWQZAZWCWWHMT-UHFFFAOYSA-N 1 2 395.532 3.707 50 0 GHAALO CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058185033 222043909 /nfs/dbraw/zinc/04/39/09/222043909.db2.gz CDWQHHNHTBUBFN-UHFFFAOYSA-N 1 2 376.338 3.937 50 0 GHAALO OCCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1cccc2ccccc21 ZINC000059001879 222055547 /nfs/dbraw/zinc/05/55/47/222055547.db2.gz BHIYCKYDIWFEPD-GOSISDBHSA-N 1 2 376.456 3.554 50 0 GHAALO Cc1nn2cc(CCn3c[nH+]c(-c4ccccc4)c3[C@H]3CCOC3)nc2s1 ZINC000065397647 222127790 /nfs/dbraw/zinc/12/77/90/222127790.db2.gz HLRICABLOQMTPL-INIZCTEOSA-N 1 2 379.489 3.709 50 0 GHAALO CCc1c[nH+]c(C)nc1N1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071749050 222190109 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CC(C)c1nc(C[N@@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)no1 ZINC000071745166 222188398 /nfs/dbraw/zinc/18/83/98/222188398.db2.gz XHVAJGQSNAJXQB-SFHVURJKSA-N 1 2 388.487 3.591 50 0 GHAALO CC(C)c1nc(C[N@H+]2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)no1 ZINC000071745166 222188401 /nfs/dbraw/zinc/18/84/01/222188401.db2.gz XHVAJGQSNAJXQB-SFHVURJKSA-N 1 2 388.487 3.591 50 0 GHAALO COc1ccc(-n2cc(C[N@@H+]3CCN(C)[C@@H](C)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000072478100 222266136 /nfs/dbraw/zinc/26/61/36/222266136.db2.gz WTDJZNXVYWNJNR-KRWDZBQOSA-N 1 2 394.494 3.823 50 0 GHAALO COc1ccc(-n2cc(C[N@H+]3CCN(C)[C@@H](C)C3)c(-c3cccc(F)c3)n2)cc1 ZINC000072478100 222266141 /nfs/dbraw/zinc/26/61/41/222266141.db2.gz WTDJZNXVYWNJNR-KRWDZBQOSA-N 1 2 394.494 3.823 50 0 GHAALO C[C@H](C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1)n1cnc2ccccc21 ZINC000089420170 222327141 /nfs/dbraw/zinc/32/71/41/222327141.db2.gz ZMEYDSWHQIWGOG-MRXNPFEDSA-N 1 2 382.895 3.595 50 0 GHAALO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3cc(F)ccc3Cl)C2)N1Cc1cscn1 ZINC000095505783 222339028 /nfs/dbraw/zinc/33/90/28/222339028.db2.gz LFSJIZOYONNCJK-BLLLJJGKSA-N 1 2 379.888 3.559 50 0 GHAALO O=C1[C@H]2CC[C@H](C[N@H+](Cc3cc(F)ccc3Cl)C2)N1Cc1cscn1 ZINC000095505783 222339032 /nfs/dbraw/zinc/33/90/32/222339032.db2.gz LFSJIZOYONNCJK-BLLLJJGKSA-N 1 2 379.888 3.559 50 0 GHAALO COc1ccc(F)c(F)c1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095510270 222342565 /nfs/dbraw/zinc/34/25/65/222342565.db2.gz IOWWHQMKSGTBTI-CQSZACIVSA-N 1 2 375.419 3.600 50 0 GHAALO Cc1cc2c(cc1-c1[nH+]ccn1[C@@H](C)c1ccc(S(C)(=O)=O)cc1)OCO2 ZINC000077357056 222279304 /nfs/dbraw/zinc/27/93/04/222279304.db2.gz BKNGEBDZZVUZLN-AWEZNQCLSA-N 1 2 384.457 3.600 50 0 GHAALO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000079353564 222305077 /nfs/dbraw/zinc/30/50/77/222305077.db2.gz JBRFCDHMBBEXQX-ZDUSSCGKSA-N 1 2 392.272 3.502 50 0 GHAALO O=C(c1cnoc1-c1ccccc1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095526063 222351244 /nfs/dbraw/zinc/35/12/44/222351244.db2.gz YMEOBLSNILQXQM-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/22/80/94/570228094.db2.gz GBTQTSQIUGSRAU-UHFFFAOYSA-N 1 2 398.553 3.844 50 0 GHAALO O=C1[C@H]2[C@@H]3CSC[N@@H+]3[C@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccccc1 ZINC000247712495 570233919 /nfs/dbraw/zinc/23/39/19/570233919.db2.gz KRCZASBHGOCUQV-XLAORIBOSA-N 1 2 384.888 3.575 50 0 GHAALO O=C1[C@H]2[C@@H]3CSC[N@H+]3[C@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccccc1 ZINC000247712495 570233921 /nfs/dbraw/zinc/23/39/21/570233921.db2.gz KRCZASBHGOCUQV-XLAORIBOSA-N 1 2 384.888 3.575 50 0 GHAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3nc4cc(F)ccc4[nH]3)C2)cc1OC ZINC000020166292 570245429 /nfs/dbraw/zinc/24/54/29/570245429.db2.gz WLPKSVXPJLRLHB-HNNXBMFYSA-N 1 2 397.450 3.814 50 0 GHAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3nc4cc(F)ccc4[nH]3)C2)cc1OC ZINC000020166292 570245431 /nfs/dbraw/zinc/24/54/31/570245431.db2.gz WLPKSVXPJLRLHB-HNNXBMFYSA-N 1 2 397.450 3.814 50 0 GHAALO CC1(C)C[NH+]=C(N2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)S1 ZINC000001153922 570249567 /nfs/dbraw/zinc/24/95/67/570249567.db2.gz MNSXQGKLDTVOLP-UHFFFAOYSA-N 1 2 387.578 3.574 50 0 GHAALO O=C1C[C@@H]([N@@H+]2CCc3ccccc3C2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000020357978 570252917 /nfs/dbraw/zinc/25/29/17/570252917.db2.gz ZIBKRYHCMALQLS-QGZVFWFLSA-N 1 2 375.255 3.684 50 0 GHAALO O=C1C[C@@H]([N@H+]2CCc3ccccc3C2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000020357978 570252918 /nfs/dbraw/zinc/25/29/18/570252918.db2.gz ZIBKRYHCMALQLS-QGZVFWFLSA-N 1 2 375.255 3.684 50 0 GHAALO Brc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)s1 ZINC000019536202 570254536 /nfs/dbraw/zinc/25/45/36/570254536.db2.gz POJPFKMOYDZGNZ-UHFFFAOYSA-N 1 2 395.322 3.557 50 0 GHAALO CCOc1ccccc1CN1CC[N@H+](Cc2ccccc2Cl)C[C@H]1CCO ZINC000104467024 570259200 /nfs/dbraw/zinc/25/92/00/570259200.db2.gz RGKUPESGRBGOFC-HXUWFJFHSA-N 1 2 388.939 3.808 50 0 GHAALO CCOc1ccccc1CN1CC[N@@H+](Cc2ccccc2Cl)C[C@H]1CCO ZINC000104467024 570259201 /nfs/dbraw/zinc/25/92/01/570259201.db2.gz RGKUPESGRBGOFC-HXUWFJFHSA-N 1 2 388.939 3.808 50 0 GHAALO Cc1cccc(NC(=O)C[N@@H+]2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)c1 ZINC000049003167 570261692 /nfs/dbraw/zinc/26/16/92/570261692.db2.gz QXODBTVYWZULSH-UHFFFAOYSA-N 1 2 395.890 3.795 50 0 GHAALO Cc1cccc(NC(=O)C[N@H+]2CCc3[nH]c4c(C)c(Cl)ccc4c(=O)c3C2)c1 ZINC000049003167 570261696 /nfs/dbraw/zinc/26/16/96/570261696.db2.gz QXODBTVYWZULSH-UHFFFAOYSA-N 1 2 395.890 3.795 50 0 GHAALO Cc1ccccc1OCc1nc2c3c4c(sc3nc(C)n2n1)C[N@H+](C)CC4 ZINC000020548599 570267538 /nfs/dbraw/zinc/26/75/38/570267538.db2.gz AWCXKFWQCAEHAR-UHFFFAOYSA-N 1 2 379.489 3.523 50 0 GHAALO Cc1ccccc1OCc1nc2c3c4c(sc3nc(C)n2n1)C[N@@H+](C)CC4 ZINC000020548599 570267539 /nfs/dbraw/zinc/26/75/39/570267539.db2.gz AWCXKFWQCAEHAR-UHFFFAOYSA-N 1 2 379.489 3.523 50 0 GHAALO Cc1ccc(NC(=O)C[NH+]2CC(c3nc(-c4cccs4)no3)C2)cc1Cl ZINC000049484531 570267894 /nfs/dbraw/zinc/26/78/94/570267894.db2.gz XUQGCLBFUNGWNR-UHFFFAOYSA-N 1 2 388.880 3.798 50 0 GHAALO CCCCCOc1ccc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000020896936 570283819 /nfs/dbraw/zinc/28/38/19/570283819.db2.gz SKSHDNLQENFIHU-UHFFFAOYSA-N 1 2 381.520 3.651 50 0 GHAALO O=C(Cc1c(Cl)cccc1Cl)NCc1ccccc1C[NH+]1CCOCC1 ZINC000021935066 570299980 /nfs/dbraw/zinc/29/99/80/570299980.db2.gz RNVTXHDTQHLDJC-UHFFFAOYSA-N 1 2 393.314 3.685 50 0 GHAALO CC(=O)c1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cs1 ZINC000022912111 570333687 /nfs/dbraw/zinc/33/36/87/570333687.db2.gz KWAVHCODKZCFIX-NRFANRHFSA-N 1 2 383.561 3.737 50 0 GHAALO CC(=O)c1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)cs1 ZINC000022912111 570333689 /nfs/dbraw/zinc/33/36/89/570333689.db2.gz KWAVHCODKZCFIX-NRFANRHFSA-N 1 2 383.561 3.737 50 0 GHAALO Cc1cc(C(=O)CN2CC[NH+](Cc3ccsc3)CC2)c(C)n1Cc1ccco1 ZINC000022928435 570336097 /nfs/dbraw/zinc/33/60/97/570336097.db2.gz SWFLMRJFPNRVGS-UHFFFAOYSA-N 1 2 397.544 3.808 50 0 GHAALO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000022934651 570338277 /nfs/dbraw/zinc/33/82/77/570338277.db2.gz QNTZVHNVFBDTBY-CYBMUJFWSA-N 1 2 382.291 3.731 50 0 GHAALO CCCCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2cccnc2)CC1 ZINC000034909975 570340337 /nfs/dbraw/zinc/34/03/37/570340337.db2.gz ORVGFWYXCGRBMH-UHFFFAOYSA-N 1 2 391.519 3.764 50 0 GHAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCCc2ccccc21 ZINC000035404014 570351110 /nfs/dbraw/zinc/35/11/10/570351110.db2.gz JPGZLRLUQLXQFG-UHFFFAOYSA-N 1 2 398.510 3.941 50 0 GHAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCCc2ccccc21 ZINC000035404014 570351114 /nfs/dbraw/zinc/35/11/14/570351114.db2.gz JPGZLRLUQLXQFG-UHFFFAOYSA-N 1 2 398.510 3.941 50 0 GHAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1 ZINC000575615597 570353966 /nfs/dbraw/zinc/35/39/66/570353966.db2.gz FFOHDDVVYIRNOL-FQEVSTJZSA-N 1 2 389.499 3.867 50 0 GHAALO COc1cccc([C@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)c2[nH+]ccn2C)c1 ZINC000024021197 570377015 /nfs/dbraw/zinc/37/70/15/570377015.db2.gz CQBTXPVIKWFRBE-AWEZNQCLSA-N 1 2 379.247 3.583 50 0 GHAALO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000022788084 570377275 /nfs/dbraw/zinc/37/72/75/570377275.db2.gz FNRSOHSFDYESQC-MSOLQXFVSA-N 1 2 385.939 3.724 50 0 GHAALO C[C@@H](NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000022788084 570377276 /nfs/dbraw/zinc/37/72/76/570377276.db2.gz FNRSOHSFDYESQC-MSOLQXFVSA-N 1 2 385.939 3.724 50 0 GHAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NC(C)=O)c2cc1OC ZINC000004707213 570396396 /nfs/dbraw/zinc/39/63/96/570396396.db2.gz FMPDZQKSINITPJ-UHFFFAOYSA-N 1 2 396.443 3.818 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000024986673 570401626 /nfs/dbraw/zinc/40/16/26/570401626.db2.gz KWGUXUVDGSTHGS-QHCPKHFHSA-N 1 2 387.483 3.778 50 0 GHAALO CCCN(Cc1nnc(-c2ccco2)o1)C(=O)Cn1c(CC)[nH+]c2ccccc21 ZINC000025275675 570409971 /nfs/dbraw/zinc/40/99/71/570409971.db2.gz GEPPUGUURIUSMO-UHFFFAOYSA-N 1 2 393.447 3.681 50 0 GHAALO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](Cc1ccco1)C1CC1 ZINC000026929116 570430164 /nfs/dbraw/zinc/43/01/64/570430164.db2.gz HBXNBYPNIITWKI-UHFFFAOYSA-N 1 2 397.258 3.976 50 0 GHAALO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+](Cc1ccco1)C1CC1 ZINC000026929116 570430167 /nfs/dbraw/zinc/43/01/67/570430167.db2.gz HBXNBYPNIITWKI-UHFFFAOYSA-N 1 2 397.258 3.976 50 0 GHAALO Cc1ccc2nc3c(c(C(=O)N4CCN(c5cccc[nH+]5)CC4)c2c1)CCCC3 ZINC000070666835 570476096 /nfs/dbraw/zinc/47/60/96/570476096.db2.gz HMERSMODMBSNIY-UHFFFAOYSA-N 1 2 386.499 3.779 50 0 GHAALO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1OC ZINC000006589118 570485738 /nfs/dbraw/zinc/48/57/38/570485738.db2.gz DVAPRXTVUJNRJY-UHFFFAOYSA-N 1 2 395.459 3.738 50 0 GHAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(-c3ccc(C)cc3)no2)cc1OC ZINC000006589118 570485742 /nfs/dbraw/zinc/48/57/42/570485742.db2.gz DVAPRXTVUJNRJY-UHFFFAOYSA-N 1 2 395.459 3.738 50 0 GHAALO Cc1c(-c2ccccc2)nn2c1nc(C)cc2N1CCN(c2cccc[nH+]2)CC1 ZINC000035476311 570553236 /nfs/dbraw/zinc/55/32/36/570553236.db2.gz XBMFXHONALZDKY-UHFFFAOYSA-N 1 2 384.487 3.735 50 0 GHAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(OC)cc1)[NH+]1CCC(C)CC1)S2 ZINC000022853366 570557000 /nfs/dbraw/zinc/55/70/00/570557000.db2.gz DIKYKMXVNGGISZ-QGZVFWFLSA-N 1 2 386.521 3.889 50 0 GHAALO Clc1cccc(CN(CCn2cc[nH+]c2)Cc2nc(-c3ccncc3)no2)c1 ZINC000225480882 570578493 /nfs/dbraw/zinc/57/84/93/570578493.db2.gz MLRYNMPECKDRJA-UHFFFAOYSA-N 1 2 394.866 3.684 50 0 GHAALO CCc1cc(N2CCCC2)nc(SCc2ccc(C(=O)NC3CC3)cc2)[nH+]1 ZINC000006802078 570604725 /nfs/dbraw/zinc/60/47/25/570604725.db2.gz LGUOBVIMGDJUDP-UHFFFAOYSA-N 1 2 382.533 3.824 50 0 GHAALO O=C(C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1)Nc1cccc2ncccc21 ZINC000025075702 570722503 /nfs/dbraw/zinc/72/25/03/570722503.db2.gz IAEBUNUOMULSIV-UHFFFAOYSA-N 1 2 392.478 3.520 50 0 GHAALO O=C(C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1)Nc1cccc2ncccc21 ZINC000025075702 570722508 /nfs/dbraw/zinc/72/25/08/570722508.db2.gz IAEBUNUOMULSIV-UHFFFAOYSA-N 1 2 392.478 3.520 50 0 GHAALO O=C(c1csc(Nc2cccc(Cl)c2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000036704642 570792657 /nfs/dbraw/zinc/79/26/57/570792657.db2.gz HBESROBVGPJTBQ-UHFFFAOYSA-N 1 2 399.907 3.898 50 0 GHAALO O=C(NCc1ccccc1F)C1CCN(c2[nH]c3ccc(Cl)cc3[nH+]2)CC1 ZINC000033071189 570802837 /nfs/dbraw/zinc/80/28/37/570802837.db2.gz PQKIUSMUZXKJEK-UHFFFAOYSA-N 1 2 386.858 3.888 50 0 GHAALO Cc1ccc(OCCC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1C ZINC000032769171 570803478 /nfs/dbraw/zinc/80/34/78/570803478.db2.gz VUMPUOWSWRLGKY-NRFANRHFSA-N 1 2 381.451 3.851 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)NCCSc1ccccc1)c1ccc(F)cc1 ZINC000032802340 570821074 /nfs/dbraw/zinc/82/10/74/570821074.db2.gz UHBLWXFGCYSZKT-GOSISDBHSA-N 1 2 384.480 3.740 50 0 GHAALO CCOc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1 ZINC000037195877 570847015 /nfs/dbraw/zinc/84/70/15/570847015.db2.gz MGKDPMCXZYEEKX-BPXKWBHBSA-N 1 2 385.508 3.680 50 0 GHAALO CCOc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1 ZINC000037195877 570847018 /nfs/dbraw/zinc/84/70/18/570847018.db2.gz MGKDPMCXZYEEKX-BPXKWBHBSA-N 1 2 385.508 3.680 50 0 GHAALO CSc1ccc(NC(=O)NCc2ccc(C[NH+]3CCOCC3)o2)cc1Cl ZINC000170617017 570874679 /nfs/dbraw/zinc/87/46/79/570874679.db2.gz WZGBYVYFSLAENU-UHFFFAOYSA-N 1 2 395.912 3.809 50 0 GHAALO CCn1c[nH+]cc1CNC(=O)c1ccc(-c2nc(C)cc(C3CCC3)n2)cc1 ZINC000534587401 570905160 /nfs/dbraw/zinc/90/51/60/570905160.db2.gz YBPMNIDCJKPQHI-UHFFFAOYSA-N 1 2 375.476 3.866 50 0 GHAALO COC(=O)N1CCC[N@@H+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000089913673 570919055 /nfs/dbraw/zinc/91/90/55/570919055.db2.gz FXPHIEALISQRSU-GFCCVEGCSA-N 1 2 398.385 3.591 50 0 GHAALO COC(=O)N1CCC[N@H+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000089913673 570919056 /nfs/dbraw/zinc/91/90/56/570919056.db2.gz FXPHIEALISQRSU-GFCCVEGCSA-N 1 2 398.385 3.591 50 0 GHAALO C[C@H]1C[C@@H]1c1cc(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)n(-c2ccccc2)n1 ZINC000157944413 570920916 /nfs/dbraw/zinc/92/09/16/570920916.db2.gz YWNCEVGJDFVTRY-YJBOKZPZSA-N 1 2 384.443 3.829 50 0 GHAALO CCOC(=O)c1cnc(NC[C@@H](c2ccc(Cl)cc2)n2cc[nH+]c2)nc1C ZINC000585139183 570951436 /nfs/dbraw/zinc/95/14/36/570951436.db2.gz LRBKOOJLDCOIJZ-KRWDZBQOSA-N 1 2 385.855 3.513 50 0 GHAALO CCN(CC)c1cc(CNC(=O)Nc2cc(Cl)c(OC)cc2OC)cc[nH+]1 ZINC000033280253 570954331 /nfs/dbraw/zinc/95/43/31/570954331.db2.gz RGRRORHYERYNDQ-UHFFFAOYSA-N 1 2 392.887 3.920 50 0 GHAALO COc1ccc(N=c2scc(-c3ccc(C)cc3)n2N2CC[NH+](C)CC2)cc1 ZINC000252505740 570977784 /nfs/dbraw/zinc/97/77/84/570977784.db2.gz MLMQOZCVGOENFV-UHFFFAOYSA-N 1 2 394.544 3.649 50 0 GHAALO CC(C)c1ccc(-c2noc(C[NH+]3CCN(c4ccc(O)cc4)CC3)n2)cc1 ZINC000045560522 570992323 /nfs/dbraw/zinc/99/23/23/570992323.db2.gz MKQZXFLCQDPWJK-UHFFFAOYSA-N 1 2 378.476 3.888 50 0 GHAALO Cc1cc(C)n(Cc2ccc(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)cc2)n1 ZINC000084104806 570998419 /nfs/dbraw/zinc/99/84/19/570998419.db2.gz SOHZJDGGMGAPGP-UHFFFAOYSA-N 1 2 393.878 3.779 50 0 GHAALO O=C(CCc1ccc(F)cc1)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095362009 571055977 /nfs/dbraw/zinc/05/59/77/571055977.db2.gz RQNFJHLWUBMTGN-HXUWFJFHSA-N 1 2 392.478 3.804 50 0 GHAALO O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095510026 571081729 /nfs/dbraw/zinc/08/17/29/571081729.db2.gz ONKVARVUIXUEAI-SFHVURJKSA-N 1 2 376.460 3.968 50 0 GHAALO COCc1[nH+]cc(C)n1CCC1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000581813781 837713160 /nfs/dbraw/zinc/71/31/60/837713160.db2.gz HJKFZKOFWOKRIF-UHFFFAOYSA-N 1 2 380.492 3.762 50 0 GHAALO C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022787910 834696374 /nfs/dbraw/zinc/69/63/74/834696374.db2.gz DEWSNZJEPXQEKX-VQFGERMISA-N 1 2 397.950 3.676 50 0 GHAALO C[C@H](NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000022877163 835149426 /nfs/dbraw/zinc/14/94/26/835149426.db2.gz XSJIWDABDFHBHM-MEQKGCOVSA-N 1 2 397.950 3.848 50 0 GHAALO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)Oc1ccccc1 ZINC000056945388 861846884 /nfs/dbraw/zinc/84/68/84/861846884.db2.gz ISOWKHORMBGNLE-OAQYLSRUSA-N 1 2 391.471 3.932 50 0 GHAALO COc1ccc(OCC[NH+]2CCN(C(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000040095416 856659923 /nfs/dbraw/zinc/65/99/23/856659923.db2.gz KMOUVABTLJSDDA-UHFFFAOYSA-N 1 2 383.492 3.541 50 0 GHAALO Cc1cccn2cc(C[S@](=O)Cc3noc(-c4ccc(Cl)cc4)n3)[nH+]c12 ZINC000176511254 881386736 /nfs/dbraw/zinc/38/67/36/881386736.db2.gz RSFKTZIUVPCXAA-SANMLTNESA-N 1 2 386.864 3.795 50 0 GHAALO Cc1occc1C(=O)NC1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000155168546 881500383 /nfs/dbraw/zinc/50/03/83/881500383.db2.gz WFIPXGIMFSUFEW-UHFFFAOYSA-N 1 2 382.489 3.501 50 0 GHAALO S=C(Nc1ccc(Cl)cc1)N(CCC[NH+]1CCOCC1)Cc1ccco1 ZINC000020107624 860487515 /nfs/dbraw/zinc/48/75/15/860487515.db2.gz NBVGQWQUOSFFNZ-UHFFFAOYSA-N 1 2 393.940 3.854 50 0 GHAALO CCOC(=O)C1CC[NH+](Cc2cnc(Oc3ccc(OC)cc3)s2)CC1 ZINC000020218614 860519183 /nfs/dbraw/zinc/51/91/83/860519183.db2.gz RHYJFFIFBAHLNC-UHFFFAOYSA-N 1 2 376.478 3.719 50 0 GHAALO C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000022460603 861127968 /nfs/dbraw/zinc/12/79/68/861127968.db2.gz HFZBCRBVOKBVCC-KSSFIOAISA-N 1 2 392.956 3.900 50 0 GHAALO C[C@@H](NC(=O)Nc1cccc(Cl)c1)[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000022460610 861127978 /nfs/dbraw/zinc/12/79/78/861127978.db2.gz HFZBCRBVOKBVCC-KDOFPFPSSA-N 1 2 392.956 3.900 50 0 GHAALO COc1cccc(Oc2ccc(NC(=O)[C@@H]3Cc4ccccc4C[N@@H+]3C)cn2)c1 ZINC000824787923 864141029 /nfs/dbraw/zinc/14/10/29/864141029.db2.gz PFHMGKBGBMKTIA-NRFANRHFSA-N 1 2 389.455 3.878 50 0 GHAALO COc1cccc(Oc2ccc(NC(=O)[C@@H]3Cc4ccccc4C[N@H+]3C)cn2)c1 ZINC000824787923 864141043 /nfs/dbraw/zinc/14/10/43/864141043.db2.gz PFHMGKBGBMKTIA-NRFANRHFSA-N 1 2 389.455 3.878 50 0 GHAALO CC(C)c1nc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3F)C2)co1 ZINC000826573293 864694567 /nfs/dbraw/zinc/69/45/67/864694567.db2.gz WSCATAMFBHQKDH-CQSZACIVSA-N 1 2 377.435 3.718 50 0 GHAALO CC(C)c1nc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3F)C2)co1 ZINC000826573293 864694570 /nfs/dbraw/zinc/69/45/70/864694570.db2.gz WSCATAMFBHQKDH-CQSZACIVSA-N 1 2 377.435 3.718 50 0 GHAALO FC(F)(F)c1ccn(C2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)n1 ZINC000183165178 866314355 /nfs/dbraw/zinc/31/43/55/866314355.db2.gz KDXUSWXEQWSBEH-UHFFFAOYSA-N 1 2 391.397 3.713 50 0 GHAALO Cc1ccc(-c2nc(C[N@@H+](Cc3ccccc3)C[C@@H]3CCC(=O)N3)c(C)o2)o1 ZINC000012714945 919298951 /nfs/dbraw/zinc/29/89/51/919298951.db2.gz AKVLZRVSCHNKPD-SFHVURJKSA-N 1 2 379.460 3.832 50 0 GHAALO Cc1ccc(-c2nc(C[N@H+](Cc3ccccc3)C[C@@H]3CCC(=O)N3)c(C)o2)o1 ZINC000012714945 919298972 /nfs/dbraw/zinc/29/89/72/919298972.db2.gz AKVLZRVSCHNKPD-SFHVURJKSA-N 1 2 379.460 3.832 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(CCc2ccccn2)cc1)C1CC1 ZINC000426484811 231225767 /nfs/dbraw/zinc/22/57/67/231225767.db2.gz OQWACQLDNDNCFV-FQEVSTJZSA-N 1 2 375.476 3.873 50 0 GHAALO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(Br)cc1 ZINC000000785910 212181133 /nfs/dbraw/zinc/18/11/33/212181133.db2.gz DDZJJMBVLDITIT-AWEZNQCLSA-N 1 2 375.266 3.801 50 0 GHAALO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@]31c2ccccc2N(CC(C)C)C1=O ZINC000020064231 212149035 /nfs/dbraw/zinc/14/90/35/212149035.db2.gz LKULLQWAHRHBNB-HSZRJFAPSA-N 1 2 375.472 3.568 50 0 biogenic GHAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCSCC1)c1csc(-c2ccccc2)n1 ZINC000253395345 212135708 /nfs/dbraw/zinc/13/57/08/212135708.db2.gz BVKPVPGGDGZHMI-KRWDZBQOSA-N 1 2 399.541 3.923 50 0 GHAALO O=C(NC[C@H](c1ccoc1)[NH+]1CCSCC1)c1csc(-c2ccccc2)n1 ZINC000244909775 212133511 /nfs/dbraw/zinc/13/35/11/212133511.db2.gz AVAIFXGSNRLBEF-GOSISDBHSA-N 1 2 399.541 3.923 50 0 GHAALO COc1ccccc1N1CC[NH+](Cc2cc(=O)oc3ccc(Cl)cc23)CC1 ZINC000054220016 212131210 /nfs/dbraw/zinc/13/12/10/212131210.db2.gz QFXVLUDTMZIRJE-UHFFFAOYSA-N 1 2 384.863 3.777 50 0 GHAALO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008073226 221026001 /nfs/dbraw/zinc/02/60/01/221026001.db2.gz FULHLAPHNOJFIJ-IBGZPJMESA-N 1 2 396.487 3.941 50 0 GHAALO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008073226 221026003 /nfs/dbraw/zinc/02/60/03/221026003.db2.gz FULHLAPHNOJFIJ-IBGZPJMESA-N 1 2 396.487 3.941 50 0 GHAALO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310358 221035967 /nfs/dbraw/zinc/03/59/67/221035967.db2.gz DDASODWOWAUYTL-GOSISDBHSA-N 1 2 382.460 3.632 50 0 GHAALO COc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310358 221035970 /nfs/dbraw/zinc/03/59/70/221035970.db2.gz DDASODWOWAUYTL-GOSISDBHSA-N 1 2 382.460 3.632 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)CSc1ccc2ccccc2n1)c1ccccc1 ZINC000008719848 221051953 /nfs/dbraw/zinc/05/19/53/221051953.db2.gz IVPNDWOFRCRKDT-NRFANRHFSA-N 1 2 388.496 3.966 50 0 GHAALO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009377486 221079597 /nfs/dbraw/zinc/07/95/97/221079597.db2.gz DQFSCEWHKZNPRU-GOSISDBHSA-N 1 2 391.471 3.734 50 0 GHAALO C[N@H+](CC(=O)Nc1ccccc1N1CCCC1)Cc1cnn(-c2ccccc2)c1 ZINC000009548583 221085291 /nfs/dbraw/zinc/08/52/91/221085291.db2.gz CNHFOMXCODHXPV-UHFFFAOYSA-N 1 2 389.503 3.543 50 0 GHAALO C[N@@H+](CC(=O)Nc1ccccc1N1CCCC1)Cc1cnn(-c2ccccc2)c1 ZINC000009548583 221085294 /nfs/dbraw/zinc/08/52/94/221085294.db2.gz CNHFOMXCODHXPV-UHFFFAOYSA-N 1 2 389.503 3.543 50 0 GHAALO COc1cccc(CCC(=O)N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)c1 ZINC000011867267 221133616 /nfs/dbraw/zinc/13/36/16/221133616.db2.gz MLBUYUFYENJWFR-UHFFFAOYSA-N 1 2 389.499 3.833 50 0 GHAALO O=C(NCCc1cn2ccccc2[nH+]1)c1cc2c(s1)-c1ccccc1OC2 ZINC000011534447 221116948 /nfs/dbraw/zinc/11/69/48/221116948.db2.gz SDPRXHDXAKSVEI-UHFFFAOYSA-N 1 2 375.453 3.928 50 0 GHAALO CCOc1ccccc1C(=O)N1CCN(c2[nH+]ccn2-c2ccc(C)cc2)CC1 ZINC000012444663 221196578 /nfs/dbraw/zinc/19/65/78/221196578.db2.gz WTVLFZAODZXJCM-UHFFFAOYSA-N 1 2 390.487 3.542 50 0 GHAALO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3Cc3c[nH+]c(C)[nH]3)cc2)c1 ZINC000012446465 221197389 /nfs/dbraw/zinc/19/73/89/221197389.db2.gz HJIMGWHSBGGXOV-QFIPXVFZSA-N 1 2 390.487 3.997 50 0 GHAALO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3Cc3c[nH]c(C)[nH+]3)cc2)c1 ZINC000012446465 221197393 /nfs/dbraw/zinc/19/73/93/221197393.db2.gz HJIMGWHSBGGXOV-QFIPXVFZSA-N 1 2 390.487 3.997 50 0 GHAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(Br)cc1F)c1ccccc1 ZINC000012579880 221210455 /nfs/dbraw/zinc/21/04/55/221210455.db2.gz HAAVOJLTCYYLBC-MRXNPFEDSA-N 1 2 388.240 3.841 50 0 GHAALO Cc1ncc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)s1 ZINC000012748916 221224453 /nfs/dbraw/zinc/22/44/53/221224453.db2.gz QHQFOBMKXOGILR-LJQANCHMSA-N 1 2 381.505 3.630 50 0 GHAALO Cc1ncc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)s1 ZINC000012748916 221224455 /nfs/dbraw/zinc/22/44/55/221224455.db2.gz QHQFOBMKXOGILR-LJQANCHMSA-N 1 2 381.505 3.630 50 0 GHAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccccc2Cl)c1 ZINC000012902394 221243603 /nfs/dbraw/zinc/24/36/03/221243603.db2.gz QESYJOGHPHTBJI-IBGZPJMESA-N 1 2 388.895 3.811 50 0 GHAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)NCc2ccccc2Cl)c1 ZINC000012902394 221243606 /nfs/dbraw/zinc/24/36/06/221243606.db2.gz QESYJOGHPHTBJI-IBGZPJMESA-N 1 2 388.895 3.811 50 0 GHAALO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000012933164 221248138 /nfs/dbraw/zinc/24/81/38/221248138.db2.gz JKJDKPINHYXBNS-OAQYLSRUSA-N 1 2 392.499 3.767 50 0 GHAALO Cc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000012933164 221248139 /nfs/dbraw/zinc/24/81/39/221248139.db2.gz JKJDKPINHYXBNS-OAQYLSRUSA-N 1 2 392.499 3.767 50 0 GHAALO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000013627152 221278039 /nfs/dbraw/zinc/27/80/39/221278039.db2.gz VZDDYUWVNMROSI-NIJIEXERSA-N 1 2 390.414 3.794 50 0 GHAALO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000013627152 221278043 /nfs/dbraw/zinc/27/80/43/221278043.db2.gz VZDDYUWVNMROSI-NIJIEXERSA-N 1 2 390.414 3.794 50 0 GHAALO Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(C[N@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000013556646 221273583 /nfs/dbraw/zinc/27/35/83/221273583.db2.gz JESCEGBCQYUTEP-HOYKHHGWSA-N 1 2 392.499 3.634 50 0 GHAALO Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(C[N@@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000013556646 221273585 /nfs/dbraw/zinc/27/35/85/221273585.db2.gz JESCEGBCQYUTEP-HOYKHHGWSA-N 1 2 392.499 3.634 50 0 GHAALO CCOC(=O)c1nn(Cc2ccccc2)c2c1C[N@H+](Cc1ccccc1)CC2 ZINC000014542747 221312305 /nfs/dbraw/zinc/31/23/05/221312305.db2.gz NNOWIJOCPQKUKA-UHFFFAOYSA-N 1 2 375.472 3.666 50 0 GHAALO CCOC(=O)c1nn(Cc2ccccc2)c2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000014542747 221312308 /nfs/dbraw/zinc/31/23/08/221312308.db2.gz NNOWIJOCPQKUKA-UHFFFAOYSA-N 1 2 375.472 3.666 50 0 GHAALO O=C(c1ccccc1)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000014951285 221319984 /nfs/dbraw/zinc/31/99/84/221319984.db2.gz FFHRZRNJVLACLG-QGZVFWFLSA-N 1 2 391.427 3.560 50 0 GHAALO O=C(c1ccccc1)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000014951285 221319989 /nfs/dbraw/zinc/31/99/89/221319989.db2.gz FFHRZRNJVLACLG-QGZVFWFLSA-N 1 2 391.427 3.560 50 0 GHAALO C[C@@H](NC(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000015521301 221336154 /nfs/dbraw/zinc/33/61/54/221336154.db2.gz UMIQUGUBAKCTMD-QAPCUYQASA-N 1 2 376.497 3.746 50 0 GHAALO C[C@@H](NC(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000015521301 221336157 /nfs/dbraw/zinc/33/61/57/221336157.db2.gz UMIQUGUBAKCTMD-QAPCUYQASA-N 1 2 376.497 3.746 50 0 GHAALO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)o1 ZINC000016433775 221363066 /nfs/dbraw/zinc/36/30/66/221363066.db2.gz QDKPCAIIKIDNMD-HLLBOEOZSA-N 1 2 381.476 3.599 50 0 GHAALO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)o1 ZINC000016433775 221363068 /nfs/dbraw/zinc/36/30/68/221363068.db2.gz QDKPCAIIKIDNMD-HLLBOEOZSA-N 1 2 381.476 3.599 50 0 GHAALO CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000017077486 221375783 /nfs/dbraw/zinc/37/57/83/221375783.db2.gz UDVYCHMOOQAGQB-MRXNPFEDSA-N 1 2 378.563 3.768 50 0 GHAALO C[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018049127 221386293 /nfs/dbraw/zinc/38/62/93/221386293.db2.gz UTQYGKAMPZTGNC-IFXJQAMLSA-N 1 2 392.484 3.553 50 0 GHAALO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000018167958 221388450 /nfs/dbraw/zinc/38/84/50/221388450.db2.gz GJIDXFIGYOKGMM-QWQRMKEZSA-N 1 2 384.526 3.666 50 0 GHAALO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000018167958 221388452 /nfs/dbraw/zinc/38/84/52/221388452.db2.gz GJIDXFIGYOKGMM-QWQRMKEZSA-N 1 2 384.526 3.666 50 0 GHAALO Cc1[nH+]cnc(N2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)c1C ZINC000077522626 136172352 /nfs/dbraw/zinc/17/23/52/136172352.db2.gz HWEJYEPHCCMMBJ-UHFFFAOYSA-N 1 2 384.911 3.766 50 0 GHAALO Cc1cc(N2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)nc[nH+]1 ZINC000095506741 136180379 /nfs/dbraw/zinc/18/03/79/136180379.db2.gz LXYKYINBHNKDSP-QGZVFWFLSA-N 1 2 389.459 3.827 50 0 GHAALO CCc1[nH+]c([C@@H](C)CC)nc(N2CCN(C(C)=O)CC2)c1Cc1ccc(F)cc1 ZINC000096316936 136186265 /nfs/dbraw/zinc/18/62/65/136186265.db2.gz ICJDAVJEUCLWFM-INIZCTEOSA-N 1 2 398.526 3.951 50 0 GHAALO Cc1cnn(-c2ccc(C)cc2NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000158676117 136195894 /nfs/dbraw/zinc/19/58/94/136195894.db2.gz MCQVNLQYMSVFQZ-UHFFFAOYSA-N 1 2 390.491 3.675 50 0 GHAALO CCOC(=O)C1CC[NH+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC1 ZINC000057341673 222030985 /nfs/dbraw/zinc/03/09/85/222030985.db2.gz BUXVAUGYXLJMET-FQEVSTJZSA-N 1 2 384.451 3.781 50 0 GHAALO CCC[N@H+](Cc1nnc(-c2ccco2)o1)[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000057383058 222031081 /nfs/dbraw/zinc/03/10/81/222031081.db2.gz HYBCZRUUGICZAK-HXUWFJFHSA-N 1 2 394.475 3.905 50 0 GHAALO CCC[N@@H+](Cc1nnc(-c2ccco2)o1)[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000057383058 222031085 /nfs/dbraw/zinc/03/10/85/222031085.db2.gz HYBCZRUUGICZAK-HXUWFJFHSA-N 1 2 394.475 3.905 50 0 GHAALO O=C(NCc1ccnc(OC2CCCC2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000052821515 222008372 /nfs/dbraw/zinc/00/83/72/222008372.db2.gz XKWPLUAFLSSTFD-UHFFFAOYSA-N 1 2 376.460 3.578 50 0 GHAALO Cc1cccc(NC(=O)N2CCN(Cc3cn4cc(Cl)ccc4[nH+]3)CC2)c1 ZINC000058415645 222052000 /nfs/dbraw/zinc/05/20/00/222052000.db2.gz LNOZSRCLKRETCE-UHFFFAOYSA-N 1 2 383.883 3.646 50 0 GHAALO O=C(C[N@@H+]1CCCN(c2nccs2)CC1)Nc1cc(Cl)ccc1Cl ZINC000060099719 222057347 /nfs/dbraw/zinc/05/73/47/222057347.db2.gz JYRIADLMZUZEPJ-UHFFFAOYSA-N 1 2 385.320 3.601 50 0 GHAALO O=C(C[N@H+]1CCCN(c2nccs2)CC1)Nc1cc(Cl)ccc1Cl ZINC000060099719 222057348 /nfs/dbraw/zinc/05/73/48/222057348.db2.gz JYRIADLMZUZEPJ-UHFFFAOYSA-N 1 2 385.320 3.601 50 0 GHAALO CCNc1cc(N2CCC(CCC(=O)Nc3ccc(OCC)cc3)CC2)nc[nH+]1 ZINC000065274261 222120505 /nfs/dbraw/zinc/12/05/05/222120505.db2.gz IYMSPDOSLWVFJC-UHFFFAOYSA-N 1 2 397.523 3.942 50 0 GHAALO CCNc1cc(N2CCC(CCC(=O)Nc3ccc(OCC)cc3)CC2)[nH+]cn1 ZINC000065274261 222120509 /nfs/dbraw/zinc/12/05/09/222120509.db2.gz IYMSPDOSLWVFJC-UHFFFAOYSA-N 1 2 397.523 3.942 50 0 GHAALO CSc1cccc(NC(=O)Cn2ncc3c2nc[nH+]c3N2CCCCCC2)c1 ZINC000065295268 222120693 /nfs/dbraw/zinc/12/06/93/222120693.db2.gz DNNYJYRLLFUUKN-UHFFFAOYSA-N 1 2 396.520 3.567 50 0 GHAALO Clc1ccc(CN2CC[NH+](Cc3cnc(-c4ccccn4)nc3)CC2)cc1 ZINC000072151534 222212751 /nfs/dbraw/zinc/21/27/51/222212751.db2.gz JJXWCAGELKPJAR-UHFFFAOYSA-N 1 2 379.895 3.510 50 0 GHAALO Clc1ccc(C[NH+]2CCN(Cc3cnc(-c4ccccn4)nc3)CC2)cc1 ZINC000072151534 222212755 /nfs/dbraw/zinc/21/27/55/222212755.db2.gz JJXWCAGELKPJAR-UHFFFAOYSA-N 1 2 379.895 3.510 50 0 GHAALO Cc1nnc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)[nH]1 ZINC000095498139 222332236 /nfs/dbraw/zinc/33/22/36/222332236.db2.gz HCZKMQSRXIZXRX-UHFFFAOYSA-N 1 2 393.466 3.770 50 0 GHAALO CCc1noc(C)c1C(=O)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095503684 222335163 /nfs/dbraw/zinc/33/51/63/222335163.db2.gz KECATLQPLFRJDG-UHFFFAOYSA-N 1 2 378.476 3.810 50 0 GHAALO COCCn1cc[nH+]c1C1CCN(C(=O)[C@@H](C)Sc2ccc(C)cc2)CC1 ZINC000095502659 222336927 /nfs/dbraw/zinc/33/69/27/222336927.db2.gz QUDNQJRKSOELGP-QGZVFWFLSA-N 1 2 387.549 3.725 50 0 GHAALO O=C(C[NH+]1CCC(c2nnc(C(F)(F)F)o2)CC1)Nc1cccc(Cl)c1 ZINC000077198060 222275776 /nfs/dbraw/zinc/27/57/76/222275776.db2.gz VFVPJIWGQISTGL-UHFFFAOYSA-N 1 2 388.777 3.560 50 0 GHAALO O=C(Nc1ccc2c(c1)OCCO2)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000079075877 222303175 /nfs/dbraw/zinc/30/31/75/222303175.db2.gz PMTKDRWOXIKQPA-RXVVDRJESA-N 1 2 390.443 3.705 50 0 GHAALO CC(C)n1ccc2c1cccc2C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000079492262 222306838 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CCCC(=O)Nc1ccccc1N1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000020581730 570268824 /nfs/dbraw/zinc/26/88/24/570268824.db2.gz AGHAUWFFFSLNRR-UHFFFAOYSA-N 1 2 391.519 3.634 50 0 GHAALO COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cccc(-c3[nH]cc[nH+]3)c1)CC2 ZINC000215623696 570290325 /nfs/dbraw/zinc/29/03/25/570290325.db2.gz UKQLGLJDCOQNNN-AWEZNQCLSA-N 1 2 377.444 3.853 50 0 GHAALO CC(C)CN(C[C@@H]1C[N@H+](Cc2cccs2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034687193 570296076 /nfs/dbraw/zinc/29/60/76/570296076.db2.gz UCJKWJDUQXYUIV-IBGZPJMESA-N 1 2 390.524 3.886 50 0 GHAALO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccs2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034687193 570296078 /nfs/dbraw/zinc/29/60/78/570296078.db2.gz UCJKWJDUQXYUIV-IBGZPJMESA-N 1 2 390.524 3.886 50 0 GHAALO O=C(NCc1ccc(F)cc1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000034684747 570301710 /nfs/dbraw/zinc/30/17/10/570301710.db2.gz QGQGBHXKTKQFEN-UHFFFAOYSA-N 1 2 393.462 3.671 50 0 GHAALO CC[N@H+](CCCNC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccccc1 ZINC000022135847 570306494 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O=c1oc2cc(Br)ccc2n1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000036391084 570673050 /nfs/dbraw/zinc/67/30/50/570673050.db2.gz OWNLYIGZQCSJOO-SECBINFHSA-N 1 2 379.176 3.589 50 0 GHAALO O=c1oc2cc(Br)ccc2n1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000036391084 570673054 /nfs/dbraw/zinc/67/30/54/570673054.db2.gz OWNLYIGZQCSJOO-SECBINFHSA-N 1 2 379.176 3.589 50 0 GHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1)N1CCCCC1 ZINC000004341691 570676390 /nfs/dbraw/zinc/67/63/90/570676390.db2.gz XZXPHYZGIHNQEU-UHFFFAOYSA-N 1 2 387.896 3.574 50 0 GHAALO Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)C2)s1 ZINC000055168051 570685733 /nfs/dbraw/zinc/68/57/33/570685733.db2.gz NAFQFKKDKYSRCM-QGZVFWFLSA-N 1 2 387.524 3.622 50 0 GHAALO COc1cccc(NC(=O)[C@H]([NH2+]Cc2cn3ccccc3n2)c2ccccc2)c1 ZINC000007001890 570737280 /nfs/dbraw/zinc/73/72/80/570737280.db2.gz RRVZUKCCNVGQBG-JOCHJYFZSA-N 1 2 386.455 3.813 50 0 GHAALO O=C(CC1(Cn2cccc2)CCCCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000524732519 570769785 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CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)c1ccc(Cl)s1 ZINC000015061968 570874848 /nfs/dbraw/zinc/87/48/48/570874848.db2.gz ZBRJMCDDIMXLNP-UHFFFAOYSA-N 1 2 386.908 3.800 50 0 GHAALO O=C(Cc1cccc2ccccc21)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000022465327 570897945 /nfs/dbraw/zinc/89/79/45/570897945.db2.gz ADADMIWEPSNETR-FQEVSTJZSA-N 1 2 380.513 3.634 50 0 GHAALO Cc1cc(C)nc(-c2cccc(C(=O)N3CC[NH+](Cc4ccco4)CC3)c2)c1 ZINC000299801040 570898152 /nfs/dbraw/zinc/89/81/52/570898152.db2.gz XEUYJCVWDDPMJE-UHFFFAOYSA-N 1 2 375.472 3.916 50 0 GHAALO Cn1ccnc1-c1ccccc1C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000019227468 570964494 /nfs/dbraw/zinc/96/44/94/570964494.db2.gz OTBJFJKBDYLBIB-UHFFFAOYSA-N 1 2 394.906 3.699 50 0 GHAALO O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000107157187 570972161 /nfs/dbraw/zinc/97/21/61/570972161.db2.gz UDFXPFALALUPSA-NHCUHLMSSA-N 1 2 395.890 3.547 50 0 GHAALO O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000107157187 570972165 /nfs/dbraw/zinc/97/21/65/570972165.db2.gz UDFXPFALALUPSA-NHCUHLMSSA-N 1 2 395.890 3.547 50 0 GHAALO Cc1nc([C@H](C)[N@@H+]2CCc3nn(C)c(=O)cc3C2)oc1-c1ccc(Cl)cc1 ZINC000084061265 570992506 /nfs/dbraw/zinc/99/25/06/570992506.db2.gz XMESHZRUMFAVCE-ZDUSSCGKSA-N 1 2 384.867 3.516 50 0 GHAALO Cc1nc([C@H](C)[N@H+]2CCc3nn(C)c(=O)cc3C2)oc1-c1ccc(Cl)cc1 ZINC000084061265 570992509 /nfs/dbraw/zinc/99/25/09/570992509.db2.gz XMESHZRUMFAVCE-ZDUSSCGKSA-N 1 2 384.867 3.516 50 0 GHAALO COc1cc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc(OC)c1OC ZINC000019549854 571000172 /nfs/dbraw/zinc/00/01/72/571000172.db2.gz IGOKPSZNWXNWHZ-UHFFFAOYSA-N 1 2 390.911 3.684 50 0 GHAALO COc1cc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc(OC)c1OC ZINC000019549854 571000177 /nfs/dbraw/zinc/00/01/77/571000177.db2.gz IGOKPSZNWXNWHZ-UHFFFAOYSA-N 1 2 390.911 3.684 50 0 GHAALO O=C(N[C@@H](CCn1cc[nH+]c1)c1ccccc1)c1cc(-c2ccccc2O)n[nH]1 ZINC000091365173 571005423 /nfs/dbraw/zinc/00/54/23/571005423.db2.gz KZYLFKQCEFTOJU-SFHVURJKSA-N 1 2 387.443 3.540 50 0 GHAALO CCc1nn2c(nc(C[N@H+](Cc3ccco3)Cc3ccccc3)cc2=O)s1 ZINC000046032352 571014327 /nfs/dbraw/zinc/01/43/27/571014327.db2.gz DRXDVRVNEYKLQC-UHFFFAOYSA-N 1 2 380.473 3.509 50 0 GHAALO CCc1nn2c(nc(C[N@@H+](Cc3ccco3)Cc3ccccc3)cc2=O)s1 ZINC000046032352 571014328 /nfs/dbraw/zinc/01/43/28/571014328.db2.gz DRXDVRVNEYKLQC-UHFFFAOYSA-N 1 2 380.473 3.509 50 0 GHAALO O=C(CCc1cccc(F)c1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091551657 571014447 /nfs/dbraw/zinc/01/44/47/571014447.db2.gz ZOQGEQJUFFNNGY-FQEVSTJZSA-N 1 2 392.478 3.804 50 0 GHAALO O=C(Nc1ccc(OC(F)(F)F)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000084475283 571018951 /nfs/dbraw/zinc/01/89/51/571018951.db2.gz QZZBQINRPQIDNO-UHFFFAOYSA-N 1 2 385.411 3.996 50 0 GHAALO CCCCSc1ncc(C[N@@H+]2CCC[C@H]2c2ccc(C(N)=O)s2)cn1 ZINC000019595445 571021055 /nfs/dbraw/zinc/02/10/55/571021055.db2.gz FIXRSFDDYCYMID-AWEZNQCLSA-N 1 2 376.551 3.866 50 0 GHAALO CCCCSc1ncc(C[N@H+]2CCC[C@H]2c2ccc(C(N)=O)s2)cn1 ZINC000019595445 571021058 /nfs/dbraw/zinc/02/10/58/571021058.db2.gz FIXRSFDDYCYMID-AWEZNQCLSA-N 1 2 376.551 3.866 50 0 GHAALO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)Nc2nccs2)cc1 ZINC000043160856 571022845 /nfs/dbraw/zinc/02/28/45/571022845.db2.gz UTHKXBQNLVHYLI-UHFFFAOYSA-N 1 2 385.493 3.863 50 0 GHAALO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000079020249 842531804 /nfs/dbraw/zinc/53/18/04/842531804.db2.gz NGABRZLRJPAUDO-ZBFHGGJFSA-N 1 2 395.931 3.917 50 0 GHAALO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000079020249 842531811 /nfs/dbraw/zinc/53/18/11/842531811.db2.gz NGABRZLRJPAUDO-ZBFHGGJFSA-N 1 2 395.931 3.917 50 0 GHAALO O=C(C[C@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1)NC1CCCCCCC1 ZINC000003046222 862142830 /nfs/dbraw/zinc/14/28/30/862142830.db2.gz UNLIQQKQFHEKQF-OAQYLSRUSA-N 1 2 394.519 3.633 50 0 GHAALO C[N@H+](CC(=O)Nc1cccc(I)c1)Cc1ccc(F)cc1 ZINC000003338085 862348463 /nfs/dbraw/zinc/34/84/63/862348463.db2.gz JNQMDKCAUNOPSS-UHFFFAOYSA-N 1 2 398.219 3.501 50 0 GHAALO C[N@@H+](CC(=O)Nc1cccc(I)c1)Cc1ccc(F)cc1 ZINC000003338085 862348478 /nfs/dbraw/zinc/34/84/78/862348478.db2.gz JNQMDKCAUNOPSS-UHFFFAOYSA-N 1 2 398.219 3.501 50 0 GHAALO Cc1cc(N2CCN(C(=O)[C@H](C)SCc3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000040144538 856680105 /nfs/dbraw/zinc/68/01/05/856680105.db2.gz BUDCKKAKLICQAC-SFHVURJKSA-N 1 2 398.576 3.879 50 0 GHAALO Cc1c(O)ccc2c(C[NH+]3CCN(Cc4cccc(Cl)c4)CC3)cc(=O)oc12 ZINC000040162238 856692489 /nfs/dbraw/zinc/69/24/89/856692489.db2.gz GQQVOIPNYNIQMA-UHFFFAOYSA-N 1 2 398.890 3.778 50 0 GHAALO Cc1c(O)ccc2c(CN3CC[NH+](Cc4cccc(Cl)c4)CC3)cc(=O)oc12 ZINC000040162238 856692502 /nfs/dbraw/zinc/69/25/02/856692502.db2.gz GQQVOIPNYNIQMA-UHFFFAOYSA-N 1 2 398.890 3.778 50 0 GHAALO Cc1ccc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000040408312 856787040 /nfs/dbraw/zinc/78/70/40/856787040.db2.gz ZVMPISVCRGGGBO-HXUWFJFHSA-N 1 2 385.552 3.683 50 0 GHAALO CCc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2ccccn2)cc1 ZINC000020107744 860487436 /nfs/dbraw/zinc/48/74/36/860487436.db2.gz KUXHLGBQGNYBLP-UHFFFAOYSA-N 1 2 398.576 3.565 50 0 GHAALO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[C@H]2CCOc3ccccc32)CC1 ZINC000095406665 860568031 /nfs/dbraw/zinc/56/80/31/860568031.db2.gz OWEMCGSLUNAGMO-IEBWSBKVSA-N 1 2 382.479 3.987 50 0 GHAALO Cc1cc2nc(-c3ccc(CNC(=O)[C@H]4CCn5c[nH+]cc5C4)cc3)[nH]c2cc1C ZINC000095972839 860727345 /nfs/dbraw/zinc/72/73/45/860727345.db2.gz IIIXPKNOJBNMHN-IBGZPJMESA-N 1 2 399.498 3.922 50 0 GHAALO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)no2)cc1 ZINC000021724177 860924675 /nfs/dbraw/zinc/92/46/75/860924675.db2.gz NFTDARFZDGYZQG-UHFFFAOYSA-N 1 2 376.460 3.896 50 0 GHAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4O)C3)no2)cc1 ZINC000021724687 860925118 /nfs/dbraw/zinc/92/51/18/860925118.db2.gz IGHCICVRVDOZMP-KRWDZBQOSA-N 1 2 392.459 3.601 50 0 GHAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4ccccc4O)C3)no2)cc1 ZINC000021724687 860925130 /nfs/dbraw/zinc/92/51/30/860925130.db2.gz IGHCICVRVDOZMP-KRWDZBQOSA-N 1 2 392.459 3.601 50 0 GHAALO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)cc1 ZINC000021794771 860942251 /nfs/dbraw/zinc/94/22/51/860942251.db2.gz BFDQRRRXDZFPPU-UHFFFAOYSA-N 1 2 397.504 3.704 50 0 GHAALO COc1ccc(-c2ccc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)c(=O)[nH]2)cc1 ZINC000824689230 864107056 /nfs/dbraw/zinc/10/70/56/864107056.db2.gz DTDLXBRRJVJHAM-LJQANCHMSA-N 1 2 394.475 3.504 50 0 GHAALO Cc1cnn(CCC(=O)N2CCC[C@H](n3c(C)c[nH+]c3-c3ccccc3)C2)c1 ZINC000575546459 866187786 /nfs/dbraw/zinc/18/77/86/866187786.db2.gz OXJUOXFXKSOQIU-FQEVSTJZSA-N 1 2 377.492 3.617 50 0 GHAALO Cc1ncc(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)o1 ZINC000628256723 882023336 /nfs/dbraw/zinc/02/33/36/882023336.db2.gz JPALRBJSOPHXAP-CYBMUJFWSA-N 1 2 379.176 3.588 50 0 GHAALO CCc1nc2cc(NC(=O)[C@H](c3cccnc3)[NH+]3CCCC3)ccc2n1CC ZINC000952968707 904663498 /nfs/dbraw/zinc/66/34/98/904663498.db2.gz DEPHFWVGTPWJTE-NRFANRHFSA-N 1 2 377.492 3.789 50 0 GHAALO CC(C)CC(=O)Nc1ccc(NC(=O)[C@H](c2cccnc2)[NH+]2CCCC2)cc1 ZINC000952989999 904675513 /nfs/dbraw/zinc/67/55/13/904675513.db2.gz VBJWXLWMRMXLIX-NRFANRHFSA-N 1 2 380.492 3.842 50 0 GHAALO FC(F)(F)c1ccccc1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019537684 919585369 /nfs/dbraw/zinc/58/53/69/919585369.db2.gz FZIHWFBVZJYBBN-UHFFFAOYSA-N 1 2 378.394 3.752 50 0 GHAALO COCc1ccc([C@@H]2CCC[N@@H+]2CCCS(=O)(=O)c2ccc(C)cc2)o1 ZINC000131150521 923437210 /nfs/dbraw/zinc/43/72/10/923437210.db2.gz ZMTBOFBPBCYNMD-IBGZPJMESA-N 1 2 377.506 3.735 50 0 GHAALO COCc1ccc([C@@H]2CCC[N@H+]2CCCS(=O)(=O)c2ccc(C)cc2)o1 ZINC000131150521 923437222 /nfs/dbraw/zinc/43/72/22/923437222.db2.gz ZMTBOFBPBCYNMD-IBGZPJMESA-N 1 2 377.506 3.735 50 0 GHAALO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C\c2c(Cl)nc3ccccn32)c1C ZINC000096187977 212154509 /nfs/dbraw/zinc/15/45/09/212154509.db2.gz NFXYANMDGVPLTB-HJWRWDBZSA-N 1 2 384.867 3.680 50 0 GHAALO CC(C)c1ccc(C[NH2+][C@@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 ZINC000263616035 212141820 /nfs/dbraw/zinc/14/18/20/212141820.db2.gz GPHCWQXKJBDDKH-NRFANRHFSA-N 1 2 378.451 3.844 50 0 GHAALO COc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000253406935 212135540 /nfs/dbraw/zinc/13/55/40/212135540.db2.gz VHBIWFYFOKAYAW-OAHLLOKOSA-N 1 2 395.912 3.853 50 0 GHAALO COc1ccc(C(=O)NCCn2c(C)[nH+]c3ccccc32)cc1Br ZINC000008135880 221028303 /nfs/dbraw/zinc/02/83/03/221028303.db2.gz ZVHCCSGAJHSQGB-UHFFFAOYSA-N 1 2 388.265 3.546 50 0 GHAALO c1ccc(-n2nnnc2C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000008315067 221036367 /nfs/dbraw/zinc/03/63/67/221036367.db2.gz YRGKYCOQOUMIBK-UHFFFAOYSA-N 1 2 376.489 3.652 50 0 GHAALO Cc1nc(N2CCN(C(=O)C3CCC3)CC2)c(Cc2ccc(Cl)cc2)c(C)[nH+]1 ZINC000008536014 221043589 /nfs/dbraw/zinc/04/35/89/221043589.db2.gz BPWQCAGZDIXMAB-UHFFFAOYSA-N 1 2 398.938 3.786 50 0 GHAALO COc1ccc(C(=O)N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)cc1OC ZINC000009340283 221077792 /nfs/dbraw/zinc/07/77/92/221077792.db2.gz HBCIUWKSMXKWNK-UHFFFAOYSA-N 1 2 391.471 3.523 50 0 GHAALO Cc1cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)[nH+]c2ccccc12 ZINC000009052773 221068956 /nfs/dbraw/zinc/06/89/56/221068956.db2.gz VIPLLBJWWLCGQW-UHFFFAOYSA-N 1 2 395.890 3.924 50 0 GHAALO CC[N@H+](CCn1cccn1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000011812973 221126597 /nfs/dbraw/zinc/12/65/97/221126597.db2.gz VDACSRANYCKEOE-UHFFFAOYSA-N 1 2 387.487 3.968 50 0 GHAALO CC[N@@H+](CCn1cccn1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000011812973 221126600 /nfs/dbraw/zinc/12/66/00/221126600.db2.gz VDACSRANYCKEOE-UHFFFAOYSA-N 1 2 387.487 3.968 50 0 GHAALO CCOC(=O)c1c(C)c2ccccc2nc1CSc1[nH+]cnc2c1cnn2C ZINC000011682740 221119611 /nfs/dbraw/zinc/11/96/11/221119611.db2.gz LFVOLHBSJNYQSF-UHFFFAOYSA-N 1 2 393.472 3.689 50 0 GHAALO CC(C)c1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)n[nH]1 ZINC000011934727 221138587 /nfs/dbraw/zinc/13/85/87/221138587.db2.gz LKMPTIHTBMZUOB-JOCHJYFZSA-N 1 2 384.499 3.801 50 0 GHAALO CC(C)c1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)n[nH]1 ZINC000011934727 221138589 /nfs/dbraw/zinc/13/85/89/221138589.db2.gz LKMPTIHTBMZUOB-JOCHJYFZSA-N 1 2 384.499 3.801 50 0 GHAALO Cc1cccc(C(=O)Nc2ccccc2C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000012532384 221203044 /nfs/dbraw/zinc/20/30/44/221203044.db2.gz VRLFANCOOABBAS-UHFFFAOYSA-N 1 2 384.439 3.825 50 0 GHAALO Cc1cc(OCC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)ccc1Cl ZINC000012549831 221204942 /nfs/dbraw/zinc/20/49/42/221204942.db2.gz IJQIHRWOPRAUAH-IBGZPJMESA-N 1 2 387.842 3.806 50 0 GHAALO Cn1cc[nH+]c1[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000012629346 221215436 /nfs/dbraw/zinc/21/54/36/221215436.db2.gz GVCWRYMAZIHZPI-SFHVURJKSA-N 1 2 389.377 3.724 50 0 GHAALO CCOC(=O)c1sc2nc(C[N@H+](C)Cc3cccc(F)c3)nc(N)c2c1C ZINC000012587503 221211582 /nfs/dbraw/zinc/21/15/82/221211582.db2.gz SMAYUHCDDJVTGR-UHFFFAOYSA-N 1 2 388.468 3.530 50 0 GHAALO CCOC(=O)c1sc2nc(C[N@@H+](C)Cc3cccc(F)c3)nc(N)c2c1C ZINC000012587503 221211584 /nfs/dbraw/zinc/21/15/84/221211584.db2.gz SMAYUHCDDJVTGR-UHFFFAOYSA-N 1 2 388.468 3.530 50 0 GHAALO COc1ccc(C2=NN(C(=O)C[NH2+][C@H](C)c3ccco3)[C@@H](c3ccco3)C2)cc1 ZINC000012772951 221229508 /nfs/dbraw/zinc/22/95/08/221229508.db2.gz HOHPVAPRNMPMIN-DNVCBOLYSA-N 1 2 393.443 3.910 50 0 GHAALO O=C1CC2(CCCC2)C(=O)N1C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012936082 221247824 /nfs/dbraw/zinc/24/78/24/221247824.db2.gz DZKOIJHXXJHVJB-HXUWFJFHSA-N 1 2 380.513 3.972 50 0 GHAALO O=C1CC2(CCCC2)C(=O)N1C[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000012936082 221247827 /nfs/dbraw/zinc/24/78/27/221247827.db2.gz DZKOIJHXXJHVJB-HXUWFJFHSA-N 1 2 380.513 3.972 50 0 GHAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000013012837 221258325 /nfs/dbraw/zinc/25/83/25/221258325.db2.gz ZRYJYLGDLZPAAU-UHFFFAOYSA-N 1 2 393.466 3.553 50 0 GHAALO O=C1C[N@H+](Cc2ccccn2)C[C@H](OCc2ccccc2)CN1C1CCCCC1 ZINC000014746870 221315659 /nfs/dbraw/zinc/31/56/59/221315659.db2.gz XOZMACVOLBIJHX-QHCPKHFHSA-N 1 2 393.531 3.644 50 0 GHAALO O=C1C[N@@H+](Cc2ccccn2)C[C@H](OCc2ccccc2)CN1C1CCCCC1 ZINC000014746870 221315663 /nfs/dbraw/zinc/31/56/63/221315663.db2.gz XOZMACVOLBIJHX-QHCPKHFHSA-N 1 2 393.531 3.644 50 0 GHAALO C[N@@H+]1CCc2nc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)sc2C1 ZINC000018104041 221387221 /nfs/dbraw/zinc/38/72/21/221387221.db2.gz CYZQZMJEVJWSFI-UHFFFAOYSA-N 1 2 388.493 3.730 50 0 GHAALO C[N@H+]1CCc2nc(NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)sc2C1 ZINC000018104041 221387224 /nfs/dbraw/zinc/38/72/24/221387224.db2.gz CYZQZMJEVJWSFI-UHFFFAOYSA-N 1 2 388.493 3.730 50 0 GHAALO COc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000020543136 221497579 /nfs/dbraw/zinc/49/75/79/221497579.db2.gz GJRHGDHZDMEXOQ-UHFFFAOYSA-N 1 2 377.847 3.837 50 0 GHAALO O=C(NCc1ccc[nH+]c1N1CCOCC1)Nc1ccc(Cl)cc1Cl ZINC000040096582 132395541 /nfs/dbraw/zinc/39/55/41/132395541.db2.gz LKCHQFLDWBUNPB-UHFFFAOYSA-N 1 2 381.263 3.547 50 0 GHAALO CN(Cc1ccccc1)C(=O)CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000065245249 136161543 /nfs/dbraw/zinc/16/15/43/136161543.db2.gz BLQKRHOZLMUONA-LJQANCHMSA-N 1 2 393.535 3.706 50 0 GHAALO CN(Cc1ccccc1)C(=O)CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000065245249 136161544 /nfs/dbraw/zinc/16/15/44/136161544.db2.gz BLQKRHOZLMUONA-LJQANCHMSA-N 1 2 393.535 3.706 50 0 GHAALO Cc1cc(C)c(NC(=O)CN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c(C)c1 ZINC000012783923 136200543 /nfs/dbraw/zinc/20/05/43/136200543.db2.gz CYVCRGSZNKFWFZ-UHFFFAOYSA-N 1 2 395.551 3.594 50 0 GHAALO CN(CC[NH+]1CCOCC1)C(=O)C[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000023337829 221592375 /nfs/dbraw/zinc/59/23/75/221592375.db2.gz DQYOKAZYRWWVCN-NRFANRHFSA-N 1 2 386.923 3.653 50 0 GHAALO O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)[NH+]1CCC2(CC1)OCCO2 ZINC000049629725 222000501 /nfs/dbraw/zinc/00/05/01/222000501.db2.gz AXWUDPBQSALTOE-IBGZPJMESA-N 1 2 392.927 3.669 50 0 GHAALO CSc1nnc(C[N@H+](C)Cc2ccc(SC)cc2)n1C[C@@H]1CCCO1 ZINC000055119922 222015503 /nfs/dbraw/zinc/01/55/03/222015503.db2.gz NQEPSYWSIQBBOG-HNNXBMFYSA-N 1 2 378.567 3.533 50 0 GHAALO CSc1nnc(C[N@@H+](C)Cc2ccc(SC)cc2)n1C[C@@H]1CCCO1 ZINC000055119922 222015508 /nfs/dbraw/zinc/01/55/08/222015508.db2.gz NQEPSYWSIQBBOG-HNNXBMFYSA-N 1 2 378.567 3.533 50 0 GHAALO C[N@@H+](Cc1nc(Cc2ccccc2Cl)no1)C[C@H]1COc2ccccc2O1 ZINC000055357649 222019474 /nfs/dbraw/zinc/01/94/74/222019474.db2.gz LTFKMGOUDDKQLM-HNNXBMFYSA-N 1 2 385.851 3.586 50 0 GHAALO C[N@H+](Cc1nc(Cc2ccccc2Cl)no1)C[C@H]1COc2ccccc2O1 ZINC000055357649 222019480 /nfs/dbraw/zinc/01/94/80/222019480.db2.gz LTFKMGOUDDKQLM-HNNXBMFYSA-N 1 2 385.851 3.586 50 0 GHAALO COc1ccccc1C[N@H+](Cc1cccnc1)Cc1ccccc1OCCO ZINC000055360361 222020616 /nfs/dbraw/zinc/02/06/16/222020616.db2.gz IRDLSGBGJBTMGD-UHFFFAOYSA-N 1 2 378.472 3.664 50 0 GHAALO COc1ccccc1C[N@@H+](Cc1cccnc1)Cc1ccccc1OCCO ZINC000055360361 222020619 /nfs/dbraw/zinc/02/06/19/222020619.db2.gz IRDLSGBGJBTMGD-UHFFFAOYSA-N 1 2 378.472 3.664 50 0 GHAALO O=C(C1CCCC1)N1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000065172415 222106142 /nfs/dbraw/zinc/10/61/42/222106142.db2.gz CMDJQRXKRQUDCO-UHFFFAOYSA-N 1 2 388.899 3.615 50 0 GHAALO O=C(C1CCCC1)N1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000065172415 222106145 /nfs/dbraw/zinc/10/61/45/222106145.db2.gz CMDJQRXKRQUDCO-UHFFFAOYSA-N 1 2 388.899 3.615 50 0 GHAALO CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000058033960 222036881 /nfs/dbraw/zinc/03/68/81/222036881.db2.gz XUKASYONQWGCKS-LAUBAEHRSA-N 1 2 396.535 3.771 50 0 GHAALO Cc1cc(NCc2ccc(C(=O)N(C)C(C)C)cc2)nc(-c2ccncc2)[nH+]1 ZINC000058192329 222044438 /nfs/dbraw/zinc/04/44/38/222044438.db2.gz BYUGNZKOLFELRH-UHFFFAOYSA-N 1 2 375.476 3.940 50 0 GHAALO Fc1ccc([C@@H](c2nnc(-c3ccccc3)o2)[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000063648881 222067337 /nfs/dbraw/zinc/06/73/37/222067337.db2.gz KSQYDCGBEKTNRG-IBGZPJMESA-N 1 2 395.434 3.804 50 0 GHAALO C[C@@H]1C[N@H+](CC(=O)NC2CCC(C(F)(F)F)CC2)C[C@H](c2ccccc2)O1 ZINC000065515141 222134215 /nfs/dbraw/zinc/13/42/15/222134215.db2.gz UBVITWSMCADBEF-AGERRDQYSA-N 1 2 384.442 3.686 50 0 GHAALO C[C@@H]1C[N@@H+](CC(=O)NC2CCC(C(F)(F)F)CC2)C[C@H](c2ccccc2)O1 ZINC000065515141 222134220 /nfs/dbraw/zinc/13/42/20/222134220.db2.gz UBVITWSMCADBEF-AGERRDQYSA-N 1 2 384.442 3.686 50 0 GHAALO Cc1ccc(-c2nccn2C[C@H](c2ccccn2)[NH+]2CCOCC2)c(C)c1F ZINC000071748571 222190273 /nfs/dbraw/zinc/19/02/73/222190273.db2.gz KOEYWXMYRAUXBX-HXUWFJFHSA-N 1 2 380.467 3.775 50 0 GHAALO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@H+](CCn1cccn1)C2 ZINC000067688749 222155633 /nfs/dbraw/zinc/15/56/33/222155633.db2.gz HIOWAZWDWYOZEH-UHFFFAOYSA-N 1 2 392.484 3.760 50 0 GHAALO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@@H+](CCn1cccn1)C2 ZINC000067688749 222155635 /nfs/dbraw/zinc/15/56/35/222155635.db2.gz HIOWAZWDWYOZEH-UHFFFAOYSA-N 1 2 392.484 3.760 50 0 GHAALO Cc1ccc(-n2cc(CN3CCc4[nH+]c[nH]c4[C@@H]3c3ccncc3)cn2)cc1C ZINC000067885109 222166082 /nfs/dbraw/zinc/16/60/82/222166082.db2.gz WAQYJYLAKHKBQT-QHCPKHFHSA-N 1 2 384.487 3.755 50 0 GHAALO CN(CCc1ccccn1)c1[nH+]cccc1CNC(=O)[C@@H]1CCc2ccccc21 ZINC000067947515 222169835 /nfs/dbraw/zinc/16/98/35/222169835.db2.gz CGNOVUHNAOJBHV-JOCHJYFZSA-N 1 2 386.499 3.502 50 0 GHAALO CCc1cc(NCCC(=O)N2CCc3sccc3C2)nc(-c2ccncc2)[nH+]1 ZINC000068695450 222172051 /nfs/dbraw/zinc/17/20/51/222172051.db2.gz BUTRMCQLOBBHKU-UHFFFAOYSA-N 1 2 393.516 3.549 50 0 GHAALO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCCn4nc(C)cc4C3)c(C)o2)c1 ZINC000071745214 222188317 /nfs/dbraw/zinc/18/83/17/222188317.db2.gz BXJCEVUYEJUNLQ-UHFFFAOYSA-N 1 2 382.464 3.578 50 0 GHAALO COc1ccc(OC)c(-c2nc(C[N@H+]3CCCn4nc(C)cc4C3)c(C)o2)c1 ZINC000071745214 222188322 /nfs/dbraw/zinc/18/83/22/222188322.db2.gz BXJCEVUYEJUNLQ-UHFFFAOYSA-N 1 2 382.464 3.578 50 0 GHAALO Cc1noc(C[NH+]2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)n1 ZINC000071889285 222200098 /nfs/dbraw/zinc/20/00/98/222200098.db2.gz LKHWEHNSUSDNEN-HXUWFJFHSA-N 1 2 382.508 3.675 50 0 GHAALO CC(=O)Nc1ccc(-c2[nH+]ccn2Cc2nc(C)cc(C(F)(F)F)n2)cc1 ZINC000072166523 222215380 /nfs/dbraw/zinc/21/53/80/222215380.db2.gz CRIQNOBXOIRCSX-UHFFFAOYSA-N 1 2 375.354 3.674 50 0 GHAALO O=C(c1cnc2c(c1)CCCC2)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000095501672 222334589 /nfs/dbraw/zinc/33/45/89/222334589.db2.gz ZNXSPGFZZVKNHS-UHFFFAOYSA-N 1 2 378.520 3.977 50 0 GHAALO O=C(c1ccc(Cl)cc1)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095502161 222335370 /nfs/dbraw/zinc/33/53/70/222335370.db2.gz QWRWRDUTGQELGH-UHFFFAOYSA-N 1 2 380.879 4.000 50 0 GHAALO COc1ccccc1CC(=O)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095506778 222338159 /nfs/dbraw/zinc/33/81/59/222338159.db2.gz QGGTVDILRCBUDW-UHFFFAOYSA-N 1 2 389.499 3.889 50 0 GHAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC([C@H](O)CCc2ccccc2)CC1 ZINC000077421501 222281541 /nfs/dbraw/zinc/28/15/41/222281541.db2.gz CJZSMLOZJJVNPW-HSZRJFAPSA-N 1 2 389.499 3.718 50 0 GHAALO Cc1cc2c(cc1-c1[nH+]ccn1Cc1nc(Cc3cccs3)no1)OCO2 ZINC000077452752 222282808 /nfs/dbraw/zinc/28/28/08/222282808.db2.gz GASRBJSFIAFPMM-UHFFFAOYSA-N 1 2 380.429 3.671 50 0 GHAALO CCc1[nH+]ccn1CCC(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 ZINC000077470859 222283406 /nfs/dbraw/zinc/28/34/06/222283406.db2.gz WASBMGCYBHNOGF-UHFFFAOYSA-N 1 2 377.492 3.632 50 0 GHAALO O=C(NC[C@@H]1CCC[N@H+](Cc2cscn2)C1)c1cccc(C(F)(F)F)c1 ZINC000095525100 222349262 /nfs/dbraw/zinc/34/92/62/222349262.db2.gz YKMJPJOTORBQNY-ZDUSSCGKSA-N 1 2 383.439 3.804 50 0 GHAALO O=C(NC[C@@H]1CCC[N@@H+](Cc2cscn2)C1)c1cccc(C(F)(F)F)c1 ZINC000095525100 222349266 /nfs/dbraw/zinc/34/92/66/222349266.db2.gz YKMJPJOTORBQNY-ZDUSSCGKSA-N 1 2 383.439 3.804 50 0 GHAALO C[C@@H](O)c1ccc(-c2ccc(C(=O)N(C)CCCc3[nH+]ccn3C)cc2)cc1 ZINC000426433552 533864241 /nfs/dbraw/zinc/86/42/41/533864241.db2.gz DYEYVYHSGBCPHP-QGZVFWFLSA-N 1 2 377.488 3.845 50 0 GHAALO CN(C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CCCCC1 ZINC000095349162 535989100 /nfs/dbraw/zinc/98/91/00/535989100.db2.gz PFNINNHQDFHNCZ-UHFFFAOYSA-N 1 2 383.458 3.619 50 0 GHAALO COc1ccc(NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1Cl ZINC000058139187 536767374 /nfs/dbraw/zinc/76/73/74/536767374.db2.gz FCPQGYSFJOJGFH-UHFFFAOYSA-N 1 2 394.302 3.763 50 0 GHAALO Cc1cccc(C[NH+]2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000019842658 570225182 /nfs/dbraw/zinc/22/51/82/570225182.db2.gz FMVFXQODZMVSQO-UHFFFAOYSA-N 1 2 380.513 3.655 50 0 GHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cnn(-c2ccccc2)c1 ZINC000048286619 570231557 /nfs/dbraw/zinc/23/15/57/570231557.db2.gz PRTRXXBHMZGZCQ-UHFFFAOYSA-N 1 2 375.476 3.578 50 0 GHAALO O=c1[nH]c(=S)n(CCC2=CCCCC2)c(O)c1[C@@H]1[NH2+]CCc2ccccc21 ZINC000020149655 570244042 /nfs/dbraw/zinc/24/40/42/570244042.db2.gz LWDWSQAXOLKUTE-GOSISDBHSA-N 1 2 383.517 3.737 50 0 GHAALO O=c1c([C@@H]2[NH2+]CCc3ccccc32)c(O)[nH]c(=S)n1CCC1=CCCCC1 ZINC000020149655 570244046 /nfs/dbraw/zinc/24/40/46/570244046.db2.gz LWDWSQAXOLKUTE-GOSISDBHSA-N 1 2 383.517 3.737 50 0 GHAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc(Br)o1 ZINC000048374988 570248854 /nfs/dbraw/zinc/24/88/54/570248854.db2.gz URAFZSLFKYCKNL-UHFFFAOYSA-N 1 2 378.270 3.748 50 0 GHAALO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)Nc1ccccc1-c1ccccc1 ZINC000043328952 570318355 /nfs/dbraw/zinc/31/83/55/570318355.db2.gz KXKZSTCHOPOMHC-UHFFFAOYSA-N 1 2 388.471 3.907 50 0 GHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@H+](C)Cc1ccc(Br)s1 ZINC000023732674 570330490 /nfs/dbraw/zinc/33/04/90/570330490.db2.gz MDELVVFZYMQYEZ-JTQLQIEISA-N 1 2 378.295 3.940 50 0 GHAALO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000023732674 570330491 /nfs/dbraw/zinc/33/04/91/570330491.db2.gz MDELVVFZYMQYEZ-JTQLQIEISA-N 1 2 378.295 3.940 50 0 GHAALO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000022914791 570334634 /nfs/dbraw/zinc/33/46/34/570334634.db2.gz JFJKFFTYISWVRN-ZDUSSCGKSA-N 1 2 382.291 3.731 50 0 GHAALO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000022934654 570338296 /nfs/dbraw/zinc/33/82/96/570338296.db2.gz QNTZVHNVFBDTBY-ZDUSSCGKSA-N 1 2 382.291 3.731 50 0 GHAALO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCc5ccccc54)CC3)cn2)cc1 ZINC000035403895 570351438 /nfs/dbraw/zinc/35/14/38/570351438.db2.gz YYHJGILOWULVHP-UHFFFAOYSA-N 1 2 398.510 3.859 50 0 GHAALO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCc5ccccc54)CC3)cn2)cc1 ZINC000035403895 570351439 /nfs/dbraw/zinc/35/14/39/570351439.db2.gz YYHJGILOWULVHP-UHFFFAOYSA-N 1 2 398.510 3.859 50 0 GHAALO O=C(CCC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc2c(c1)CCCC2 ZINC000023732300 570370456 /nfs/dbraw/zinc/37/04/56/570370456.db2.gz WZEQRAXIIGZBBW-UHFFFAOYSA-N 1 2 396.556 3.934 50 0 GHAALO O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023736311 570370882 /nfs/dbraw/zinc/37/08/82/570370882.db2.gz XWLMZHDNTILHAC-UHFFFAOYSA-N 1 2 392.528 3.769 50 0 GHAALO C[NH+](C)[C@H](C(=O)NCCCc1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1 ZINC000219987140 570379748 /nfs/dbraw/zinc/37/97/48/570379748.db2.gz PJGQFOSPVJFWDF-IBGZPJMESA-N 1 2 388.874 3.707 50 0 GHAALO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N1CCCCC1 ZINC000024809914 570394067 /nfs/dbraw/zinc/39/40/67/570394067.db2.gz DYPSSFWWYJYTOD-UHFFFAOYSA-N 1 2 386.323 3.656 50 0 GHAALO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N1CCCCC1 ZINC000024809914 570394069 /nfs/dbraw/zinc/39/40/69/570394069.db2.gz DYPSSFWWYJYTOD-UHFFFAOYSA-N 1 2 386.323 3.656 50 0 GHAALO Cc1ccc(-c2noc(C[NH+]3CCN(c4nc5ccccc5o4)CC3)n2)cc1 ZINC000025057343 570404734 /nfs/dbraw/zinc/40/47/34/570404734.db2.gz HRHHWIHZSARESO-UHFFFAOYSA-N 1 2 375.432 3.508 50 0 GHAALO O=C(c1nnsc1-c1ccccc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000072239951 570412824 /nfs/dbraw/zinc/41/28/24/570412824.db2.gz ADWTUBCGIKMWDV-UHFFFAOYSA-N 1 2 398.919 3.817 50 0 GHAALO O=C(CC12CC3CC(CC(C3)C1)C2)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000025463433 570414296 /nfs/dbraw/zinc/41/42/96/570414296.db2.gz MKPJYHAGNPHNIC-RQJZOYDLSA-N 1 2 388.577 3.844 50 0 GHAALO Cc1c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cnn1-c1ccccc1 ZINC000030000222 570483827 /nfs/dbraw/zinc/48/38/27/570483827.db2.gz QGLNTMRPQSBXRI-HXUWFJFHSA-N 1 2 389.434 3.573 50 0 GHAALO CCCc1nc(N2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)cc(C)[nH+]1 ZINC000426627806 570502447 /nfs/dbraw/zinc/50/24/47/570502447.db2.gz ONHKQKORDNDUPH-HSZRJFAPSA-N 1 2 396.510 3.896 50 0 GHAALO O=C(Nc1ccc(SC(F)F)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000043118945 570574310 /nfs/dbraw/zinc/57/43/10/570574310.db2.gz BYGIJGFMCUUUHT-UHFFFAOYSA-N 1 2 378.448 3.746 50 0 GHAALO Brc1cccc(-c2nn3c(C[NH+]4CCCCC4)nnc3s2)c1 ZINC000039389186 570590712 /nfs/dbraw/zinc/59/07/12/570590712.db2.gz SSEILHRTAKTYPL-UHFFFAOYSA-N 1 2 378.299 3.601 50 0 GHAALO C[C@H](C(=O)NCc1ccccc1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003326496 570603875 /nfs/dbraw/zinc/60/38/75/570603875.db2.gz FJVPAWYDLZDRSM-CYBMUJFWSA-N 1 2 394.302 3.569 50 0 GHAALO C[C@H](C(=O)NCc1ccccc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003326496 570603876 /nfs/dbraw/zinc/60/38/76/570603876.db2.gz FJVPAWYDLZDRSM-CYBMUJFWSA-N 1 2 394.302 3.569 50 0 GHAALO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2Cc2[nH]cc[nH+]2)cc1 ZINC000046072981 570650382 /nfs/dbraw/zinc/65/03/82/570650382.db2.gz IIHCKSIFIXGSNF-FQEVSTJZSA-N 1 2 376.460 3.688 50 0 GHAALO O=C(OCc1cccc(Br)c1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000051912696 570663923 /nfs/dbraw/zinc/66/39/23/570663923.db2.gz GXRLICJVKDOZST-OAHLLOKOSA-N 1 2 375.266 3.804 50 0 GHAALO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[NH+]1CCN(c2ccccn2)CC1 ZINC000006881834 570677342 /nfs/dbraw/zinc/67/73/42/570677342.db2.gz ZEQNORVIEKLXOV-CYBMUJFWSA-N 1 2 379.291 3.538 50 0 GHAALO CN(C)c1ccc(N[C@H]2CCCN(C(=O)c3cccc4ncccc43)CC2)c[nH+]1 ZINC000241124151 570685972 /nfs/dbraw/zinc/68/59/72/570685972.db2.gz JFZZCSMGQZEVTI-KRWDZBQOSA-N 1 2 389.503 3.803 50 0 GHAALO Cc1cc(C)n(CCCNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)n1 ZINC000241287061 570686554 /nfs/dbraw/zinc/68/65/54/570686554.db2.gz LJMWJHQHXVIMFT-UHFFFAOYSA-N 1 2 392.507 3.912 50 0 GHAALO C[C@@H]1CN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000004354707 570691473 /nfs/dbraw/zinc/69/14/73/570691473.db2.gz VJGBHENYXOXKNI-PHIMTYICSA-N 1 2 378.263 3.736 50 0 GHAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1ccc(F)cc1 ZINC000000882864 570703939 /nfs/dbraw/zinc/70/39/39/570703939.db2.gz NNXIPEQJLRHXQX-UHFFFAOYSA-N 1 2 379.420 3.685 50 0 GHAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)C1=Cc2cc(Cl)ccc2OC1 ZINC000025451346 570753090 /nfs/dbraw/zinc/75/30/90/570753090.db2.gz AFEVUJWNMIHEBN-UHFFFAOYSA-N 1 2 379.847 3.677 50 0 GHAALO O=C(Cc1ccccc1)N(CCC[NH+]1CCOCC1)c1nc2ccccc2s1 ZINC000022997277 570775731 /nfs/dbraw/zinc/77/57/31/570775731.db2.gz XPRLNAUAEGQDBX-UHFFFAOYSA-N 1 2 395.528 3.594 50 0 GHAALO Cc1cc(C)c(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c(C)c1 ZINC000012541434 570841961 /nfs/dbraw/zinc/84/19/61/570841961.db2.gz XZAKQOWBFIUYIR-SFHVURJKSA-N 1 2 387.480 3.552 50 0 GHAALO CC[C@@H]1CN(C(=O)c2oc3c(c2C)C(=O)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000170595259 570852599 /nfs/dbraw/zinc/85/25/99/570852599.db2.gz GLVUIXCMVNILSP-GOSISDBHSA-N 1 2 380.488 3.844 50 0 GHAALO CC[C@@H]1CN(C(=O)c2oc3c(c2C)C(=O)CCC3)CC[N@H+]1Cc1ccccc1 ZINC000170595259 570852601 /nfs/dbraw/zinc/85/26/01/570852601.db2.gz GLVUIXCMVNILSP-GOSISDBHSA-N 1 2 380.488 3.844 50 0 GHAALO O=S(=O)(CC[N@H+]1CC=C(c2ccc(O)cc2)CC1)c1ccc(Cl)cc1 ZINC000032851110 570854502 /nfs/dbraw/zinc/85/45/02/570854502.db2.gz WRSGHVFNRHNGTC-UHFFFAOYSA-N 1 2 377.893 3.609 50 0 GHAALO O=S(=O)(CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1)c1ccc(Cl)cc1 ZINC000032851110 570854505 /nfs/dbraw/zinc/85/45/05/570854505.db2.gz WRSGHVFNRHNGTC-UHFFFAOYSA-N 1 2 377.893 3.609 50 0 GHAALO COc1ccc(CNc2[nH]c3ccc(Br)cc3[nH+]2)c(OC)c1OC ZINC000170607133 570864282 /nfs/dbraw/zinc/86/42/82/570864282.db2.gz KKXHYCLLPRHTCD-UHFFFAOYSA-N 1 2 392.253 3.963 50 0 GHAALO COc1ccc(CNc2[nH]c3cc(Br)ccc3[nH+]2)c(OC)c1OC ZINC000170607133 570864283 /nfs/dbraw/zinc/86/42/83/570864283.db2.gz KKXHYCLLPRHTCD-UHFFFAOYSA-N 1 2 392.253 3.963 50 0 GHAALO CC(C)c1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)n(-c2ccccc2)n1 ZINC000170625254 570882125 /nfs/dbraw/zinc/88/21/25/570882125.db2.gz OEDQGKCHLVDWFG-UHFFFAOYSA-N 1 2 388.515 3.954 50 0 GHAALO CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000042685661 570892948 /nfs/dbraw/zinc/89/29/48/570892948.db2.gz FHWZXSNRPPZPAL-GFCCVEGCSA-N 1 2 386.323 3.559 50 0 GHAALO Cc1ccccc1NC(=S)N[C@@H](C)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023182178 570945271 /nfs/dbraw/zinc/94/52/71/570945271.db2.gz GAZVSJWYGOUUHF-YJBOKZPZSA-N 1 2 375.563 3.805 50 0 GHAALO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+](C)Cc2c(C)noc2C)cs1 ZINC000046407222 570998921 /nfs/dbraw/zinc/99/89/21/570998921.db2.gz OYLVKPSCZJIUEL-UHFFFAOYSA-N 1 2 396.516 3.744 50 0 GHAALO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+](C)Cc2c(C)noc2C)cs1 ZINC000046407222 570998923 /nfs/dbraw/zinc/99/89/23/570998923.db2.gz OYLVKPSCZJIUEL-UHFFFAOYSA-N 1 2 396.516 3.744 50 0 GHAALO CCCCn1ccnc1C1CCN(C(=O)Cc2c[nH+]c3c(C)cccn23)CC1 ZINC000095516328 571084047 /nfs/dbraw/zinc/08/40/47/571084047.db2.gz JRZCYVNNCOBNSR-UHFFFAOYSA-N 1 2 379.508 3.588 50 0 GHAALO