smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1Nc2ccc(Br)cc2[C@@H](c2ccccc2)[C@@H]1[NH+]1CCCCC1 ZINC000002333264 817384868 /nfs/dbraw/zinc/38/48/68/817384868.db2.gz OFTBNUXVIVMQLV-MOPGFXCFSA-N 1 2 385.305 4.388 50 0 GIAALO Cc1oc(-c2cccc(F)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)c2cccnc2)C1 ZINC000015062483 818286752 /nfs/dbraw/zinc/28/67/52/818286752.db2.gz YEGXDMVKTUZQFZ-GOSISDBHSA-N 1 2 379.435 4.279 50 0 GIAALO Cc1oc(-c2cccc(F)c2)nc1C[N@H+]1CCC[C@@H](C(=O)c2cccnc2)C1 ZINC000015062483 818286760 /nfs/dbraw/zinc/28/67/60/818286760.db2.gz YEGXDMVKTUZQFZ-GOSISDBHSA-N 1 2 379.435 4.279 50 0 GIAALO O=C(Nc1ccccc1N1CCCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000057863597 823343042 /nfs/dbraw/zinc/34/30/42/823343042.db2.gz AMWCTGFKHLHNGF-UHFFFAOYSA-N 1 2 384.549 4.088 50 0 GIAALO CC(C)CCOc1ccc(C(=O)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000019313980 818590847 /nfs/dbraw/zinc/59/08/47/818590847.db2.gz SLDVDKBZIFTYBO-QHCPKHFHSA-N 1 2 381.516 4.410 50 0 GIAALO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC000020784806 818631527 /nfs/dbraw/zinc/63/15/27/818631527.db2.gz OKSJDAZFCCKCTA-MRXNPFEDSA-N 1 2 379.529 4.390 50 0 GIAALO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C)C1 ZINC000020784806 818631529 /nfs/dbraw/zinc/63/15/29/818631529.db2.gz OKSJDAZFCCKCTA-MRXNPFEDSA-N 1 2 379.529 4.390 50 0 GIAALO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3noc(-c4ccc(C)cc4)n3)C2)cc1 ZINC000021724575 818730536 /nfs/dbraw/zinc/73/05/36/818730536.db2.gz JELGSAXLZIQDHW-IBGZPJMESA-N 1 2 390.487 4.204 50 0 GIAALO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3noc(-c4ccc(C)cc4)n3)C2)cc1 ZINC000021724575 818730540 /nfs/dbraw/zinc/73/05/40/818730540.db2.gz JELGSAXLZIQDHW-IBGZPJMESA-N 1 2 390.487 4.204 50 0 GIAALO Cc1ccc2c(C[NH+]3CCN(C/C=C\c4ccccc4)CC3)cc(=O)oc2c1C ZINC000022865381 818867826 /nfs/dbraw/zinc/86/78/26/818867826.db2.gz IKTNUUFNNFYTJG-TWGQIWQCSA-N 1 2 388.511 4.241 50 0 GIAALO CCc1ccc2c(C[NH+]3CCN(C/C=C\c4ccccc4)CC3)cc(=O)oc2c1 ZINC000022874254 818869090 /nfs/dbraw/zinc/86/90/90/818869090.db2.gz RMUXBSOWRVCUDU-TWGQIWQCSA-N 1 2 388.511 4.186 50 0 GIAALO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1coc(-c2ccccc2)n1 ZINC000174915625 822855523 /nfs/dbraw/zinc/85/55/23/822855523.db2.gz UVYYDBBALWUPCN-UHFFFAOYSA-N 1 2 390.487 4.115 50 0 GIAALO CCOc1ccccc1NC(=O)N1CC(n2c(C)c[nH+]c2-c2ccccc2)C1 ZINC000575550979 823976236 /nfs/dbraw/zinc/97/62/36/823976236.db2.gz LBEYIIKQTCILDT-UHFFFAOYSA-N 1 2 376.460 4.346 50 0 GIAALO Cc1c[nH+]c(-c2cccnc2)n1CC1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000575548913 823976372 /nfs/dbraw/zinc/97/63/72/823976372.db2.gz FMTUKAKGDRUENQ-UHFFFAOYSA-N 1 2 393.466 4.337 50 0 GIAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4[C@H](C)CC[C@@H]4C)csc3C2)nc1 ZINC000426435289 529643296 /nfs/dbraw/zinc/64/32/96/529643296.db2.gz FEHZVFBDTXGKIB-IYBDPMFKSA-N 1 2 383.561 4.277 50 0 GIAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4[C@H](C)CC[C@@H]4C)csc3C2)nc1 ZINC000426435289 529643298 /nfs/dbraw/zinc/64/32/98/529643298.db2.gz FEHZVFBDTXGKIB-IYBDPMFKSA-N 1 2 383.561 4.277 50 0 GIAALO Fc1ccc(-n2ncc3c2nc[nH+]c3N2CCC(Cc3ccccc3)CC2)cc1 ZINC000004354620 204040693 /nfs/dbraw/zinc/04/06/93/204040693.db2.gz ZVKOZTHOQRVMRJ-UHFFFAOYSA-N 1 2 387.462 4.414 50 0 GIAALO O=C(NC1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1c(F)cccc1F ZINC000004395052 204043249 /nfs/dbraw/zinc/04/32/49/204043249.db2.gz SMZXMBZJDIJQIW-UHFFFAOYSA-N 1 2 382.813 4.152 50 0 GIAALO Cc1cc(C)cc(NC(=O)C[N@@H+]2CCc3cc4c(cc3[C@H]2C)OCCCO4)c1 ZINC000005352502 204128306 /nfs/dbraw/zinc/12/83/06/204128306.db2.gz DHKWCTUHPRXWKA-QGZVFWFLSA-N 1 2 380.488 4.023 50 0 GIAALO Cc1cc(C)cc(NC(=O)C[N@H+]2CCc3cc4c(cc3[C@H]2C)OCCCO4)c1 ZINC000005352502 204128310 /nfs/dbraw/zinc/12/83/10/204128310.db2.gz DHKWCTUHPRXWKA-QGZVFWFLSA-N 1 2 380.488 4.023 50 0 GIAALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Sc2ccccc2)C1 ZINC000006052489 204162994 /nfs/dbraw/zinc/16/29/94/204162994.db2.gz OZDFPZZRSBQNOY-QGZVFWFLSA-N 1 2 398.528 4.051 50 0 GIAALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Sc2ccccc2)C1 ZINC000006052489 204162997 /nfs/dbraw/zinc/16/29/97/204162997.db2.gz OZDFPZZRSBQNOY-QGZVFWFLSA-N 1 2 398.528 4.051 50 0 GIAALO COc1ccc(Nc2cc(N3CCN(c4cc(C)ccc4C)CC3)nc[nH+]2)cc1 ZINC000006793451 204207490 /nfs/dbraw/zinc/20/74/90/204207490.db2.gz MMKQIUMISQDTGL-UHFFFAOYSA-N 1 2 389.503 4.172 50 0 GIAALO CCCN(C)c1cc(CC)[nH+]c(SCc2ccc(C(=O)NC3CC3)cc2)n1 ZINC000006868741 204217635 /nfs/dbraw/zinc/21/76/35/204217635.db2.gz WRFIXQLMODMQKK-UHFFFAOYSA-N 1 2 384.549 4.070 50 0 GIAALO O=C(Cn1c2ccccc2[nH+]c1NCCO)c1ccc(C2CCCCC2)cc1 ZINC000006657511 204188751 /nfs/dbraw/zinc/18/87/51/204188751.db2.gz QUZXUGMEPJMAMR-UHFFFAOYSA-N 1 2 377.488 4.371 50 0 GIAALO COc1ccc(C[NH+]2CCN(c3ccc(C)cc3)CC2)cc1Br ZINC000006667480 204190074 /nfs/dbraw/zinc/19/00/74/204190074.db2.gz UNFUVCBOIYETMV-UHFFFAOYSA-N 1 2 375.310 4.088 50 0 GIAALO CC(C)(C)NC(=O)N(Cc1[nH+]ccn1Cc1c(F)cccc1Cl)C1CC1 ZINC000006690050 204191532 /nfs/dbraw/zinc/19/15/32/204191532.db2.gz HVJHQHKARMWNDL-UHFFFAOYSA-N 1 2 378.879 4.196 50 0 GIAALO Cc1cccn2cc(-c3ccc(C)c(NS(=O)(=O)c4ccccc4)c3)[nH+]c12 ZINC000006748124 204198010 /nfs/dbraw/zinc/19/80/10/204198010.db2.gz DXLYWQZXZFOMRR-UHFFFAOYSA-N 1 2 377.469 4.419 50 0 GIAALO COc1ccccc1C[NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000007004687 204229664 /nfs/dbraw/zinc/22/96/64/204229664.db2.gz RNKRXDIAEGSYBF-QHCPKHFHSA-N 1 2 390.483 4.482 50 0 GIAALO C[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000007640411 204245155 /nfs/dbraw/zinc/24/51/55/204245155.db2.gz URCZWKDBOCGCMU-UHFFFAOYSA-N 1 2 388.467 4.077 50 0 GIAALO C[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000007640411 204245161 /nfs/dbraw/zinc/24/51/61/204245161.db2.gz URCZWKDBOCGCMU-UHFFFAOYSA-N 1 2 388.467 4.077 50 0 GIAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(C(F)(F)F)cc1 ZINC000007927259 204255119 /nfs/dbraw/zinc/25/51/19/204255119.db2.gz JEVLVFFJWAUZNL-INIZCTEOSA-N 1 2 398.450 4.387 50 0 GIAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(C(F)(F)F)cc1 ZINC000007927259 204255123 /nfs/dbraw/zinc/25/51/23/204255123.db2.gz JEVLVFFJWAUZNL-INIZCTEOSA-N 1 2 398.450 4.387 50 0 GIAALO O=C(C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)NCc1ccccc1Cl ZINC000008515523 204278308 /nfs/dbraw/zinc/27/83/08/204278308.db2.gz MPXGSFQFDQABSN-KRWDZBQOSA-N 1 2 385.920 4.403 50 0 GIAALO O=C(C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)NCc1ccccc1Cl ZINC000008515523 204278312 /nfs/dbraw/zinc/27/83/12/204278312.db2.gz MPXGSFQFDQABSN-KRWDZBQOSA-N 1 2 385.920 4.403 50 0 GIAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1cn3ccccc3n1)CC2 ZINC000009337939 204307893 /nfs/dbraw/zinc/30/78/93/204307893.db2.gz INKMASMUKXARRK-VWLOTQADSA-N 1 2 399.494 4.499 50 0 GIAALO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1cn3ccccc3n1)CC2 ZINC000009337939 204307896 /nfs/dbraw/zinc/30/78/96/204307896.db2.gz INKMASMUKXARRK-VWLOTQADSA-N 1 2 399.494 4.499 50 0 GIAALO Cc1nn(C)c(C)c1C[N@H+](Cc1nc(-c2cc(F)cc(F)c2)oc1C)C1CC1 ZINC000011704127 204350714 /nfs/dbraw/zinc/35/07/14/204350714.db2.gz MJZMEBHFHFJCJL-UHFFFAOYSA-N 1 2 386.446 4.443 50 0 GIAALO Cc1nn(C)c(C)c1C[N@@H+](Cc1nc(-c2cc(F)cc(F)c2)oc1C)C1CC1 ZINC000011704127 204350719 /nfs/dbraw/zinc/35/07/19/204350719.db2.gz MJZMEBHFHFJCJL-UHFFFAOYSA-N 1 2 386.446 4.443 50 0 GIAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000011821653 204356106 /nfs/dbraw/zinc/35/61/06/204356106.db2.gz KFKDYXPRTGSSPQ-JOCHJYFZSA-N 1 2 388.471 4.262 50 0 GIAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000011821653 204356108 /nfs/dbraw/zinc/35/61/08/204356108.db2.gz KFKDYXPRTGSSPQ-JOCHJYFZSA-N 1 2 388.471 4.262 50 0 GIAALO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000011820510 204356371 /nfs/dbraw/zinc/35/63/71/204356371.db2.gz SHMXPZITEBPFJW-OAQYLSRUSA-N 1 2 398.466 4.493 50 0 GIAALO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC000011820510 204356376 /nfs/dbraw/zinc/35/63/76/204356376.db2.gz SHMXPZITEBPFJW-OAQYLSRUSA-N 1 2 398.466 4.493 50 0 GIAALO COc1cccc(-c2nc(C[N@@H+]3CCC[C@H]3c3nccs3)c(C)o2)c1OC ZINC000011933293 204361642 /nfs/dbraw/zinc/36/16/42/204361642.db2.gz AIFXBYOVHUDIPC-INIZCTEOSA-N 1 2 385.489 4.461 50 0 GIAALO COc1cccc(-c2nc(C[N@H+]3CCC[C@H]3c3nccs3)c(C)o2)c1OC ZINC000011933293 204361645 /nfs/dbraw/zinc/36/16/45/204361645.db2.gz AIFXBYOVHUDIPC-INIZCTEOSA-N 1 2 385.489 4.461 50 0 GIAALO COc1ccc(OC)c(C[N@@H+]2CCOc3ccc([C@@H](O)CC(C)C)cc3C2)c1 ZINC000012156613 204376284 /nfs/dbraw/zinc/37/62/84/204376284.db2.gz JJHYQFUEZZANAU-NRFANRHFSA-N 1 2 385.504 4.178 50 0 GIAALO COc1ccc(OC)c(C[N@H+]2CCOc3ccc([C@@H](O)CC(C)C)cc3C2)c1 ZINC000012156613 204376289 /nfs/dbraw/zinc/37/62/89/204376289.db2.gz JJHYQFUEZZANAU-NRFANRHFSA-N 1 2 385.504 4.178 50 0 GIAALO Cc1ccccc1OC[C@@H]1CCC[N@H+](Cc2nc(Cc3ccccc3F)no2)C1 ZINC000012315634 204396151 /nfs/dbraw/zinc/39/61/51/204396151.db2.gz PWZVJNHUOVJSBS-GOSISDBHSA-N 1 2 395.478 4.399 50 0 GIAALO Cc1ccccc1OC[C@@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3F)no2)C1 ZINC000012315634 204396156 /nfs/dbraw/zinc/39/61/56/204396156.db2.gz PWZVJNHUOVJSBS-GOSISDBHSA-N 1 2 395.478 4.399 50 0 GIAALO Cc1ccc(N2CC[NH+](Cc3nnc(-c4cccc(Cl)c4)o3)CC2)c(C)c1 ZINC000021776960 204763541 /nfs/dbraw/zinc/76/35/41/204763541.db2.gz FNRQVCCCJDCEGG-UHFFFAOYSA-N 1 2 382.895 4.329 50 0 GIAALO O=c1[nH]c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2ccc(Cl)cc12 ZINC000037178545 205024701 /nfs/dbraw/zinc/02/47/01/205024701.db2.gz MWOKRGPTVKBZNH-QGZVFWFLSA-N 1 2 397.862 4.097 50 0 GIAALO O=c1[nH]c(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2ccc(Cl)cc12 ZINC000037178545 205024703 /nfs/dbraw/zinc/02/47/03/205024703.db2.gz MWOKRGPTVKBZNH-QGZVFWFLSA-N 1 2 397.862 4.097 50 0 GIAALO COc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000037208889 205025152 /nfs/dbraw/zinc/02/51/52/205025152.db2.gz IYUPDOIWVRIICO-HXUWFJFHSA-N 1 2 384.526 4.404 50 0 GIAALO COc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000037208889 205025155 /nfs/dbraw/zinc/02/51/55/205025155.db2.gz IYUPDOIWVRIICO-HXUWFJFHSA-N 1 2 384.526 4.404 50 0 GIAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(Cc3ccccc3)no2)c1 ZINC000040118760 205054361 /nfs/dbraw/zinc/05/43/61/205054361.db2.gz NCHJMXSJHLEAFA-IBGZPJMESA-N 1 2 379.460 4.015 50 0 GIAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(Cc3ccccc3)no2)c1 ZINC000040118760 205054366 /nfs/dbraw/zinc/05/43/66/205054366.db2.gz NCHJMXSJHLEAFA-IBGZPJMESA-N 1 2 379.460 4.015 50 0 GIAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000057985805 205160440 /nfs/dbraw/zinc/16/04/40/205160440.db2.gz WLGOPYLLKOWKHQ-INIZCTEOSA-N 1 2 385.817 4.401 50 0 GIAALO O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000057985805 205160445 /nfs/dbraw/zinc/16/04/45/205160445.db2.gz WLGOPYLLKOWKHQ-INIZCTEOSA-N 1 2 385.817 4.401 50 0 GIAALO COc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)c(C)c1 ZINC000058169359 205166314 /nfs/dbraw/zinc/16/63/14/205166314.db2.gz UVUNGJVJRGZJKB-UHFFFAOYSA-N 1 2 384.457 4.300 50 0 GIAALO CC(C)C(=O)Nc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2C2CC2)cc1 ZINC000058222940 205170792 /nfs/dbraw/zinc/17/07/92/205170792.db2.gz BSTQMYFUQYTEQG-UHFFFAOYSA-N 1 2 376.460 4.147 50 0 GIAALO O=C(NCC(F)(F)F)[C@H]1CCC[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000058356034 205173897 /nfs/dbraw/zinc/17/38/97/205173897.db2.gz UVEUGXGZXABHRL-LLVKDONJSA-N 1 2 376.831 4.198 50 0 GIAALO O=C(NCC(F)(F)F)[C@H]1CCC[N@H+]1Cc1sc2ccccc2c1Cl ZINC000058356034 205173899 /nfs/dbraw/zinc/17/38/99/205173899.db2.gz UVEUGXGZXABHRL-LLVKDONJSA-N 1 2 376.831 4.198 50 0 GIAALO C[NH+](C)c1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)cc1 ZINC000064471781 205190366 /nfs/dbraw/zinc/19/03/66/205190366.db2.gz GJNMGTUDZQAGDE-UHFFFAOYSA-N 1 2 392.528 4.233 50 0 GIAALO CCc1ccccc1NC(=O)CCC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000065274141 205225827 /nfs/dbraw/zinc/22/58/27/205225827.db2.gz WTLHRIVGFAJBCR-UHFFFAOYSA-N 1 2 393.535 4.249 50 0 GIAALO CCc1ccccc1NC(=O)CCC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000065274141 205225828 /nfs/dbraw/zinc/22/58/28/205225828.db2.gz WTLHRIVGFAJBCR-UHFFFAOYSA-N 1 2 393.535 4.249 50 0 GIAALO COCCc1nc(Cn2c[nH+]c(-c3ccccc3)c2[C@@H](C)c2ccccc2)no1 ZINC000065372148 205232958 /nfs/dbraw/zinc/23/29/58/205232958.db2.gz SXZSAIJJWJIAIE-KRWDZBQOSA-N 1 2 388.471 4.322 50 0 GIAALO C[N@H+](Cc1nc(-c2ccc(N3CCCCCC3)nc2)no1)Cc1ccccc1 ZINC000065216205 205219649 /nfs/dbraw/zinc/21/96/49/205219649.db2.gz MEEHWORJRRKXBE-UHFFFAOYSA-N 1 2 377.492 4.144 50 0 GIAALO C[N@@H+](Cc1nc(-c2ccc(N3CCCCCC3)nc2)no1)Cc1ccccc1 ZINC000065216205 205219654 /nfs/dbraw/zinc/21/96/54/205219654.db2.gz MEEHWORJRRKXBE-UHFFFAOYSA-N 1 2 377.492 4.144 50 0 GIAALO CC[C@@H](NC(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)n[nH]1)c1cccs1 ZINC000067879602 205266458 /nfs/dbraw/zinc/26/64/58/205266458.db2.gz JOAGMDXORJPEJW-OAHLLOKOSA-N 1 2 379.489 4.059 50 0 GIAALO Fc1ccc([C@@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)CCO2)cc1 ZINC000071662480 205286094 /nfs/dbraw/zinc/28/60/94/205286094.db2.gz ZHQTXYBZBKXNLA-QHCPKHFHSA-N 1 2 378.447 4.373 50 0 GIAALO Fc1ccc([C@@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)CCO2)cc1 ZINC000071662480 205286098 /nfs/dbraw/zinc/28/60/98/205286098.db2.gz ZHQTXYBZBKXNLA-QHCPKHFHSA-N 1 2 378.447 4.373 50 0 GIAALO Fc1ccc([C@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)CCO2)cc1 ZINC000071662485 205286237 /nfs/dbraw/zinc/28/62/37/205286237.db2.gz ZHQTXYBZBKXNLA-HSZRJFAPSA-N 1 2 378.447 4.373 50 0 GIAALO Fc1ccc([C@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)CCO2)cc1 ZINC000071662485 205286243 /nfs/dbraw/zinc/28/62/43/205286243.db2.gz ZHQTXYBZBKXNLA-HSZRJFAPSA-N 1 2 378.447 4.373 50 0 GIAALO c1ccc2c(c1)cccc2Cc1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000071260601 205277968 /nfs/dbraw/zinc/27/79/68/205277968.db2.gz RELARWMQMLXPDI-UHFFFAOYSA-N 1 2 377.517 4.306 50 0 GIAALO CC[N@H+](Cc1csc(CNC(=O)c2ccccc2)n1)Cc1ccccc1C ZINC000072309105 205322678 /nfs/dbraw/zinc/32/26/78/205322678.db2.gz PQSCBDVYBXPLHY-UHFFFAOYSA-N 1 2 379.529 4.404 50 0 GIAALO CC[N@@H+](Cc1csc(CNC(=O)c2ccccc2)n1)Cc1ccccc1C ZINC000072309105 205322682 /nfs/dbraw/zinc/32/26/82/205322682.db2.gz PQSCBDVYBXPLHY-UHFFFAOYSA-N 1 2 379.529 4.404 50 0 GIAALO CC(C)(C)C(=O)NCCCC(=O)Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1 ZINC000072310010 205322750 /nfs/dbraw/zinc/32/27/50/205322750.db2.gz WESYUALZUGEWFU-UHFFFAOYSA-N 1 2 384.524 4.492 50 0 GIAALO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000072129032 205307519 /nfs/dbraw/zinc/30/75/19/205307519.db2.gz IZZITSLONSYJEV-UHFFFAOYSA-N 1 2 375.394 4.065 50 0 GIAALO Clc1ccc(C[NH+]2CCN(c3ncnc4c5ccccc5oc43)CC2)s1 ZINC000032509635 206090123 /nfs/dbraw/zinc/09/01/23/206090123.db2.gz IMICRUVKEVSORY-UHFFFAOYSA-N 1 2 384.892 4.413 50 0 GIAALO CCOc1cc(C[NH2+][C@H](c2nccn2C)c2ccccc2)cc(Cl)c1OC ZINC000030643256 206075469 /nfs/dbraw/zinc/07/54/69/206075469.db2.gz OPOIVZYEZLSKPT-IBGZPJMESA-N 1 2 385.895 4.360 50 0 GIAALO CCOc1cc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)cc(Cl)c1OC ZINC000030643259 206075600 /nfs/dbraw/zinc/07/56/00/206075600.db2.gz OPOIVZYEZLSKPT-LJQANCHMSA-N 1 2 385.895 4.360 50 0 GIAALO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)CCCC2 ZINC000252536634 206144367 /nfs/dbraw/zinc/14/43/67/206144367.db2.gz JAKUBNJFPDQBMY-UVFQYZLESA-N 1 2 385.458 4.044 50 0 GIAALO CC(C)n1cc[nH+]c1-c1cccc(C(=O)N(C)CC[C@@H](O)c2ccccc2)c1 ZINC000299796962 206191226 /nfs/dbraw/zinc/19/12/26/206191226.db2.gz ODCJWOHMEUAHEM-OAQYLSRUSA-N 1 2 377.488 4.327 50 0 GIAALO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000058159054 136154530 /nfs/dbraw/zinc/15/45/30/136154530.db2.gz HHYSLLXWZXQARI-HSZRJFAPSA-N 1 2 389.474 4.328 50 0 GIAALO Cc1ccc(NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)c(C)c1 ZINC000065245188 136161513 /nfs/dbraw/zinc/16/15/13/136161513.db2.gz HRAKCXHNRQQLJL-SFHVURJKSA-N 1 2 393.535 4.303 50 0 GIAALO Cc1ccc(NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)c(C)c1 ZINC000065245188 136161514 /nfs/dbraw/zinc/16/15/14/136161514.db2.gz HRAKCXHNRQQLJL-SFHVURJKSA-N 1 2 393.535 4.303 50 0 GIAALO Clc1ccc([C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CCO2)cc1Cl ZINC000072424253 136169949 /nfs/dbraw/zinc/16/99/49/136169949.db2.gz UZNQJXUVUABQAM-QGZVFWFLSA-N 1 2 393.318 4.352 50 0 GIAALO Clc1ccc([C@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)CCO2)cc1Cl ZINC000072424253 136169950 /nfs/dbraw/zinc/16/99/50/136169950.db2.gz UZNQJXUVUABQAM-QGZVFWFLSA-N 1 2 393.318 4.352 50 0 GIAALO CN1CC2(CCN(c3[nH+]ccc4ccccc43)CC2)C[C@H](c2ccccc2)C1=O ZINC000091663854 136176906 /nfs/dbraw/zinc/17/69/06/136176906.db2.gz CJVQLUUZMIDJQH-JOCHJYFZSA-N 1 2 385.511 4.467 50 0 GIAALO Cc1ccc(-c2cc(CNc3ccc([NH+]4CCCCC4)cc3C(N)=O)on2)cc1 ZINC000170642358 136199273 /nfs/dbraw/zinc/19/92/73/136199273.db2.gz MIFWZSGHODBGTB-UHFFFAOYSA-N 1 2 390.487 4.351 50 0 GIAALO O=C(Cc1csc(Cc2ccccc2)n1)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025180694 527337182 /nfs/dbraw/zinc/33/71/82/527337182.db2.gz RAMUVTMKUCBSKZ-UHFFFAOYSA-N 1 2 388.496 4.160 50 0 GIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccccc3CC)C2)nc[nH+]1 ZINC000065242464 535192845 /nfs/dbraw/zinc/19/28/45/535192845.db2.gz OWXFVHUMABBUGN-GOSISDBHSA-N 1 2 395.551 4.496 50 0 GIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccccc3CC)C2)[nH+]cn1 ZINC000065242464 535192849 /nfs/dbraw/zinc/19/28/49/535192849.db2.gz OWXFVHUMABBUGN-GOSISDBHSA-N 1 2 395.551 4.496 50 0 GIAALO COc1ccccc1N1CC[NH+]([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000058018542 537070604 /nfs/dbraw/zinc/07/06/04/537070604.db2.gz BDYRCKMYKSDZAP-OAHLLOKOSA-N 1 2 398.894 4.282 50 0 GIAALO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019787543 570218685 /nfs/dbraw/zinc/21/86/85/570218685.db2.gz ROCSQNCAJXSRKE-UHFFFAOYSA-N 1 2 388.486 4.302 50 0 GIAALO CC(C)[N@@H+]1CCc2nc3sc(C(=O)Nc4ccc(F)cc4)c(N)c3cc2C1 ZINC000019932680 570231336 /nfs/dbraw/zinc/23/13/36/570231336.db2.gz KAIHRPSVNDCAHV-UHFFFAOYSA-N 1 2 384.480 4.036 50 0 GIAALO CC(C)[N@H+]1CCc2nc3sc(C(=O)Nc4ccc(F)cc4)c(N)c3cc2C1 ZINC000019932680 570231340 /nfs/dbraw/zinc/23/13/40/570231340.db2.gz KAIHRPSVNDCAHV-UHFFFAOYSA-N 1 2 384.480 4.036 50 0 GIAALO CCCCCCn1c2ccccc2n(C[C@@H](O)COc2ccccc2C)c1=[NH2+] ZINC000020059811 570237991 /nfs/dbraw/zinc/23/79/91/570237991.db2.gz XLQFVCZPNMDCBX-LJQANCHMSA-N 1 2 381.520 4.251 50 0 GIAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4ccc(Cl)cc4)CC3)c2c1 ZINC000020213237 570248650 /nfs/dbraw/zinc/24/86/50/570248650.db2.gz KJDVAGYCFPFLNY-UHFFFAOYSA-N 1 2 396.918 4.327 50 0 GIAALO CCc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccc(Cl)cc4)CC3)c2c1 ZINC000020213237 570248651 /nfs/dbraw/zinc/24/86/51/570248651.db2.gz KJDVAGYCFPFLNY-UHFFFAOYSA-N 1 2 396.918 4.327 50 0 GIAALO O=C(Nc1ccc(Cl)cc1F)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020437217 570256087 /nfs/dbraw/zinc/25/60/87/570256087.db2.gz IMOWZFXIMINXPS-UHFFFAOYSA-N 1 2 382.266 4.482 50 0 GIAALO CC(C)c1noc(C[NH+]2CCC3(C[C@@H]3c3nnc(-c4cccc(F)c4)o3)CC2)n1 ZINC000071890574 570275395 /nfs/dbraw/zinc/27/53/95/570275395.db2.gz CDYFNTGZVOXLAP-MRXNPFEDSA-N 1 2 397.454 4.152 50 0 GIAALO C[C@@H](NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1)c1ccc(F)cc1F ZINC000021582047 570292680 /nfs/dbraw/zinc/29/26/80/570292680.db2.gz JAUGLNYVCQGFLG-MRXNPFEDSA-N 1 2 384.426 4.437 50 0 GIAALO C[C@@H](NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1)c1ccc(F)cc1F ZINC000021582047 570292682 /nfs/dbraw/zinc/29/26/82/570292682.db2.gz JAUGLNYVCQGFLG-MRXNPFEDSA-N 1 2 384.426 4.437 50 0 GIAALO C[C@H](NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1)c1ccc(F)cc1F ZINC000021582051 570292750 /nfs/dbraw/zinc/29/27/50/570292750.db2.gz JAUGLNYVCQGFLG-INIZCTEOSA-N 1 2 384.426 4.437 50 0 GIAALO C[C@H](NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1)c1ccc(F)cc1F ZINC000021582051 570292753 /nfs/dbraw/zinc/29/27/53/570292753.db2.gz JAUGLNYVCQGFLG-INIZCTEOSA-N 1 2 384.426 4.437 50 0 GIAALO c1cc([C@@H]2CCCCO2)sc1C[N@@H+]1CCc2nc(-c3cccnc3)[nH]c2C1 ZINC000215901864 570293286 /nfs/dbraw/zinc/29/32/86/570293286.db2.gz OVGVJMVSJLAGHC-IBGZPJMESA-N 1 2 380.517 4.333 50 0 GIAALO c1cc([C@@H]2CCCCO2)sc1C[N@H+]1CCc2nc(-c3cccnc3)[nH]c2C1 ZINC000215901864 570293287 /nfs/dbraw/zinc/29/32/87/570293287.db2.gz OVGVJMVSJLAGHC-IBGZPJMESA-N 1 2 380.517 4.333 50 0 GIAALO Cc1cc(C)c(NC(=O)NC(=O)c2cccc(OC(F)(F)C(F)F)c2)c(C)[nH+]1 ZINC000000717948 570303474 /nfs/dbraw/zinc/30/34/74/570303474.db2.gz GZEISESMHNKPKU-UHFFFAOYSA-N 1 2 399.344 4.205 50 0 GIAALO CC(=O)N(c1nc(CSc2nc(N)cc(C)[nH+]2)cs1)c1cccc(C)c1C ZINC000022090437 570305763 /nfs/dbraw/zinc/30/57/63/570305763.db2.gz RYVKYFPOFHSUGE-UHFFFAOYSA-N 1 2 399.545 4.417 50 0 GIAALO COc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc(Cl)c1OC ZINC000022238256 570309861 /nfs/dbraw/zinc/30/98/61/570309861.db2.gz REWNDBPXRBCBLB-UHFFFAOYSA-N 1 2 395.912 4.052 50 0 GIAALO COc1ccc(C[N@H+](C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012946300 570316832 /nfs/dbraw/zinc/31/68/32/570316832.db2.gz UUDFVAATMRGEIR-CYBMUJFWSA-N 1 2 395.484 4.446 50 0 GIAALO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+](Cc4ccccc4F)CC3)o2)cc1 ZINC000022773752 570327087 /nfs/dbraw/zinc/32/70/87/570327087.db2.gz LNVWAUQTCBRPRY-KRWDZBQOSA-N 1 2 380.467 4.063 50 0 GIAALO COc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1Br ZINC000055544086 570351677 /nfs/dbraw/zinc/35/16/77/570351677.db2.gz LVBIFEDGIVYHNQ-UHFFFAOYSA-N 1 2 395.728 4.433 50 0 GIAALO Cc1ccc2[nH+]c(Cn3ccc(-c4cccc(-c5nccnc5C)c4)n3)cn2c1 ZINC000023338478 570355405 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COc1cc2c(cc1OC)C[N@H+]([C@H](C)c1nnc(-c3ccc(F)cc3)o1)CC2 ZINC000023873120 570374587 /nfs/dbraw/zinc/37/45/87/570374587.db2.gz BBDOQVFRCMJKKP-CYBMUJFWSA-N 1 2 383.423 4.012 50 0 GIAALO CC(=O)Nc1nc(C[N@@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)cs1 ZINC000089265676 570379896 /nfs/dbraw/zinc/37/98/96/570379896.db2.gz HQCKQIFVDVSOQO-NRFANRHFSA-N 1 2 377.513 4.444 50 0 GIAALO CC(=O)Nc1nc(C[N@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)cs1 ZINC000089265676 570379897 /nfs/dbraw/zinc/37/98/97/570379897.db2.gz HQCKQIFVDVSOQO-NRFANRHFSA-N 1 2 377.513 4.444 50 0 GIAALO COc1cc(/C=C/C(=O)OCc2cn3cc(C)ccc3[nH+]2)ccc1OC(F)F ZINC000008459425 570380270 /nfs/dbraw/zinc/38/02/70/570380270.db2.gz ZQULKSJHUSDFLH-VMPITWQZSA-N 1 2 388.370 4.009 50 0 GIAALO Cc1nc2scc(-c3cccs3)c2c(SCC[NH+]2CCOCC2)n1 ZINC000024334318 570382228 /nfs/dbraw/zinc/38/22/28/570382228.db2.gz BKMTUSNIOPHPIY-UHFFFAOYSA-N 1 2 377.560 4.153 50 0 GIAALO S=c1n2ccccc2nn1C[N@@H+](Cc1ccc(Br)cc1)C1CC1 ZINC000025478563 570414536 /nfs/dbraw/zinc/41/45/36/570414536.db2.gz 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4.064 50 0 GIAALO CCNc1cc(N2CCC(CCC(=O)Nc3cccc(C)c3C)CC2)nc[nH+]1 ZINC000065274035 205226592 /nfs/dbraw/zinc/22/65/92/205226592.db2.gz CNPVATKVHNDFRK-UHFFFAOYSA-N 1 2 381.524 4.161 50 0 GIAALO CCNc1cc(N2CCC(CCC(=O)Nc3cccc(C)c3C)CC2)[nH+]cn1 ZINC000065274035 205226597 /nfs/dbraw/zinc/22/65/97/205226597.db2.gz CNPVATKVHNDFRK-UHFFFAOYSA-N 1 2 381.524 4.161 50 0 GIAALO CCn1cc[nH+]c1Cn1cnc(-c2ccccc2)c1-c1c(OC)cccc1OC ZINC000065370737 205232748 /nfs/dbraw/zinc/23/27/48/205232748.db2.gz KHSRKTHDJXZCNT-UHFFFAOYSA-N 1 2 388.471 4.499 50 0 GIAALO Cc1ccccc1-c1ncc(C[NH2+][C@H](C)c2nc(-c3ccncc3)no2)s1 ZINC000065404100 205233655 /nfs/dbraw/zinc/23/36/55/205233655.db2.gz CJIGAXNTYAGFAL-CQSZACIVSA-N 1 2 377.473 4.414 50 0 GIAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC000065859677 205239864 /nfs/dbraw/zinc/23/98/64/205239864.db2.gz HMJXNEZSDIEFQD-UHFFFAOYSA-N 1 2 382.370 4.133 50 0 GIAALO c1ccc(-c2ccc(Oc3ccc(C[NH+]4CCOCC4)c4cccnc34)nn2)cc1 ZINC000067692263 205254143 /nfs/dbraw/zinc/25/41/43/205254143.db2.gz ZLAYQPRHOLMSGF-UHFFFAOYSA-N 1 2 398.466 4.316 50 0 GIAALO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@H+](C[C@@H]1CCCO1)C2 ZINC000067726270 205256259 /nfs/dbraw/zinc/25/62/59/205256259.db2.gz FRLBSQAOVWURSA-INIZCTEOSA-N 1 2 382.485 4.042 50 0 GIAALO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@@H+](C[C@@H]1CCCO1)C2 ZINC000067726270 205256262 /nfs/dbraw/zinc/25/62/62/205256262.db2.gz FRLBSQAOVWURSA-INIZCTEOSA-N 1 2 382.485 4.042 50 0 GIAALO CCc1ccccc1NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000072242472 205318409 /nfs/dbraw/zinc/31/84/09/205318409.db2.gz AEOCXHCSYNLHRR-IBGZPJMESA-N 1 2 381.520 4.004 50 0 GIAALO COc1ccc(-n2cc(CN(C)Cc3[nH]cc[nH+]3)c(-c3cccc(F)c3)n2)cc1 ZINC000072447965 205353035 /nfs/dbraw/zinc/35/30/35/205353035.db2.gz RUWQQACBZSJGBZ-UHFFFAOYSA-N 1 2 391.450 4.042 50 0 GIAALO COc1ccc(-n2cc(C[N@H+](C)Cc3ncc[nH]3)c(-c3cccc(F)c3)n2)cc1 ZINC000072447965 205353037 /nfs/dbraw/zinc/35/30/37/205353037.db2.gz RUWQQACBZSJGBZ-UHFFFAOYSA-N 1 2 391.450 4.042 50 0 GIAALO COc1ccc(-n2cc(C[N@@H+](C)Cc3ncc[nH]3)c(-c3cccc(F)c3)n2)cc1 ZINC000072447965 205353040 /nfs/dbraw/zinc/35/30/40/205353040.db2.gz RUWQQACBZSJGBZ-UHFFFAOYSA-N 1 2 391.450 4.042 50 0 GIAALO CCC[C@H](Nc1[nH+]cnc2c1c(Br)nn2C)c1ccc(F)cc1F ZINC000079101716 205381199 /nfs/dbraw/zinc/38/11/99/205381199.db2.gz UYIOAHZZQBSEQI-LBPRGKRZSA-N 1 2 396.239 4.357 50 0 GIAALO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000225417559 206047613 /nfs/dbraw/zinc/04/76/13/206047613.db2.gz BVKHDORLPOBISI-FQEVSTJZSA-N 1 2 379.570 4.416 50 0 GIAALO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000225417559 206047617 /nfs/dbraw/zinc/04/76/17/206047617.db2.gz BVKHDORLPOBISI-FQEVSTJZSA-N 1 2 379.570 4.416 50 0 GIAALO COc1cccc(C(=O)N2CCC(Cn3cc[nH+]c3-c3ccccc3)CC2)c1 ZINC000062129240 206104569 /nfs/dbraw/zinc/10/45/69/206104569.db2.gz QWXXYDZHXWYANU-UHFFFAOYSA-N 1 2 375.472 4.111 50 0 GIAALO CC(C)(C)c1ccc(CCC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000032869052 206094654 /nfs/dbraw/zinc/09/46/54/206094654.db2.gz QUDVSMTVINVTOA-UHFFFAOYSA-N 1 2 375.516 4.478 50 0 GIAALO Cc1c(C(=O)Nc2ccccc2C[NH+]2CCOCC2)oc2cc(C)cc(C)c12 ZINC000238901725 206125312 /nfs/dbraw/zinc/12/53/12/206125312.db2.gz MGGFXPGVVGIRME-UHFFFAOYSA-N 1 2 378.472 4.443 50 0 GIAALO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(O)c(OC)cc2Br)o1 ZINC000253429022 206147177 /nfs/dbraw/zinc/14/71/77/206147177.db2.gz AFROBHCWHGNJAB-HNNXBMFYSA-N 1 2 396.281 4.240 50 0 GIAALO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(O)c(OC)cc2Br)o1 ZINC000253429022 206147183 /nfs/dbraw/zinc/14/71/83/206147183.db2.gz AFROBHCWHGNJAB-HNNXBMFYSA-N 1 2 396.281 4.240 50 0 GIAALO CCO[C@H](c1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1ccc(CO)o1)CCO2 ZINC000299758227 206184073 /nfs/dbraw/zinc/18/40/73/206184073.db2.gz MWRKVBJZVSTCQP-XMMPIXPASA-N 1 2 393.483 4.292 50 0 GIAALO CCO[C@H](c1ccccc1)c1ccc2c(c1)C[N@H+](Cc1ccc(CO)o1)CCO2 ZINC000299758227 206184081 /nfs/dbraw/zinc/18/40/81/206184081.db2.gz MWRKVBJZVSTCQP-XMMPIXPASA-N 1 2 393.483 4.292 50 0 GIAALO COCCCN(Cc1cc2ccc(C)cc2[nH+]c1N1CCCCCC1)C(C)=O ZINC000299764612 206186165 /nfs/dbraw/zinc/18/61/65/206186165.db2.gz BLBWBOKUVKBZNA-UHFFFAOYSA-N 1 2 383.536 4.309 50 0 GIAALO O[C@@]1(C(F)(F)F)C=C(c2ccco2)[NH2+]N1c1nc(-c2ccc(F)cc2)cs1 ZINC000005243393 206215761 /nfs/dbraw/zinc/21/57/61/206215761.db2.gz YLMLIYVOAOPQOM-MRXNPFEDSA-N 1 2 397.353 4.408 50 0 GIAALO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000058157503 136154460 /nfs/dbraw/zinc/15/44/60/136154460.db2.gz WPASUPUZHJUBHZ-MRXNPFEDSA-N 1 2 391.437 4.163 50 0 GIAALO Cc1cc(C[NH+]2CCN(c3ccc4c(Cl)ccc(Cl)c4n3)CC2)on1 ZINC000095460595 136179303 /nfs/dbraw/zinc/17/93/03/136179303.db2.gz PFTWTGRUEUXAHZ-UHFFFAOYSA-N 1 2 377.275 4.160 50 0 GIAALO CN(Cc1ccco1)C(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000027403622 523432826 /nfs/dbraw/zinc/43/28/26/523432826.db2.gz ZRPVIOOWYSJXGK-UHFFFAOYSA-N 1 2 377.469 4.492 50 0 GIAALO Cc1ccc(C)c(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000000904733 524139802 /nfs/dbraw/zinc/13/98/02/524139802.db2.gz WJRGVAFGJHTCDV-UHFFFAOYSA-N 1 2 389.484 4.163 50 0 GIAALO CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](c3[nH+]ccn3C)C3CC3)cc2)s1 ZINC000426647425 527218613 /nfs/dbraw/zinc/21/86/13/527218613.db2.gz YICNULOWMTWYDN-LJQANCHMSA-N 1 2 379.485 4.232 50 0 GIAALO CCc1ccc2nc(C)cc(C(=O)N3CCC[C@H](c4[nH+]ccn4CC)C3)c2c1 ZINC000096152594 570215804 /nfs/dbraw/zinc/21/58/04/570215804.db2.gz AKCUFDVIDOALRM-SFHVURJKSA-N 1 2 376.504 4.342 50 0 GIAALO c1ccc(C[N@@H+]2CCO[C@H](CSc3nnc(Nc4ccccc4)s3)C2)cc1 ZINC000019830000 570223158 /nfs/dbraw/zinc/22/31/58/570223158.db2.gz QCYILIOLHLNPDQ-SFHVURJKSA-N 1 2 398.557 4.275 50 0 GIAALO c1ccc(C[N@H+]2CCO[C@H](CSc3nnc(Nc4ccccc4)s3)C2)cc1 ZINC000019830000 570223161 /nfs/dbraw/zinc/22/31/61/570223161.db2.gz QCYILIOLHLNPDQ-SFHVURJKSA-N 1 2 398.557 4.275 50 0 GIAALO Cc1[nH+]c2ccccc2n1C[C@H](O)Cn1c2ccc(C)cc2c2c1C(=O)CCC2 ZINC000000795445 570223874 /nfs/dbraw/zinc/22/38/74/570223874.db2.gz ZGHPSPZDXBQRMT-KRWDZBQOSA-N 1 2 387.483 4.188 50 0 GIAALO Clc1ccccc1C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019900169 570228646 /nfs/dbraw/zinc/22/86/46/570228646.db2.gz NHUZATBMEAQUNZ-UHFFFAOYSA-N 1 2 379.729 4.420 50 0 GIAALO COc1ccc(OCCn2c3ccccc3n(Cc3ccccc3F)c2=[NH2+])cc1 ZINC000019940134 570232811 /nfs/dbraw/zinc/23/28/11/570232811.db2.gz SQNPPWSIJLSLJW-UHFFFAOYSA-N 1 2 391.446 4.197 50 0 GIAALO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000019952761 570233470 /nfs/dbraw/zinc/23/34/70/570233470.db2.gz JRNPCSWHBDESQA-GOSISDBHSA-N 1 2 377.488 4.445 50 0 GIAALO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000019952761 570233471 /nfs/dbraw/zinc/23/34/71/570233471.db2.gz JRNPCSWHBDESQA-GOSISDBHSA-N 1 2 377.488 4.445 50 0 GIAALO CCCCCn1c2ccccc2n(C[C@@H](O)COc2ccc(Cl)cc2)c1=[NH2+] ZINC000020292188 570251927 /nfs/dbraw/zinc/25/19/27/570251927.db2.gz WCESAQKZWXRAOT-QGZVFWFLSA-N 1 2 387.911 4.206 50 0 GIAALO O=C(c1ccc(C2SCCS2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000012858377 570267416 /nfs/dbraw/zinc/26/74/16/570267416.db2.gz LWWPOBYVUBUXRB-UHFFFAOYSA-N 1 2 390.599 4.185 50 0 GIAALO CCCCc1noc(C[NH+]2CCC3(C[C@H]3c3nnc(-c4ccccc4)o3)CC2)n1 ZINC000071889704 570271112 /nfs/dbraw/zinc/27/11/12/570271112.db2.gz YDUCBMMMQKPEKH-KRWDZBQOSA-N 1 2 393.491 4.232 50 0 GIAALO CCOC(=O)C1=C(c2ccccc2)[NH+]=C2Nc3ccccc3N2[C@H]1c1ccccn1 ZINC000020726251 570277072 /nfs/dbraw/zinc/27/70/72/570277072.db2.gz XCGHBESQMSAZHG-QFIPXVFZSA-N 1 2 396.450 4.399 50 0 GIAALO CCOc1ccc(C[N@@H+]2CCc3nc(Nc4cccc(OC)c4)ncc3C2)cc1 ZINC000021038442 570287428 /nfs/dbraw/zinc/28/74/28/570287428.db2.gz APWPSJGTFSPFNM-UHFFFAOYSA-N 1 2 390.487 4.186 50 0 GIAALO CCOc1ccc(C[N@H+]2CCc3nc(Nc4cccc(OC)c4)ncc3C2)cc1 ZINC000021038442 570287432 /nfs/dbraw/zinc/28/74/32/570287432.db2.gz APWPSJGTFSPFNM-UHFFFAOYSA-N 1 2 390.487 4.186 50 0 GIAALO CC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000014137656 570293155 /nfs/dbraw/zinc/29/31/55/570293155.db2.gz NDVFEKGLFJBBOS-UHFFFAOYSA-N 1 2 375.472 4.189 50 0 GIAALO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)cc1 ZINC000034691256 570296097 /nfs/dbraw/zinc/29/60/97/570296097.db2.gz NNGFHTZZKINQTD-HSZRJFAPSA-N 1 2 398.522 4.133 50 0 GIAALO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)cc1 ZINC000034691256 570296100 /nfs/dbraw/zinc/29/61/00/570296100.db2.gz NNGFHTZZKINQTD-HSZRJFAPSA-N 1 2 398.522 4.133 50 0 GIAALO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000021923179 570299145 /nfs/dbraw/zinc/29/91/45/570299145.db2.gz JUZPABHEFPQUHT-UHFFFAOYSA-N 1 2 393.434 4.124 50 0 GIAALO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000021923179 570299148 /nfs/dbraw/zinc/29/91/48/570299148.db2.gz JUZPABHEFPQUHT-UHFFFAOYSA-N 1 2 393.434 4.124 50 0 GIAALO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1sc2ccccc2c1Cl ZINC000022462334 570317592 /nfs/dbraw/zinc/31/75/92/570317592.db2.gz GKFBIBWCWXTGJB-UHFFFAOYSA-N 1 2 392.952 4.320 50 0 GIAALO C[N@@H+]1CCc2nc(NC(=O)c3sc4cc(F)ccc4c3Cl)sc2C1 ZINC000023608153 570327614 /nfs/dbraw/zinc/32/76/14/570327614.db2.gz IZTQJRMBGIKKMS-UHFFFAOYSA-N 1 2 381.885 4.391 50 0 GIAALO C[N@H+]1CCc2nc(NC(=O)c3sc4cc(F)ccc4c3Cl)sc2C1 ZINC000023608153 570327618 /nfs/dbraw/zinc/32/76/18/570327618.db2.gz IZTQJRMBGIKKMS-UHFFFAOYSA-N 1 2 381.885 4.391 50 0 GIAALO CCCCc1nc2cc(C(=O)N3CC[N@H+](C)[C@H](c4ccccc4)C3)ccc2o1 ZINC000023366625 570357241 /nfs/dbraw/zinc/35/72/41/570357241.db2.gz GLVRIQPWUXDCNB-FQEVSTJZSA-N 1 2 377.488 4.299 50 0 GIAALO CCCCc1nc2cc(C(=O)N3CC[N@@H+](C)[C@H](c4ccccc4)C3)ccc2o1 ZINC000023366625 570357245 /nfs/dbraw/zinc/35/72/45/570357245.db2.gz GLVRIQPWUXDCNB-FQEVSTJZSA-N 1 2 377.488 4.299 50 0 GIAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)c2ccccc2Br)C1 ZINC000575616878 570359675 /nfs/dbraw/zinc/35/96/75/570359675.db2.gz KUBGSRNGVZORBN-AWEZNQCLSA-N 1 2 384.277 4.194 50 0 GIAALO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000023697962 570369433 /nfs/dbraw/zinc/36/94/33/570369433.db2.gz LFHRDSCCHHUVLD-AWEZNQCLSA-N 1 2 386.858 4.412 50 0 GIAALO CC(=O)c1ccc(-c2ccc(C(=O)N3CC[NH+](Cc4cccs4)CC3)o2)cc1 ZINC000023735721 570370843 /nfs/dbraw/zinc/37/08/43/570370843.db2.gz NHQOBVMAIMAADB-UHFFFAOYSA-N 1 2 394.496 4.169 50 0 GIAALO C[C@H](NC(=O)CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2)c1cccs1 ZINC000032752917 570393629 /nfs/dbraw/zinc/39/36/29/570393629.db2.gz HPERAFSEMJFPLG-JTQLQIEISA-N 1 2 386.477 4.281 50 0 GIAALO C[C@@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000026388945 570425342 /nfs/dbraw/zinc/42/53/42/570425342.db2.gz NHSOIKMRTBGUHZ-GFCCVEGCSA-N 1 2 390.274 4.135 50 0 GIAALO Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)cc(=O)c2c1 ZINC000028288463 570454953 /nfs/dbraw/zinc/45/49/53/570454953.db2.gz ZHBNPYBDXVOERR-SFHVURJKSA-N 1 2 398.890 4.096 50 0 GIAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2N1CCc2ccccc2C1 ZINC000028405996 570459514 /nfs/dbraw/zinc/45/95/14/570459514.db2.gz SSBDQXYJLVMYAW-UHFFFAOYSA-N 1 2 375.863 4.340 50 0 GIAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(F)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1)S2 ZINC000016690112 570494718 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GIAALO COC(=O)[C@@H]1[NH2+][C@H](c2ccccc2)[C@H](C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000034215859 570595316 /nfs/dbraw/zinc/59/53/16/570595316.db2.gz ZLTWMIIWDSCMMT-OLKYXYMISA-N 1 2 399.490 4.464 50 0 GIAALO Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2N1CCN(c2cccc[nH+]2)CC1 ZINC000040216887 570596271 /nfs/dbraw/zinc/59/62/71/570596271.db2.gz QBHILHPWIDEEON-UHFFFAOYSA-N 1 2 398.514 4.043 50 0 GIAALO O=c1[nH]c(C[NH+]2CCC(Cc3ccccc3)CC2)nc2sc3c(c21)CCCC3 ZINC000003571908 570611326 /nfs/dbraw/zinc/61/13/26/570611326.db2.gz YAQPTHGNWCEBNX-UHFFFAOYSA-N 1 2 393.556 4.318 50 0 GIAALO CC1(C)CC(=O)C(=CNNc2[nH+]c(-c3ccccc3)nc3ccccc32)C(=O)C1 ZINC000096564230 570646250 /nfs/dbraw/zinc/64/62/50/570646250.db2.gz UHOJDHNMSQDURZ-UHFFFAOYSA-N 1 2 386.455 4.055 50 0 GIAALO Fc1cccc([C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000012429369 570657992 /nfs/dbraw/zinc/65/79/92/570657992.db2.gz ZOGSGUCXZIRNBS-KRWDZBQOSA-N 1 2 381.407 4.332 50 0 GIAALO Fc1cccc([C@@H]2CCCC[N@H+]2Cc2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000012429369 570657995 /nfs/dbraw/zinc/65/79/95/570657995.db2.gz ZOGSGUCXZIRNBS-KRWDZBQOSA-N 1 2 381.407 4.332 50 0 GIAALO CC1CC[NH+](Cc2csc(NC(=O)CCn3ccc4ccccc43)n2)CC1 ZINC000025011673 570664855 /nfs/dbraw/zinc/66/48/55/570664855.db2.gz NHYIQWGLYWAHNS-UHFFFAOYSA-N 1 2 382.533 4.359 50 0 GIAALO CC[N@H+](CCCNC(=O)c1noc2c1COc1ccccc1-2)c1cccc(C)c1 ZINC000033028800 570666960 /nfs/dbraw/zinc/66/69/60/570666960.db2.gz KVYWTSWEOHRNPX-UHFFFAOYSA-N 1 2 391.471 4.189 50 0 GIAALO CC[N@@H+](CCCNC(=O)c1noc2c1COc1ccccc1-2)c1cccc(C)c1 ZINC000033028800 570666961 /nfs/dbraw/zinc/66/69/61/570666961.db2.gz KVYWTSWEOHRNPX-UHFFFAOYSA-N 1 2 391.471 4.189 50 0 GIAALO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2csc(C(C)=O)c2)C1 ZINC000012744860 570708269 /nfs/dbraw/zinc/70/82/69/570708269.db2.gz ZRNRQWHGRIUKRT-HNNXBMFYSA-N 1 2 375.465 4.193 50 0 GIAALO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2csc(C(C)=O)c2)C1 ZINC000012744860 570708273 /nfs/dbraw/zinc/70/82/73/570708273.db2.gz ZRNRQWHGRIUKRT-HNNXBMFYSA-N 1 2 375.465 4.193 50 0 GIAALO Cc1ccc(CNC(=O)c2ccc(-c3ccc(N4CCSCC4)[nH+]c3)cc2)o1 ZINC000065178344 570724137 /nfs/dbraw/zinc/72/41/37/570724137.db2.gz HXWGABLEWOBWIE-UHFFFAOYSA-N 1 2 393.512 4.133 50 0 GIAALO COc1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000012972166 570733392 /nfs/dbraw/zinc/73/33/92/570733392.db2.gz CXLCRMUYPLWWPX-JOCHJYFZSA-N 1 2 378.497 4.343 50 0 GIAALO COc1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000012972166 570733396 /nfs/dbraw/zinc/73/33/96/570733396.db2.gz CXLCRMUYPLWWPX-JOCHJYFZSA-N 1 2 378.497 4.343 50 0 GIAALO COc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012976083 570734565 /nfs/dbraw/zinc/73/45/65/570734565.db2.gz MNRKVXNDIZUMQY-JOCHJYFZSA-N 1 2 378.497 4.343 50 0 GIAALO COc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012976083 570734566 /nfs/dbraw/zinc/73/45/66/570734566.db2.gz MNRKVXNDIZUMQY-JOCHJYFZSA-N 1 2 378.497 4.343 50 0 GIAALO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Oc2ccc(F)cc2)c1 ZINC000206827738 570751855 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C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cccc(Br)c1 ZINC000032754430 570797143 /nfs/dbraw/zinc/79/71/43/570797143.db2.gz SLNVVXUUIPTHDD-ZDUSSCGKSA-N 1 2 382.323 4.046 50 0 GIAALO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cccc(Br)c1 ZINC000032754430 570797148 /nfs/dbraw/zinc/79/71/48/570797148.db2.gz SLNVVXUUIPTHDD-ZDUSSCGKSA-N 1 2 382.323 4.046 50 0 GIAALO C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000018048240 570798055 /nfs/dbraw/zinc/79/80/55/570798055.db2.gz YGPJMBQDYGGHMK-CYBMUJFWSA-N 1 2 375.350 4.262 50 0 GIAALO COc1ccccc1NC(=O)N(C)[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000012520412 570827618 /nfs/dbraw/zinc/82/76/18/570827618.db2.gz GXGKLNKTAAYHQV-SFHVURJKSA-N 1 2 384.867 4.335 50 0 GIAALO CCSc1[nH+]ccc2c1ccn2CC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000033172299 570836665 /nfs/dbraw/zinc/83/66/65/570836665.db2.gz IEZWJZYCXBSJQM-UHFFFAOYSA-N 1 2 393.434 4.484 50 0 GIAALO Cn1c2ccccc2n(C[N@H+](C)Cc2cnn(Cc3ccccc3)c2)c1=S ZINC000012544225 570844542 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GIAALO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+](C)Cc1cccc(F)c1 ZINC000097001031 570885717 /nfs/dbraw/zinc/88/57/17/570885717.db2.gz JHOCAHYTKDWZGA-OAHLLOKOSA-N 1 2 375.513 4.468 50 0 GIAALO C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+](C)Cc1cccc(F)c1 ZINC000097001031 570885723 /nfs/dbraw/zinc/88/57/23/570885723.db2.gz JHOCAHYTKDWZGA-OAHLLOKOSA-N 1 2 375.513 4.468 50 0 GIAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCn1ccc2ccccc21)c1ccc(Cl)cc1 ZINC000012603649 570887401 /nfs/dbraw/zinc/88/74/01/570887401.db2.gz WDVOIGUEKOCWDN-NRFANRHFSA-N 1 2 392.890 4.324 50 0 GIAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2occc2-c2ccccc2)cc1 ZINC000032905057 570904031 /nfs/dbraw/zinc/90/40/31/570904031.db2.gz CXHBKKPIZMXYRX-JOCHJYFZSA-N 1 2 390.483 4.058 50 0 GIAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1c2ccccc2Oc2ccccc21 ZINC000032905545 570904090 /nfs/dbraw/zinc/90/40/90/570904090.db2.gz ASMPKWDSUYOALR-UHFFFAOYSA-N 1 2 385.467 4.236 50 0 GIAALO COc1ccccc1Nc1ncc2c(n1)CC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000015778843 570904441 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C[N@@H+](Cc1nc(Cc2ccccc2F)no1)Cc1cccc(C(F)(F)F)c1 ZINC000055183172 205145527 /nfs/dbraw/zinc/14/55/27/205145527.db2.gz GYZCESJTADYQDZ-UHFFFAOYSA-N 1 2 379.357 4.450 50 0 GIAALO O=C(c1c[nH+]c2ccccc2c1Nc1ccc(F)c(F)c1)N1CCSCC1 ZINC000064471776 205190120 /nfs/dbraw/zinc/19/01/20/205190120.db2.gz XAZBZMRQDGTLGX-UHFFFAOYSA-N 1 2 385.439 4.446 50 0 GIAALO Cc1ccc(Cl)cc1Nc1c(C(=O)N2CCOCC2)c[nH+]c2ccccc21 ZINC000064471562 205191066 /nfs/dbraw/zinc/19/10/66/205191066.db2.gz OXKCUZYHQNYCEX-UHFFFAOYSA-N 1 2 381.863 4.413 50 0 GIAALO CCc1ccc(NC(=O)Cn2c3cc4c(cc3[nH+]c2C(C)C)OCCO4)cc1 ZINC000064795215 205195868 /nfs/dbraw/zinc/19/58/68/205195868.db2.gz ROQOKLPJNKKDPM-UHFFFAOYSA-N 1 2 379.460 4.132 50 0 GIAALO CCNc1cc(N2CCC(CCC(=O)Nc3ccccc3CC)CC2)nc[nH+]1 ZINC000065274036 205226403 /nfs/dbraw/zinc/22/64/03/205226403.db2.gz XPOVQNKGCVQQDY-UHFFFAOYSA-N 1 2 381.524 4.106 50 0 GIAALO CCNc1cc(N2CCC(CCC(=O)Nc3ccccc3CC)CC2)[nH+]cn1 ZINC000065274036 205226408 /nfs/dbraw/zinc/22/64/08/205226408.db2.gz XPOVQNKGCVQQDY-UHFFFAOYSA-N 1 2 381.524 4.106 50 0 GIAALO CC/C=C\CCc1c(-c2ccccc2)[nH+]cn1[C@H](C)c1nncn1CCOC ZINC000065407424 205234039 /nfs/dbraw/zinc/23/40/39/205234039.db2.gz OPSWBZKAARJNRL-OOFWQKGWSA-N 1 2 379.508 4.296 50 0 GIAALO CC(C)=Cc1c(-c2ccccc2)ncn1C[C@H](c1ccncc1)[NH+]1CCOCC1 ZINC000065464390 205234560 /nfs/dbraw/zinc/23/45/60/205234560.db2.gz IQLGBYIHKWSZER-HSZRJFAPSA-N 1 2 388.515 4.442 50 0 GIAALO COc1cccc(-c2nc(C[N@H+](C)Cc3cnc(C)s3)cs2)c1OC ZINC000065592306 205239111 /nfs/dbraw/zinc/23/91/11/205239111.db2.gz WHMMBNCEGAGZNZ-UHFFFAOYSA-N 1 2 375.519 4.224 50 0 GIAALO COc1cccc(-c2nc(C[N@@H+](C)Cc3cnc(C)s3)cs2)c1OC ZINC000065592306 205239115 /nfs/dbraw/zinc/23/91/15/205239115.db2.gz WHMMBNCEGAGZNZ-UHFFFAOYSA-N 1 2 375.519 4.224 50 0 GIAALO COc1ccc(CNc2c(C(=O)N3CCCC3)c[nH+]c3ccc(F)cc32)cc1 ZINC000067288211 205244603 /nfs/dbraw/zinc/24/46/03/205244603.db2.gz AQVLAAUFVMZTCN-UHFFFAOYSA-N 1 2 379.435 4.231 50 0 GIAALO Clc1cccc2ccc(CN3CCc4[nH+]c[nH]c4[C@@H]3c3ccncc3)nc12 ZINC000067678702 205255067 /nfs/dbraw/zinc/25/50/67/205255067.db2.gz WXTFNNQIYWCHHS-NRFANRHFSA-N 1 2 375.863 4.154 50 0 GIAALO Cc1c2cc(CNC(=O)[C@@H](C)n3cc[nH+]c3)ccc2[nH]c1-c1ccccc1F ZINC000071404141 205284112 /nfs/dbraw/zinc/28/41/12/205284112.db2.gz YJCAXSMIDODQDL-OAHLLOKOSA-N 1 2 376.435 4.356 50 0 GIAALO CC(C)(C)c1ccc(OCc2nn3c(C[NH+]4CCCCCC4)nnc3s2)cc1 ZINC000071260602 205279810 /nfs/dbraw/zinc/27/98/10/205279810.db2.gz RPRSAXRKWZYERX-UHFFFAOYSA-N 1 2 399.564 4.438 50 0 GIAALO c1ccc2c(c1)cccc2OCc1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000071260609 205279970 /nfs/dbraw/zinc/27/99/70/205279970.db2.gz FGVKJPCKZOHDSA-UHFFFAOYSA-N 1 2 393.516 4.294 50 0 GIAALO COCc1nc(C[N@@H+]2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)no1 ZINC000072168343 205315167 /nfs/dbraw/zinc/31/51/67/205315167.db2.gz SYKVBJHKRCPDFM-HNNXBMFYSA-N 1 2 383.414 4.080 50 0 GIAALO COCc1nc(C[N@H+]2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)no1 ZINC000072168343 205315169 /nfs/dbraw/zinc/31/51/69/205315169.db2.gz SYKVBJHKRCPDFM-HNNXBMFYSA-N 1 2 383.414 4.080 50 0 GIAALO Cc1ccc2nc(C)cc(C(=O)N3CCCC[C@@H]3CCc3[nH+]ccn3C)c2c1 ZINC000077457869 205362482 /nfs/dbraw/zinc/36/24/82/205362482.db2.gz LUXDAGLZBLGXHN-GOSISDBHSA-N 1 2 376.504 4.213 50 0 GIAALO Cc1cccc(-n2cc(C[N@@H+](C)Cc3cnccn3)c(-c3cccc(F)c3)n2)c1 ZINC000072418599 205347807 /nfs/dbraw/zinc/34/78/07/205347807.db2.gz LTLYYOCVJSXJPB-UHFFFAOYSA-N 1 2 387.462 4.409 50 0 GIAALO Cc1cccc(-n2cc(C[N@H+](C)Cc3cnccn3)c(-c3cccc(F)c3)n2)c1 ZINC000072418599 205347811 /nfs/dbraw/zinc/34/78/11/205347811.db2.gz LTLYYOCVJSXJPB-UHFFFAOYSA-N 1 2 387.462 4.409 50 0 GIAALO c1cc2c(nc(NCc3ccccn3)cc2-c2ccc(Cn3cc[nH+]c3)cc2)[nH]1 ZINC000077521752 205365470 /nfs/dbraw/zinc/36/54/70/205365470.db2.gz YZSIDIJDRNRETO-UHFFFAOYSA-N 1 2 380.455 4.482 50 0 GIAALO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000084504862 205393874 /nfs/dbraw/zinc/39/38/74/205393874.db2.gz UWGWLUBJXYOOBU-UHFFFAOYSA-N 1 2 398.850 4.009 50 0 GIAALO O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082120440 205387822 /nfs/dbraw/zinc/38/78/22/205387822.db2.gz BYEPVSZALXARED-MRXNPFEDSA-N 1 2 377.410 4.332 50 0 GIAALO COc1ccc(-c2[nH+]ccn2[C@@H]2COC3(CCCC3)C2)cc1Cn1cccn1 ZINC000082119916 205388159 /nfs/dbraw/zinc/38/81/59/205388159.db2.gz BVLFFTYDVQWZQY-IBGZPJMESA-N 1 2 378.476 4.078 50 0 GIAALO Cc1cccn2cc(CC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)[nH+]c12 ZINC000084247924 205392868 /nfs/dbraw/zinc/39/28/68/205392868.db2.gz SZRTTWPTAFEFNA-UHFFFAOYSA-N 1 2 380.448 4.010 50 0 GIAALO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000084656224 205397376 /nfs/dbraw/zinc/39/73/76/205397376.db2.gz ZPHBIKSOYFFEPO-SNVBAGLBSA-N 1 2 394.294 4.459 50 0 GIAALO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1nc(-c2ccc(Br)s2)no1 ZINC000084656224 205397379 /nfs/dbraw/zinc/39/73/79/205397379.db2.gz ZPHBIKSOYFFEPO-SNVBAGLBSA-N 1 2 394.294 4.459 50 0 GIAALO O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000095512593 205481869 /nfs/dbraw/zinc/48/18/69/205481869.db2.gz WBLVZEDSHQTXES-UHFFFAOYSA-N 1 2 394.450 4.192 50 0 GIAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc(C2SCCS2)cc1 ZINC000032860017 206094407 /nfs/dbraw/zinc/09/44/07/206094407.db2.gz UGFMNKVGWXQVPA-UHFFFAOYSA-N 1 2 395.553 4.340 50 0 GIAALO C[C@@H](c1nnc(-c2ccccc2)o1)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000096124634 206119379 /nfs/dbraw/zinc/11/93/79/206119379.db2.gz ZATJNEOGFPMELH-AWEZNQCLSA-N 1 2 388.924 4.330 50 0 GIAALO O=C(Nc1cccc(-c2ccccc2)c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000299781401 206190861 /nfs/dbraw/zinc/19/08/61/206190861.db2.gz RGPDFJPRPSKXGW-JOCHJYFZSA-N 1 2 379.504 4.072 50 0 GIAALO Cc1cc(C)[nH+]c(-c2cccc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)c2)c1 ZINC000299797392 206191236 /nfs/dbraw/zinc/19/12/36/206191236.db2.gz AAQLHQZCCUBQGV-HXUWFJFHSA-N 1 2 388.467 4.277 50 0 GIAALO CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)SC2=[NH+]CCN21 ZINC000001409344 206211892 /nfs/dbraw/zinc/21/18/92/206211892.db2.gz HWEBSMRGMZCOPA-HNNXBMFYSA-N 1 2 384.423 4.391 50 0 GIAALO C[C@@H](Sc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000010037700 221096615 /nfs/dbraw/zinc/09/66/15/221096615.db2.gz LLMOTGODNLVBOU-HUUCEWRRSA-N 1 2 398.507 4.393 50 0 GIAALO COc1ccc(-c2cc(C[NH+]3CCN(c4ccccc4Cl)CC3)on2)cc1 ZINC000012557703 221207007 /nfs/dbraw/zinc/20/70/07/221207007.db2.gz CPGIOSRAFJFWFN-UHFFFAOYSA-N 1 2 383.879 4.326 50 0 GIAALO CCOc1ccccc1N1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000058172526 136154798 /nfs/dbraw/zinc/15/47/98/136154798.db2.gz MHLRSJOEQDNSKM-UHFFFAOYSA-N 1 2 398.894 4.111 50 0 GIAALO Cc1ccc(C)c(NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)c1 ZINC000065245144 136161435 /nfs/dbraw/zinc/16/14/35/136161435.db2.gz JFAQOLRZLUTJFC-SFHVURJKSA-N 1 2 393.535 4.303 50 0 GIAALO Cc1ccc(C)c(NC(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)c1 ZINC000065245144 136161436 /nfs/dbraw/zinc/16/14/36/136161436.db2.gz JFAQOLRZLUTJFC-SFHVURJKSA-N 1 2 393.535 4.303 50 0 GIAALO CC(C)c1[nH]c2ccc(NC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2[nH+]1 ZINC000096164075 136184897 /nfs/dbraw/zinc/18/48/97/136184897.db2.gz OSQUWPLPJDEWPW-UHFFFAOYSA-N 1 2 381.455 4.180 50 0 GIAALO CC[C@H](C)c1nc(N2CCN(C(C)=O)CC2)c(Cc2cc(C)ccc2C)c(C)[nH+]1 ZINC000096316955 136186324 /nfs/dbraw/zinc/18/63/24/136186324.db2.gz XCFLUZXDAGEWRJ-KRWDZBQOSA-N 1 2 394.563 4.175 50 0 GIAALO Cc1ccc(Cc2c(C)[nH+]c(C(C)C)nc2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC000096317186 136186445 /nfs/dbraw/zinc/18/64/45/136186445.db2.gz XYAQMCRBHICAJF-UHFFFAOYSA-N 1 2 394.563 4.112 50 0 GIAALO O=C(NCc1ccccc1F)c1cccc(-c2ccc(N3CCCC3)[nH+]c2)c1 ZINC000065178386 222105619 /nfs/dbraw/zinc/10/56/19/222105619.db2.gz ROBMGSWCRQRCGC-UHFFFAOYSA-N 1 2 375.447 4.418 50 0 GIAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CCCCCCC3)csc2C1 ZINC000426470477 534362405 /nfs/dbraw/zinc/36/24/05/534362405.db2.gz BHPIMURDYVUYTB-UHFFFAOYSA-N 1 2 387.549 4.318 50 0 GIAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CCCCCCC3)csc2C1 ZINC000426470477 534362420 /nfs/dbraw/zinc/36/24/20/534362420.db2.gz BHPIMURDYVUYTB-UHFFFAOYSA-N 1 2 387.549 4.318 50 0 GIAALO CC(=O)N1CCc2cc(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)ccc21 ZINC000058057674 519630701 /nfs/dbraw/zinc/63/07/01/519630701.db2.gz CFIITSQYJZOTNN-UHFFFAOYSA-N 1 2 398.506 4.481 50 0 GIAALO CCC1(CNC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)CCC1 ZINC000426711329 527744271 /nfs/dbraw/zinc/74/42/71/527744271.db2.gz NLDWIEPOENWJFU-UHFFFAOYSA-N 1 2 387.549 4.221 50 0 GIAALO CCC1(CNC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)CCC1 ZINC000426711329 527744279 /nfs/dbraw/zinc/74/42/79/527744279.db2.gz NLDWIEPOENWJFU-UHFFFAOYSA-N 1 2 387.549 4.221 50 0 GIAALO CCC[C@@H](O)c1ccc(-c2ccc(C(=O)N(C)CCn3cc[nH+]c3)cc2)cc1 ZINC000426652869 529078355 /nfs/dbraw/zinc/07/83/55/529078355.db2.gz ITAGGJKMDDXORN-JOCHJYFZSA-N 1 2 377.488 4.156 50 0 GIAALO Cc1cccn2cc(COc3ccc(C(=O)NCCc4cccs4)cc3)[nH+]c12 ZINC000011563629 570229692 /nfs/dbraw/zinc/22/96/92/570229692.db2.gz KTBZTIMZGOGUGG-UHFFFAOYSA-N 1 2 391.496 4.256 50 0 GIAALO CCc1cccc(NC(=O)c2ccc([C@H]3CCC[N@@H+]3Cc3cc(C)n[nH]3)s2)n1 ZINC000020167394 570245463 /nfs/dbraw/zinc/24/54/63/570245463.db2.gz CAARBCNPXQXORB-QGZVFWFLSA-N 1 2 395.532 4.326 50 0 GIAALO CCc1cccc(NC(=O)c2ccc([C@H]3CCC[N@H+]3Cc3cc(C)n[nH]3)s2)n1 ZINC000020167394 570245466 /nfs/dbraw/zinc/24/54/66/570245466.db2.gz CAARBCNPXQXORB-QGZVFWFLSA-N 1 2 395.532 4.326 50 0 GIAALO Cc1oc(-c2cccc(Cl)c2)nc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000020450461 570256714 /nfs/dbraw/zinc/25/67/14/570256714.db2.gz VIVJXUYGALWMNS-UHFFFAOYSA-N 1 2 382.895 4.016 50 0 GIAALO CCOc1ccc2ccccc2c1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000049027082 570259671 /nfs/dbraw/zinc/25/96/71/570259671.db2.gz WQTSPPVBQYSAHG-UHFFFAOYSA-N 1 2 380.513 4.258 50 0 GIAALO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2nc3ccccc3s2)cc1Cl ZINC000012852987 570266779 /nfs/dbraw/zinc/26/67/79/570266779.db2.gz NQNABAXMDXWJMC-LBPRGKRZSA-N 1 2 389.908 4.417 50 0 GIAALO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2nc3ccccc3s2)cc1Cl ZINC000012852987 570266783 /nfs/dbraw/zinc/26/67/83/570266783.db2.gz NQNABAXMDXWJMC-LBPRGKRZSA-N 1 2 389.908 4.417 50 0 GIAALO CC(C)Cc1noc(C[NH+]2CCC3(C[C@@H]3c3nnc(-c4ccccc4)o3)CC2)n1 ZINC000071889677 570270842 /nfs/dbraw/zinc/27/08/42/570270842.db2.gz PLXYWFUQMBCVCN-QGZVFWFLSA-N 1 2 393.491 4.088 50 0 GIAALO Cc1ccc(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1Cl ZINC000052537696 570271002 /nfs/dbraw/zinc/27/10/02/570271002.db2.gz WFASQOMVNXCOCC-UHFFFAOYSA-N 1 2 378.303 4.063 50 0 GIAALO CC(C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000034681487 570299841 /nfs/dbraw/zinc/29/98/41/570299841.db2.gz VJOQYCXZPNCHHR-UHFFFAOYSA-N 1 2 386.927 4.042 50 0 GIAALO Cc1ccc2c(c1)c1c3n2CC[N@H+](C[C@@H](O)COc2ccccc2)[C@H]3CCC1 ZINC000001231790 570322369 /nfs/dbraw/zinc/32/23/69/570322369.db2.gz KBIFTPPLPSKXQS-JPYJTQIMSA-N 1 2 376.500 4.083 50 0 GIAALO Cc1ccc2c(c1)c1c3n2CC[N@@H+](C[C@@H](O)COc2ccccc2)[C@H]3CCC1 ZINC000001231790 570322370 /nfs/dbraw/zinc/32/23/70/570322370.db2.gz KBIFTPPLPSKXQS-JPYJTQIMSA-N 1 2 376.500 4.083 50 0 GIAALO Fc1ccc([C@H](CNc2ncnc3c4ccccc4oc32)[NH+]2CCOCC2)cc1 ZINC000023381273 570322441 /nfs/dbraw/zinc/32/24/41/570322441.db2.gz KTGWYBHPQMVZCR-SFHVURJKSA-N 1 2 392.434 4.001 50 0 GIAALO Cc1ccc2c(CN3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc(=O)oc2c1 ZINC000022752980 570326328 /nfs/dbraw/zinc/32/63/28/570326328.db2.gz SWVQYIJFRLRPMG-UHFFFAOYSA-N 1 2 382.891 4.073 50 0 biogenic,in-vitro GIAALO C[C@H](c1nnc(-c2cccs2)o1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022802649 570329248 /nfs/dbraw/zinc/32/92/48/570329248.db2.gz HGYLIOFBWRZKMI-CQSZACIVSA-N 1 2 388.924 4.330 50 0 GIAALO O=C(C1CCN(c2[nH+]c3ccccc3n2CC2CCCCC2)CC1)N1CCCC1 ZINC000034906508 570339052 /nfs/dbraw/zinc/33/90/52/570339052.db2.gz JHUVRVRCMBBPST-UHFFFAOYSA-N 1 2 394.563 4.455 50 0 GIAALO Cc1ccc(C(=O)N[C@@H]2CCN(c3[nH+]c4ccccc4n3C3CCCC3)C2)cc1 ZINC000034907204 570339424 /nfs/dbraw/zinc/33/94/24/570339424.db2.gz MRZUCPRTUAWFJA-LJQANCHMSA-N 1 2 388.515 4.469 50 0 GIAALO COc1cccc(C(=O)N2CCC(n3c(C)[nH+]c4ccc(F)cc43)CC2)c1C ZINC000034915379 570344289 /nfs/dbraw/zinc/34/42/89/570344289.db2.gz ALZZXTMMRGKCEZ-UHFFFAOYSA-N 1 2 381.451 4.278 50 0 GIAALO Cc1ccc(C[NH+]2CCN(C(=O)c3noc4c3C[C@H](C(C)(C)C)CC4)CC2)cc1 ZINC000023237096 570351922 /nfs/dbraw/zinc/35/19/22/570351922.db2.gz JRIQWWIAPADBQL-LJQANCHMSA-N 1 2 395.547 4.092 50 0 GIAALO CCCCN1c2ccccc2[N@@H+](CC(=O)c2ccc(Br)cc2)C1=N ZINC000023550210 570365602 /nfs/dbraw/zinc/36/56/02/570365602.db2.gz GVSYWFRQLYFWEJ-UHFFFAOYSA-N 1 2 386.293 4.368 50 0 GIAALO CCCCN1c2ccccc2[N@H+](CC(=O)c2ccc(Br)cc2)C1=N ZINC000023550210 570365605 /nfs/dbraw/zinc/36/56/05/570365605.db2.gz GVSYWFRQLYFWEJ-UHFFFAOYSA-N 1 2 386.293 4.368 50 0 GIAALO O=C(c1cccs1)N1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000023865057 570373943 /nfs/dbraw/zinc/37/39/43/570373943.db2.gz VLQBOABALGCWRG-UHFFFAOYSA-N 1 2 378.497 4.498 50 0 GIAALO Cc1[nH+]c2ccccc2n1CCNC(=O)CCCOc1ccc(Cl)cc1C ZINC000024979204 570401054 /nfs/dbraw/zinc/40/10/54/570401054.db2.gz ZMASMUOGQKKWHA-UHFFFAOYSA-N 1 2 385.895 4.282 50 0 GIAALO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C/c1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000040131759 570409873 /nfs/dbraw/zinc/40/98/73/570409873.db2.gz QTLBSUXMZTWCSH-YXBWYFRISA-N 1 2 387.817 4.271 50 0 GIAALO COc1ccc([C@H](NC(=O)c2ccc(C(C)(C)C)cc2)c2[nH+]ccn2C)cc1 ZINC000016472637 570425386 /nfs/dbraw/zinc/42/53/86/570425386.db2.gz PKYCISVZFADMCI-FQEVSTJZSA-N 1 2 377.488 4.246 50 0 GIAALO Cc1ccccc1NC(=O)Nc1ccc2[nH+]c(N3CCOCC3)cc(C)c2c1 ZINC000032953851 570434199 /nfs/dbraw/zinc/43/41/99/570434199.db2.gz UTLPAQALRSKDPB-UHFFFAOYSA-N 1 2 376.460 4.332 50 0 GIAALO C[C@H](CCc1ccccc1)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000029319928 570471669 /nfs/dbraw/zinc/47/16/69/570471669.db2.gz LANYCHHSTHNTHR-OXQOHEQNSA-N 1 2 396.922 4.483 50 0 GIAALO C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)c1ccc(Cl)cc1Cl ZINC000029328610 570472379 /nfs/dbraw/zinc/47/23/79/570472379.db2.gz DURZCJDIMXSDAS-LBPRGKRZSA-N 1 2 390.274 4.135 50 0 GIAALO Cc1nc2ccc(Cl)cc2cc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030030502 570485574 /nfs/dbraw/zinc/48/55/74/570485574.db2.gz CJMIUHBRUDZVLE-OAQYLSRUSA-N 1 2 379.891 4.326 50 0 GIAALO Cc1nc2ccc(Cl)cc2cc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030030502 570485578 /nfs/dbraw/zinc/48/55/78/570485578.db2.gz CJMIUHBRUDZVLE-OAQYLSRUSA-N 1 2 379.891 4.326 50 0 GIAALO C[C@@H]1CCc2[nH]c3c(cccc3C(=O)NCc3ccc(N4CCCC4)[nH+]c3)c2C1 ZINC000030634107 570492866 /nfs/dbraw/zinc/49/28/66/570492866.db2.gz SGYLALBUQPUHSL-MRXNPFEDSA-N 1 2 388.515 4.218 50 0 GIAALO CCCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CC[NH+](C)CC2)cc1 ZINC000030825733 570497504 /nfs/dbraw/zinc/49/75/04/570497504.db2.gz YIIOZHOUAQNTGB-UHFFFAOYSA-N 1 2 387.911 4.133 50 0 GIAALO CCCNC(=O)N(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000006690087 570533333 /nfs/dbraw/zinc/53/33/33/570533333.db2.gz FLZWAOKLHXFZKY-UHFFFAOYSA-N 1 2 381.307 4.322 50 0 GIAALO CCOc1ccc(C(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022906990 570563346 /nfs/dbraw/zinc/56/33/46/570563346.db2.gz WWPNSDLBHVTVIS-JOCHJYFZSA-N 1 2 390.483 4.208 50 0 GIAALO CCOc1ccc(C(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022906990 570563352 /nfs/dbraw/zinc/56/33/52/570563352.db2.gz WWPNSDLBHVTVIS-JOCHJYFZSA-N 1 2 390.483 4.208 50 0 GIAALO COc1cccc(C[N@H+](C)Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000012459005 570670302 /nfs/dbraw/zinc/67/03/02/570670302.db2.gz ZBEJFICAFLRDHQ-UHFFFAOYSA-N 1 2 382.460 4.308 50 0 GIAALO COc1cccc(C[N@@H+](C)Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000012459005 570670304 /nfs/dbraw/zinc/67/03/04/570670304.db2.gz ZBEJFICAFLRDHQ-UHFFFAOYSA-N 1 2 382.460 4.308 50 0 GIAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1nc(C)c(-c2ccccn2)s1 ZINC000012793000 570714736 /nfs/dbraw/zinc/71/47/36/570714736.db2.gz NLQRHGBWZVJXEX-UHFFFAOYSA-N 1 2 377.473 4.064 50 0 GIAALO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+](C)Cc1ccccc1OC ZINC000032654909 570726981 /nfs/dbraw/zinc/72/69/81/570726981.db2.gz HODIUQWVAVEGMT-UHFFFAOYSA-N 1 2 378.472 4.361 50 0 GIAALO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+](C)Cc1ccccc1OC ZINC000032654909 570726985 /nfs/dbraw/zinc/72/69/85/570726985.db2.gz HODIUQWVAVEGMT-UHFFFAOYSA-N 1 2 378.472 4.361 50 0 GIAALO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1Nc1ccc2c(c1)OCCO2 ZINC000000949028 570735058 /nfs/dbraw/zinc/73/50/58/570735058.db2.gz FAJATTYYPNXUCW-UHFFFAOYSA-N 1 2 394.427 4.325 50 0 GIAALO COc1ccc(CCC2CC[NH+](CC(=O)Nc3c(F)cccc3F)CC2)cc1 ZINC000012999270 570740343 /nfs/dbraw/zinc/74/03/43/570740343.db2.gz UJQUFXCZOKTGMH-UHFFFAOYSA-N 1 2 388.458 4.257 50 0 GIAALO COc1cccc(CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c1 ZINC000032691316 570742429 /nfs/dbraw/zinc/74/24/29/570742429.db2.gz SHQTYIUNSIMYCT-AWEZNQCLSA-N 1 2 386.496 4.330 50 0 GIAALO C[N@H+](CCOc1ccc(Cl)cc1)Cc1cc(=O)oc2cc(O)c(Cl)cc12 ZINC000013056691 570744218 /nfs/dbraw/zinc/74/42/18/570744218.db2.gz KALHENQVWYHZML-UHFFFAOYSA-N 1 2 394.254 4.316 50 0 GIAALO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cc(=O)oc2cc(O)c(Cl)cc12 ZINC000013056691 570744222 /nfs/dbraw/zinc/74/42/22/570744222.db2.gz KALHENQVWYHZML-UHFFFAOYSA-N 1 2 394.254 4.316 50 0 GIAALO Cc1cccn2cc(-c3ccccc3NC(=O)COc3ccccc3F)[nH+]c12 ZINC000206900610 570755088 /nfs/dbraw/zinc/75/50/88/570755088.db2.gz PWDMYMTVIRQBCA-UHFFFAOYSA-N 1 2 375.403 4.466 50 0 GIAALO Cc1oc2c(c1C(=O)N[C@H](C)c1ccco1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000065291980 570784350 /nfs/dbraw/zinc/78/43/50/570784350.db2.gz ZGXJCKHVUCCCIF-CQSZACIVSA-N 1 2 382.435 4.369 50 0 GIAALO Cc1oc2c(c1C(=O)N[C@H](C)c1ccco1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000065291980 570784354 /nfs/dbraw/zinc/78/43/54/570784354.db2.gz ZGXJCKHVUCCCIF-CQSZACIVSA-N 1 2 382.435 4.369 50 0 GIAALO C[C@@H](CNC(=O)CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2)c1ccccc1 ZINC000032752914 570792379 /nfs/dbraw/zinc/79/23/79/570792379.db2.gz KPKSRENTHGCZLY-ZDUSSCGKSA-N 1 2 394.475 4.262 50 0 GIAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCS[C@H](c2cccs2)CC1 ZINC000219463853 570792591 /nfs/dbraw/zinc/79/25/91/570792591.db2.gz JBCRTRMBDLHORC-IBGZPJMESA-N 1 2 383.542 4.313 50 0 GIAALO Cc1ccccc1CCNC(=O)[C@H]1CCCN(c2[nH]c3ccc(Cl)cc3[nH+]2)C1 ZINC000033071596 570803154 /nfs/dbraw/zinc/80/31/54/570803154.db2.gz CAFZMOHSQXGUFG-KRWDZBQOSA-N 1 2 396.922 4.100 50 0 GIAALO Cc1ccc2[nH]c(N3CCC[C@H](C(=O)NCCc4ccc(Cl)cc4)C3)[nH+]c2c1 ZINC000033071982 570803709 /nfs/dbraw/zinc/80/37/09/570803709.db2.gz RUESOJJWSPDJAE-KRWDZBQOSA-N 1 2 396.922 4.100 50 0 GIAALO Cc1ccc2[nH+]c(N3CCC[C@H](C(=O)NCCc4ccc(Cl)cc4)C3)[nH]c2c1 ZINC000033071982 570803711 /nfs/dbraw/zinc/80/37/11/570803711.db2.gz RUESOJJWSPDJAE-KRWDZBQOSA-N 1 2 396.922 4.100 50 0 GIAALO Cc1ccc2[nH]c(N3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)[nH+]c2c1 ZINC000033071974 570803791 /nfs/dbraw/zinc/80/37/91/570803791.db2.gz OLVPDAHJDASAHS-INIZCTEOSA-N 1 2 382.895 4.058 50 0 GIAALO Cc1ccc2[nH+]c(N3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)[nH]c2c1 ZINC000033071974 570803792 /nfs/dbraw/zinc/80/37/92/570803792.db2.gz OLVPDAHJDASAHS-INIZCTEOSA-N 1 2 382.895 4.058 50 0 GIAALO COc1cccc([C@@H](NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c2[nH+]ccn2C)c1 ZINC000012507389 570823227 /nfs/dbraw/zinc/82/32/27/570823227.db2.gz LIYWJNHMVMDBCL-JLTOFOAXSA-N 1 2 395.528 4.134 50 0 GIAALO O=C(c1ccco1)N(CCCn1cc[nH+]c1)c1nc2ccc(Cl)cc2s1 ZINC000007424631 570841789 /nfs/dbraw/zinc/84/17/89/570841789.db2.gz WWCKPBIACWAXHM-UHFFFAOYSA-N 1 2 386.864 4.476 50 0 GIAALO C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012550196 570851882 /nfs/dbraw/zinc/85/18/82/570851882.db2.gz BBAPPTDIKMIGOA-GFCCVEGCSA-N 1 2 396.299 4.219 50 0 GIAALO C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012550965 570854254 /nfs/dbraw/zinc/85/42/54/570854254.db2.gz WHKKILIXYLBAQP-LBPRGKRZSA-N 1 2 396.299 4.219 50 0 GIAALO CN(C)c1nc(Cl)c(C[N@@H+]2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)s1 ZINC000014955946 570866104 /nfs/dbraw/zinc/86/61/04/570866104.db2.gz VLKGCWCQKKAWMC-NSHDSACASA-N 1 2 399.894 4.236 50 0 GIAALO CN(C)c1nc(Cl)c(C[N@H+]2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)s1 ZINC000014955946 570866108 /nfs/dbraw/zinc/86/61/08/570866108.db2.gz VLKGCWCQKKAWMC-NSHDSACASA-N 1 2 399.894 4.236 50 0 GIAALO Cc1cccc(-n2c(SCc3cc[nH+]c(N)c3)nc3ccccc3c2=O)c1C ZINC000170617553 570875070 /nfs/dbraw/zinc/87/50/70/570875070.db2.gz NBMXDVBPYTVYDP-UHFFFAOYSA-N 1 2 388.496 4.272 50 0 GIAALO COc1ccccc1[C@H](NC(=O)c1oc2ccccc2c1C)c1[nH+]ccn1C ZINC000012578062 570876315 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Cc1ccc(-c2onc3ccc(C(=O)N4CCN(c5cccc[nH+]5)CC4)cc32)cc1 ZINC000009528935 204313552 /nfs/dbraw/zinc/31/35/52/204313552.db2.gz OHTQOMQMJSOFFQ-UHFFFAOYSA-N 1 2 398.466 4.161 50 0 GIAALO C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009607952 204317616 /nfs/dbraw/zinc/31/76/16/204317616.db2.gz YXTBFHVPPPBTKK-AWEZNQCLSA-N 1 2 397.862 4.178 50 0 GIAALO Fc1ccc(CC2CC[NH+](Cc3nc(COc4ccccc4)no3)CC2)cc1 ZINC000011662476 204349126 /nfs/dbraw/zinc/34/91/26/204349126.db2.gz PQOKDTJJFHYUPF-UHFFFAOYSA-N 1 2 381.451 4.242 50 0 GIAALO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccoc2)C3)cc1OC ZINC000012053929 204368418 /nfs/dbraw/zinc/36/84/18/204368418.db2.gz XBPMYQWLJBYEPI-UHFFFAOYSA-N 1 2 395.455 4.367 50 0 GIAALO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccoc2)C3)cc1OC ZINC000012053929 204368422 /nfs/dbraw/zinc/36/84/22/204368422.db2.gz XBPMYQWLJBYEPI-UHFFFAOYSA-N 1 2 395.455 4.367 50 0 GIAALO O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000012303030 204390704 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GIAALO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cnc(-c2ccccc2)s1 ZINC000046904407 205107703 /nfs/dbraw/zinc/10/77/03/205107703.db2.gz WPMCFCXEQPMJKT-QGZVFWFLSA-N 1 2 381.501 4.360 50 0 GIAALO COc1c(Cl)cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1Cl ZINC000048265102 205117073 /nfs/dbraw/zinc/11/70/73/205117073.db2.gz QJXWYANYHFQZEL-MRXNPFEDSA-N 1 2 390.270 4.255 50 0 GIAALO Cc1ccc(Oc2ccc(NC(=O)NCCCNc3cccc[nH+]3)cn2)cc1 ZINC000048341506 205119474 /nfs/dbraw/zinc/11/94/74/205119474.db2.gz VBHCGNHVWRTFJC-UHFFFAOYSA-N 1 2 377.448 4.201 50 0 GIAALO O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000048333089 205120184 /nfs/dbraw/zinc/12/01/84/205120184.db2.gz BGXYWDOMMYIUFK-SFHVURJKSA-N 1 2 391.496 4.120 50 0 GIAALO O=C1c2ccccc2C(=O)N1CC[N@H+]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000048333089 205120189 /nfs/dbraw/zinc/12/01/89/205120189.db2.gz BGXYWDOMMYIUFK-SFHVURJKSA-N 1 2 391.496 4.120 50 0 GIAALO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCSc3c(F)cccc32)c1C ZINC000057613695 205158903 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C[N@@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1cccc(F)c1 ZINC000024820307 570394000 /nfs/dbraw/zinc/39/40/00/570394000.db2.gz KWHZPKNWKQYKKT-UHFFFAOYSA-N 1 2 376.229 4.270 50 0 GIAALO Cc1ccc2[nH+]c(COc3ccc(C(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)cn2c1 ZINC000024969082 570400287 /nfs/dbraw/zinc/40/02/87/570400287.db2.gz CMOQMKJNHPFLDF-ROUUACIJSA-N 1 2 377.488 4.340 50 0 GIAALO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000012980586 570403182 /nfs/dbraw/zinc/40/31/82/570403182.db2.gz LPEBTKBBTSHNHO-UHFFFAOYSA-N 1 2 397.784 4.107 50 0 GIAALO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000012980586 570403183 /nfs/dbraw/zinc/40/31/83/570403183.db2.gz LPEBTKBBTSHNHO-UHFFFAOYSA-N 1 2 397.784 4.107 50 0 GIAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3C)no2)c(OC)c1 ZINC000012987184 570407716 /nfs/dbraw/zinc/40/77/16/570407716.db2.gz BSKUVVHVITWJFW-LJQANCHMSA-N 1 2 379.460 4.399 50 0 GIAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3C)no2)c(OC)c1 ZINC000012987184 570407717 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Cc1ccc(-n2ncc3c2nc[nH+]c3N2CCc3ccccc3C2)cc1Cl ZINC000028406066 570459450 /nfs/dbraw/zinc/45/94/50/570459450.db2.gz IEMLZTOFEBJMTG-UHFFFAOYSA-N 1 2 375.863 4.340 50 0 GIAALO COc1ccc([C@@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@@H]2C)OCO4)c(OC)c1 ZINC000031430152 570504656 /nfs/dbraw/zinc/50/46/56/570504656.db2.gz CWGZLDXNHSPGLY-AUDZJJNUSA-N 1 2 397.471 4.015 50 0 GIAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(C)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000022853955 570557103 /nfs/dbraw/zinc/55/71/03/570557103.db2.gz AHCGVMQAMMKOBS-RVKKMQEKSA-N 1 2 384.549 4.435 50 0 GIAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(C)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000022853955 570557106 /nfs/dbraw/zinc/55/71/06/570557106.db2.gz AHCGVMQAMMKOBS-RVKKMQEKSA-N 1 2 384.549 4.435 50 0 GIAALO CCOc1ccc(C(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022906994 570563482 /nfs/dbraw/zinc/56/34/82/570563482.db2.gz WWPNSDLBHVTVIS-QFIPXVFZSA-N 1 2 390.483 4.208 50 0 GIAALO CCOc1ccc(C(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022906994 570563484 /nfs/dbraw/zinc/56/34/84/570563484.db2.gz WWPNSDLBHVTVIS-QFIPXVFZSA-N 1 2 390.483 4.208 50 0 GIAALO CSc1cccc(NC(=O)C2CCN(c3[nH+]cccc3-n3cccc3)CC2)c1 ZINC000033034592 570671182 /nfs/dbraw/zinc/67/11/82/570671182.db2.gz DEDIHRSMPMMNSZ-UHFFFAOYSA-N 1 2 392.528 4.449 50 0 GIAALO C[N@H+](Cc1nnc2cc(-c3nc(-c4ccccc4)no3)ccn21)Cc1ccccc1 ZINC000169777103 570685846 /nfs/dbraw/zinc/68/58/46/570685846.db2.gz QRIOHFAVFPWQFY-UHFFFAOYSA-N 1 2 396.454 4.078 50 0 GIAALO C[N@@H+](Cc1nnc2cc(-c3nc(-c4ccccc4)no3)ccn21)Cc1ccccc1 ZINC000169777103 570685851 /nfs/dbraw/zinc/68/58/51/570685851.db2.gz QRIOHFAVFPWQFY-UHFFFAOYSA-N 1 2 396.454 4.078 50 0 GIAALO O=C(c1ccccc1)N(Cc1cccs1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000012972073 570733513 /nfs/dbraw/zinc/73/35/13/570733513.db2.gz UBYWIMLZYBCANY-UHFFFAOYSA-N 1 2 392.524 4.427 50 0 GIAALO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(Cl)c1 ZINC000012985350 570737102 /nfs/dbraw/zinc/73/71/02/570737102.db2.gz RKPIWDYRBZUZNJ-QGZVFWFLSA-N 1 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570797421 /nfs/dbraw/zinc/79/74/21/570797421.db2.gz SLNVVXUUIPTHDD-CYBMUJFWSA-N 1 2 382.323 4.046 50 0 GIAALO Cc1ccc2[nH]c(N3CCC(C(=O)NC[C@H](C)c4ccccc4)CC3)[nH+]c2c1 ZINC000033070759 570802290 /nfs/dbraw/zinc/80/22/90/570802290.db2.gz OJDXRBAFGQNPTO-KRWDZBQOSA-N 1 2 376.504 4.008 50 0 GIAALO Cc1ccc2[nH+]c(N3CCC(C(=O)NC[C@H](C)c4ccccc4)CC3)[nH]c2c1 ZINC000033070759 570802293 /nfs/dbraw/zinc/80/22/93/570802293.db2.gz OJDXRBAFGQNPTO-KRWDZBQOSA-N 1 2 376.504 4.008 50 0 GIAALO O=C([C@@H]([NH2+][C@H](c1cccs1)c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000014141756 570825422 /nfs/dbraw/zinc/82/54/22/570825422.db2.gz UFQPPOOHNTXODH-VXKWHMMOSA-N 1 2 392.524 4.027 50 0 GIAALO Cc1noc(C)c1COc1ccc(C(=O)OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000012535864 570836405 /nfs/dbraw/zinc/83/64/05/570836405.db2.gz LVOUOMRSBRRPHG-UHFFFAOYSA-N 1 2 391.427 4.184 50 0 GIAALO COc1cccc(C[N@H+](C)[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)c1 ZINC000032850931 570853998 /nfs/dbraw/zinc/85/39/98/570853998.db2.gz MKLCVBXJVJZXLE-ZDUSSCGKSA-N 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376.938 4.207 50 0 GIAALO C[N@H+]1CCc2c(sc3nc(SCc4ccccc4Cl)nc(N)c23)C1 ZINC000020290850 570251876 /nfs/dbraw/zinc/25/18/76/570251876.db2.gz JCHXSFXSQUWQCJ-UHFFFAOYSA-N 1 2 376.938 4.207 50 0 GIAALO O=C(Nc1cccc2ccc(-n3cc[nH+]c3)nc21)C1(c2ccccc2)CCOCC1 ZINC000049028088 570260056 /nfs/dbraw/zinc/26/00/56/570260056.db2.gz DGTAGKSFCREKKQ-UHFFFAOYSA-N 1 2 398.466 4.107 50 0 GIAALO Cc1nc2cc(F)ccc2cc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012852251 570266561 /nfs/dbraw/zinc/26/65/61/570266561.db2.gz ZASSMXYBHRDTKV-UHFFFAOYSA-N 1 2 397.881 4.294 50 0 GIAALO O=c1[nH]c(=S)n(Cc2ccccc2Cl)c2c1C[N@H+](C1CCCCC1)CN2 ZINC000020546416 570266995 /nfs/dbraw/zinc/26/69/95/570266995.db2.gz JFDJZZLIOBCDDV-UHFFFAOYSA-N 1 2 390.940 4.125 50 0 GIAALO O=c1[nH]c(=S)n(Cc2ccccc2Cl)c2c1C[N@@H+](C1CCCCC1)CN2 ZINC000020546416 570266996 /nfs/dbraw/zinc/26/69/96/570266996.db2.gz JFDJZZLIOBCDDV-UHFFFAOYSA-N 1 2 390.940 4.125 50 0 GIAALO O=c1nc(C[N@@H+]2CCc3ccccc3C2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000022090104 570305782 /nfs/dbraw/zinc/30/57/82/570305782.db2.gz JNCAAELLCPBHNB-UHFFFAOYSA-N 1 2 391.471 4.349 50 0 GIAALO O=c1nc(C[N@H+]2CCc3ccccc3C2)[nH]c2scc(-c3ccc(F)cc3)c21 ZINC000022090104 570305784 /nfs/dbraw/zinc/30/57/84/570305784.db2.gz JNCAAELLCPBHNB-UHFFFAOYSA-N 1 2 391.471 4.349 50 0 GIAALO CC(C)C[C@@H](C(=O)NCCCCCc1[nH+]c2ccccc2n1C)n1cccc1 ZINC000575443226 570314276 /nfs/dbraw/zinc/31/42/76/570314276.db2.gz GNBYYBFFUNHMIB-NRFANRHFSA-N 1 2 380.536 4.491 50 0 GIAALO Cc1ccc(CNC(=O)c2cccc(OCc3cn4cc(C)ccc4[nH+]3)c2)cc1 ZINC000022374675 570314693 /nfs/dbraw/zinc/31/46/93/570314693.db2.gz FGKKNPPEWZZZIP-UHFFFAOYSA-N 1 2 385.467 4.460 50 0 GIAALO C[C@@H](c1nnc(-c2cccs2)o1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000022802878 570329081 /nfs/dbraw/zinc/32/90/81/570329081.db2.gz JERKUICKJMJVKB-AWEZNQCLSA-N 1 2 388.924 4.330 50 0 GIAALO COCCN1CC[NH+]([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000022862213 570332103 /nfs/dbraw/zinc/33/21/03/570332103.db2.gz RWVNNNIJTFVKHA-IBGZPJMESA-N 1 2 388.964 4.352 50 0 GIAALO CC(C)NC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2CC2CCCCC2)C1 ZINC000034906536 570339075 /nfs/dbraw/zinc/33/90/75/570339075.db2.gz KTFSJVAJCLZABU-IBGZPJMESA-N 1 2 382.552 4.358 50 0 GIAALO O=C(Cc1ccccc1)N[C@@H]1CCN(c2[nH+]c3ccccc3n2C2CCCC2)C1 ZINC000034907184 570339484 /nfs/dbraw/zinc/33/94/84/570339484.db2.gz ASJWTULBIQDXKW-LJQANCHMSA-N 1 2 388.515 4.089 50 0 GIAALO O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000034853503 570341211 /nfs/dbraw/zinc/34/12/11/570341211.db2.gz XDFCOXXXXOAMOS-JOCHJYFZSA-N 1 2 397.950 4.262 50 0 GIAALO COc1cccc([C@H](NC(=O)/C=C/c2c(F)cccc2Cl)c2[nH+]ccn2C)c1 ZINC000024019391 570342234 /nfs/dbraw/zinc/34/22/34/570342234.db2.gz BNIMSYVTOUZXLX-XTXLJPNXSA-N 1 2 399.853 4.140 50 0 GIAALO O=C([C@@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCCC2)C1)N1CCCC1 ZINC000034900821 570343641 /nfs/dbraw/zinc/34/36/41/570343641.db2.gz LCECQOLJIGJGPW-GOSISDBHSA-N 1 2 380.536 4.380 50 0 GIAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)c1 ZINC000023466516 570363173 /nfs/dbraw/zinc/36/31/73/570363173.db2.gz AQTJVJYNMBXKFU-SFHVURJKSA-N 1 2 399.878 4.343 50 0 GIAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc3cc(Cl)ccc3c(=O)[nH]2)c1 ZINC000023466516 570363175 /nfs/dbraw/zinc/36/31/75/570363175.db2.gz AQTJVJYNMBXKFU-SFHVURJKSA-N 1 2 399.878 4.343 50 0 GIAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)c2ccc(OC3CCCC3)nc2)C1 ZINC000575618917 570365013 /nfs/dbraw/zinc/36/50/13/570365013.db2.gz XJWFYOWYWPNJEP-GOSISDBHSA-N 1 2 390.487 4.148 50 0 GIAALO C[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575619725 570368346 /nfs/dbraw/zinc/36/83/46/570368346.db2.gz KTGHONYLQNSZHT-HNNXBMFYSA-N 1 2 379.435 4.432 50 0 GIAALO CC[C@@H](O)c1cc2n(n1)CCCN(c1cc(C)c3cc(SC)ccc3[nH+]1)C2 ZINC000219575606 570369382 /nfs/dbraw/zinc/36/93/82/570369382.db2.gz NSIHSCCPJDXUFZ-HXUWFJFHSA-N 1 2 382.533 4.315 50 0 GIAALO Cc1ccccc1Nc1nc(N)nc(C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000023731625 570370465 /nfs/dbraw/zinc/37/04/65/570370465.db2.gz FUBZKKKILZQACK-UHFFFAOYSA-N 1 2 390.535 4.435 50 0 GIAALO Cc1ccccc1Nc1nc(N)nc(C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000023731625 570370468 /nfs/dbraw/zinc/37/04/68/570370468.db2.gz FUBZKKKILZQACK-UHFFFAOYSA-N 1 2 390.535 4.435 50 0 GIAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000102466033 570375680 /nfs/dbraw/zinc/37/56/80/570375680.db2.gz BUOLYRKSJWPCKR-VFNWGFHPSA-N 1 2 396.487 4.071 50 0 GIAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000102466033 570375683 /nfs/dbraw/zinc/37/56/83/570375683.db2.gz BUOLYRKSJWPCKR-VFNWGFHPSA-N 1 2 396.487 4.071 50 0 GIAALO COCCn1c(SCc2cn3cc(Cl)ccc3[nH+]2)nnc1-c1ccccc1 ZINC000012352853 570377200 /nfs/dbraw/zinc/37/72/00/570377200.db2.gz DXCPHRIOYLREJG-UHFFFAOYSA-N 1 2 399.907 4.185 50 0 GIAALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000024633436 570388493 /nfs/dbraw/zinc/38/84/93/570388493.db2.gz CAMQNFDDQUFWAN-UHFFFAOYSA-N 1 2 386.495 4.116 50 0 GIAALO Cc1ccc2[nH+]c(COc3ccc(C(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)cn2c1 ZINC000024969071 570400356 /nfs/dbraw/zinc/40/03/56/570400356.db2.gz CMOQMKJNHPFLDF-QZTJIDSGSA-N 1 2 377.488 4.340 50 0 GIAALO C[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000024988244 570402022 /nfs/dbraw/zinc/40/20/22/570402022.db2.gz XXJSGQYFSHJOFB-CQSZACIVSA-N 1 2 399.343 4.061 50 0 GIAALO O=C(N[C@H](Nc1cccc[nH+]1)C(Cl)(Cl)Cl)c1ccccc1Cl ZINC000025325802 570411093 /nfs/dbraw/zinc/41/10/93/570411093.db2.gz QFWLABVFXFTMLZ-ZDUSSCGKSA-N 1 2 379.074 4.273 50 0 GIAALO CCOC(=O)c1ccc2[nH+]c(C)c3c(c2c1)O[C@@H]([C@](C)(Cl)Br)C3 ZINC000001211874 570452760 /nfs/dbraw/zinc/45/27/60/570452760.db2.gz DAXNGEUIXDPMPH-PBHICJAKSA-N 1 2 398.684 4.373 50 0 GIAALO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000029021988 570467398 /nfs/dbraw/zinc/46/73/98/570467398.db2.gz GVRIHBFZZZSEPH-QGZVFWFLSA-N 1 2 384.439 4.340 50 0 GIAALO CCCCCN1c2ccccc2[C@]2([NH2+]CCc3c4cc(OC)ccc4[nH]c32)C1=O ZINC000020064233 570469080 /nfs/dbraw/zinc/46/90/80/570469080.db2.gz TYLIFPHHZDRTNX-XMMPIXPASA-N 1 2 389.499 4.103 50 0 GIAALO C[C@@H](CCc1ccccc1)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000029319924 570471652 /nfs/dbraw/zinc/47/16/52/570471652.db2.gz LANYCHHSTHNTHR-OXJNMPFZSA-N 1 2 396.922 4.483 50 0 GIAALO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030030514 570485647 /nfs/dbraw/zinc/48/56/47/570485647.db2.gz AYNNPJPETARWKE-QGZVFWFLSA-N 1 2 399.560 4.170 50 0 GIAALO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030030514 570485649 /nfs/dbraw/zinc/48/56/49/570485649.db2.gz AYNNPJPETARWKE-QGZVFWFLSA-N 1 2 399.560 4.170 50 0 GIAALO Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000030537550 570490828 /nfs/dbraw/zinc/49/08/28/570490828.db2.gz QVXVHNUKQUBMHN-LJQANCHMSA-N 1 2 393.314 4.105 50 0 GIAALO Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000030537553 570490983 /nfs/dbraw/zinc/49/09/83/570490983.db2.gz QVXVHNUKQUBMHN-IBGZPJMESA-N 1 2 393.314 4.105 50 0 GIAALO COc1cc(C[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)cc(Cl)c1OC ZINC000030644653 570492815 /nfs/dbraw/zinc/49/28/15/570492815.db2.gz SJRIBEMZWRJUQZ-GOSISDBHSA-N 1 2 389.858 4.109 50 0 GIAALO Cc1cc(C(=O)C[N@H+]2CC=C(c3ccccc3)CC2)c(C)n1C[C@H]1CCCO1 ZINC000089575711 570494728 /nfs/dbraw/zinc/49/47/28/570494728.db2.gz IVMDOPAEACTLBG-JOCHJYFZSA-N 1 2 378.516 4.256 50 0 GIAALO Cc1cc(C(=O)C[N@@H+]2CC=C(c3ccccc3)CC2)c(C)n1C[C@H]1CCCO1 ZINC000089575711 570494732 /nfs/dbraw/zinc/49/47/32/570494732.db2.gz IVMDOPAEACTLBG-JOCHJYFZSA-N 1 2 378.516 4.256 50 0 GIAALO CC(C)(C)[C@H]1CCc2c(C(=O)N3CCN(c4cccc[nH+]4)CC3)csc2C1 ZINC000002755010 570513841 /nfs/dbraw/zinc/51/38/41/570513841.db2.gz VCABCBFOILBXEH-INIZCTEOSA-N 1 2 383.561 4.257 50 0 GIAALO Cn1c(CCc2ccc(NC(=O)COc3ccccc3)cc2)[nH+]c2ccccc21 ZINC000032960892 570531590 /nfs/dbraw/zinc/53/15/90/570531590.db2.gz DCTBSIOKRYXYOO-UHFFFAOYSA-N 1 2 385.467 4.376 50 0 GIAALO CCCNC(=O)N(Cc1[nH+]ccn1Cc1cccc(C(F)(F)F)c1)CC1CC1 ZINC000006723878 570552525 /nfs/dbraw/zinc/55/25/25/570552525.db2.gz RQJWJTBORYEMRY-UHFFFAOYSA-N 1 2 394.441 4.282 50 0 GIAALO Cc1ccc2c(C[NH+]3CCN(C/C=C/c4ccccc4)CC3)cc(=O)oc2c1C ZINC000019371169 570596634 /nfs/dbraw/zinc/59/66/34/570596634.db2.gz IKTNUUFNNFYTJG-RMKNXTFCSA-N 1 2 388.511 4.241 50 0 GIAALO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(-c2ccc(F)cc2)c1 ZINC000012434094 570661736 /nfs/dbraw/zinc/66/17/36/570661736.db2.gz DVFRSRQXWMFHGE-OAQYLSRUSA-N 1 2 378.451 4.127 50 0 GIAALO Cc1nc[nH]c1C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(-c2ccc(F)cc2)c1 ZINC000012434094 570661737 /nfs/dbraw/zinc/66/17/37/570661737.db2.gz DVFRSRQXWMFHGE-OAQYLSRUSA-N 1 2 378.451 4.127 50 0 GIAALO Cc1oc(-c2ccc(F)cc2F)nc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000055119701 570684036 /nfs/dbraw/zinc/68/40/36/570684036.db2.gz XUWYLAQONRXZSH-UHFFFAOYSA-N 1 2 387.405 4.390 50 0 GIAALO Cc1ccc(OC[C@H]2CCC[N@H+](Cc3nc(CCc4ccccc4)no3)C2)cc1 ZINC000012582411 570684622 /nfs/dbraw/zinc/68/46/22/570684622.db2.gz APMCLBPOMLXIJW-NRFANRHFSA-N 1 2 391.515 4.454 50 0 GIAALO Cc1ccc(OC[C@H]2CCC[N@@H+](Cc3nc(CCc4ccccc4)no3)C2)cc1 ZINC000012582411 570684625 /nfs/dbraw/zinc/68/46/25/570684625.db2.gz APMCLBPOMLXIJW-NRFANRHFSA-N 1 2 391.515 4.454 50 0 GIAALO COc1ccccc1-n1c[nH+]c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21 ZINC000000972653 570740834 /nfs/dbraw/zinc/74/08/34/570740834.db2.gz VDOHIQVXNJXKRS-UHFFFAOYSA-N 1 2 393.468 4.143 50 0 GIAALO Cn1cc[nH+]c1[C@@H](NC(=O)CC1(Cn2cccc2)CCCCC1)c1ccccc1 ZINC000524732617 570769946 /nfs/dbraw/zinc/76/99/46/570769946.db2.gz RKDBOKAQKXWUTF-QFIPXVFZSA-N 1 2 390.531 4.468 50 0 GIAALO CCCC(=O)N(CCC[NH+]1CCOCC1)c1nc2c(s1)c(Cl)ccc2C ZINC000022997910 570775292 /nfs/dbraw/zinc/77/52/92/570775292.db2.gz QVQCRBQZJKKCRP-UHFFFAOYSA-N 1 2 395.956 4.114 50 0 GIAALO Cc1[nH]c2cc(C)ccc2c1C(=O)C[N@@H+]1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000013810837 570791147 /nfs/dbraw/zinc/79/11/47/570791147.db2.gz XEDKFRHHNXUWGV-GOSISDBHSA-N 1 2 375.516 4.487 50 0 GIAALO Cc1[nH]c2cc(C)ccc2c1C(=O)C[N@H+]1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000013810837 570791150 /nfs/dbraw/zinc/79/11/50/570791150.db2.gz XEDKFRHHNXUWGV-GOSISDBHSA-N 1 2 375.516 4.487 50 0 GIAALO Cc1ccc2[nH]c(N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)[nH+]c2c1 ZINC000033070741 570802315 /nfs/dbraw/zinc/80/23/15/570802315.db2.gz KRGFYCDXJRCWGU-UHFFFAOYSA-N 1 2 382.895 4.058 50 0 GIAALO Cc1ccc2[nH+]c(N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)[nH]c2c1 ZINC000033070741 570802317 /nfs/dbraw/zinc/80/23/17/570802317.db2.gz KRGFYCDXJRCWGU-UHFFFAOYSA-N 1 2 382.895 4.058 50 0 GIAALO Cc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)[nH+]c2c1 ZINC000033071972 570803772 /nfs/dbraw/zinc/80/37/72/570803772.db2.gz OLVPDAHJDASAHS-MRXNPFEDSA-N 1 2 382.895 4.058 50 0 GIAALO Cc1ccc2[nH+]c(N3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)[nH]c2c1 ZINC000033071972 570803774 /nfs/dbraw/zinc/80/37/74/570803774.db2.gz OLVPDAHJDASAHS-MRXNPFEDSA-N 1 2 382.895 4.058 50 0 GIAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1cccc(F)c1 ZINC000018235957 570811960 /nfs/dbraw/zinc/81/19/60/570811960.db2.gz ANIDRRCHLJUPDK-MRXNPFEDSA-N 1 2 378.234 4.385 50 0 GIAALO Cc1ccc2c(CC(=O)N[C@H](c3[nH+]ccn3C)c3cccc(F)c3)coc2c1C ZINC000018236358 570811972 /nfs/dbraw/zinc/81/19/72/570811972.db2.gz UNPGAPFRJMHDSK-NRFANRHFSA-N 1 2 391.446 4.371 50 0 GIAALO CCn1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)c2ccccc21 ZINC000012535485 570835762 /nfs/dbraw/zinc/83/57/62/570835762.db2.gz BUJRMWMWAPOFIO-HXUWFJFHSA-N 1 2 376.435 4.053 50 0 GIAALO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(Br)s2)cc1F ZINC000015109203 570881652 /nfs/dbraw/zinc/88/16/52/570881652.db2.gz BEGUFDUIYGLWIT-LLVKDONJSA-N 1 2 385.302 4.417 50 0 GIAALO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(Br)s2)cc1F ZINC000015109203 570881656 /nfs/dbraw/zinc/88/16/56/570881656.db2.gz BEGUFDUIYGLWIT-LLVKDONJSA-N 1 2 385.302 4.417 50 0 GIAALO CC[N@@H+](Cc1ccccc1OC(F)F)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000032825199 570839311 /nfs/dbraw/zinc/83/93/11/570839311.db2.gz SCMVUMYMFRCZNG-UHFFFAOYSA-N 1 2 393.821 4.200 50 0 GIAALO CC[N@H+](Cc1ccccc1OC(F)F)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000032825199 570839313 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GIAALO CC(C)[N@H+](Cc1nc(C(=O)NCc2ccc(F)cc2)co1)Cc1ccc(F)cc1 ZINC000036082973 205004370 /nfs/dbraw/zinc/00/43/70/205004370.db2.gz QCWSMFRWMKVWLP-UHFFFAOYSA-N 1 2 399.441 4.293 50 0 GIAALO CC(C)[N@@H+](Cc1nc(C(=O)NCc2ccc(F)cc2)co1)Cc1ccc(F)cc1 ZINC000036082973 205004373 /nfs/dbraw/zinc/00/43/73/205004373.db2.gz QCWSMFRWMKVWLP-UHFFFAOYSA-N 1 2 399.441 4.293 50 0 GIAALO Cc1cccc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c1 ZINC000036311488 205010872 /nfs/dbraw/zinc/01/08/72/205010872.db2.gz MUYSNWYSIJKMLF-JOCHJYFZSA-N 1 2 399.579 4.073 50 0 GIAALO O=C(C[N@@H+]1CCc2ccccc2C1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000036437844 205017800 /nfs/dbraw/zinc/01/78/00/205017800.db2.gz HOJDCQRMQZIVGS-LJQANCHMSA-N 1 2 391.496 4.077 50 0 GIAALO O=C(C[N@H+]1CCc2ccccc2C1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000036437844 205017802 /nfs/dbraw/zinc/01/78/02/205017802.db2.gz HOJDCQRMQZIVGS-LJQANCHMSA-N 1 2 391.496 4.077 50 0 GIAALO O=C(Nc1ccccc1SC1CCCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000040104985 205052319 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COc1cc(-c2nc(C[N@H+](C)Cc3ccc4nsnc4c3)c(C)o2)ccc1F ZINC000055090980 205140662 /nfs/dbraw/zinc/14/06/62/205140662.db2.gz CMDLORRGUFMVHU-UHFFFAOYSA-N 1 2 398.463 4.434 50 0 GIAALO COc1cc(-c2nc(C[N@@H+](C)Cc3ccc4nsnc4c3)c(C)o2)ccc1F ZINC000055090980 205140665 /nfs/dbraw/zinc/14/06/65/205140665.db2.gz CMDLORRGUFMVHU-UHFFFAOYSA-N 1 2 398.463 4.434 50 0 GIAALO COc1ccc(-c2nc(C[N@H+](C)C[C@H]3COc4ccccc4O3)c(C)o2)cc1C ZINC000055099252 205143936 /nfs/dbraw/zinc/14/39/36/205143936.db2.gz FPCAMIRSEFHTQW-SFHVURJKSA-N 1 2 394.471 4.239 50 0 GIAALO COc1ccc(-c2nc(C[N@@H+](C)C[C@H]3COc4ccccc4O3)c(C)o2)cc1C ZINC000055099252 205143938 /nfs/dbraw/zinc/14/39/38/205143938.db2.gz FPCAMIRSEFHTQW-SFHVURJKSA-N 1 2 394.471 4.239 50 0 GIAALO COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)C[N@H+](C1CCCCCCC1)CO3 ZINC000057143201 205154633 /nfs/dbraw/zinc/15/46/33/205154633.db2.gz SSJRGSBMGPJEDC-UHFFFAOYSA-N 1 2 399.487 4.082 50 0 GIAALO COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)C[N@@H+](C1CCCCCCC1)CO3 ZINC000057143201 205154637 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FC(F)(F)c1ccnc(Oc2ccc(C[NH+]3CCOCC3)c3cccnc23)c1 ZINC000067459037 205248821 /nfs/dbraw/zinc/24/88/21/205248821.db2.gz IYWQUBKWRXOGJP-UHFFFAOYSA-N 1 2 389.377 4.273 50 0 GIAALO Cc1[nH]c[nH+]c1-c1c(-c2ccccc2)ncn1Cc1cnn(-c2ccccc2)c1 ZINC000067725148 205256950 /nfs/dbraw/zinc/25/69/50/205256950.db2.gz JAWSLLOBPOOYAY-UHFFFAOYSA-N 1 2 380.455 4.483 50 0 GIAALO COc1cc[nH+]c(CN2CCOc3c(O)cc(-c4ccc(C)s4)cc3C2)c1 ZINC000067787980 205260177 /nfs/dbraw/zinc/26/01/77/205260177.db2.gz ZHHDZZRQQVHNFF-UHFFFAOYSA-N 1 2 382.485 4.227 50 0 GIAALO c1cc(-c2c(-c3ccccc3)ncn2CCc2c[nH]c[nH+]2)n(-c2ccccn2)c1 ZINC000067934981 205268469 /nfs/dbraw/zinc/26/84/69/205268469.db2.gz SHPDBUYLCGOBDG-UHFFFAOYSA-N 1 2 380.455 4.369 50 0 GIAALO c1cc(-c2c(-c3ccccc3)ncn2CCc2c[nH+]c[nH]2)n(-c2ccccn2)c1 ZINC000067934981 205268474 /nfs/dbraw/zinc/26/84/74/205268474.db2.gz SHPDBUYLCGOBDG-UHFFFAOYSA-N 1 2 380.455 4.369 50 0 GIAALO COc1cc[nH+]c(CN2CCOc3c(O)cc(-c4ccccc4C)cc3C2)c1 ZINC000067921826 205268637 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386.455 4.294 50 0 GIAALO Cc1cccc2cc(C[N@@H+]3CCNC(=O)[C@@H]3C)c(-c3cccc(Cl)c3)nc12 ZINC000072423928 205349695 /nfs/dbraw/zinc/34/96/95/205349695.db2.gz BTRHXOMNTJWBQR-HNNXBMFYSA-N 1 2 379.891 4.184 50 0 GIAALO Cc1cccc2cc(C[N@H+]3CCNC(=O)[C@@H]3C)c(-c3cccc(Cl)c3)nc12 ZINC000072423928 205349700 /nfs/dbraw/zinc/34/97/00/205349700.db2.gz BTRHXOMNTJWBQR-HNNXBMFYSA-N 1 2 379.891 4.184 50 0 GIAALO c1[nH+]cn(C2CCCCC2)c1CN1CCC[C@@H]1c1nc(-c2ccccn2)no1 ZINC000077534742 205365357 /nfs/dbraw/zinc/36/53/57/205365357.db2.gz WXTHPXYBODLVGL-LJQANCHMSA-N 1 2 378.480 4.170 50 0 GIAALO COc1cc2nc(N[C@H](C)c3cccc(C(F)(F)F)c3)[nH+]c(N)c2cc1OC ZINC000078874065 205375345 /nfs/dbraw/zinc/37/53/45/205375345.db2.gz GJBLYTPSTBMCSE-SNVBAGLBSA-N 1 2 392.381 4.421 50 0 GIAALO CCOc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1F ZINC000079110593 205383074 /nfs/dbraw/zinc/38/30/74/205383074.db2.gz QZAOMSCXYYMEKP-FPOVZHCZSA-N 1 2 394.450 4.471 50 0 GIAALO O=C(c1c(O)ccc2ccccc21)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082121207 205387144 /nfs/dbraw/zinc/38/71/44/205387144.db2.gz CIOFAHRHZVXQNB-GOSISDBHSA-N 1 2 375.472 4.172 50 0 GIAALO CC(C)(C)c1ccc(OCc2ccc(C(=O)NCCCn3cc[nH+]c3)o2)cc1 ZINC000027985279 206025634 /nfs/dbraw/zinc/02/56/34/206025634.db2.gz KIQFVLYTYWBQKW-UHFFFAOYSA-N 1 2 381.476 4.173 50 0 GIAALO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000225523548 206054661 /nfs/dbraw/zinc/05/46/61/206054661.db2.gz GKKQNYZPJIFKJX-UHFFFAOYSA-N 1 2 398.526 4.228 50 0 GIAALO CC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](Cc3csc4ccccc34)CC2)c1C ZINC000032757046 206094270 /nfs/dbraw/zinc/09/42/70/206094270.db2.gz QZCLFIPWHYVZRI-UHFFFAOYSA-N 1 2 395.528 4.007 50 0 GIAALO C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1c[nH+]c2ccccn12)c1ccccc1 ZINC000096102998 206115325 /nfs/dbraw/zinc/11/53/25/206115325.db2.gz YPTISWKMMPLDKR-UZUQRXQVSA-N 1 2 399.450 4.096 50 0 GIAALO CC(C)Cc1[nH+]c2ccccc2n1[C@H](C)C(=O)N(C)Cc1cc(C2CC2)on1 ZINC000252495847 206140537 /nfs/dbraw/zinc/14/05/37/206140537.db2.gz PCTVAASKDBLUJS-OAHLLOKOSA-N 1 2 380.492 4.320 50 0 GIAALO COc1ccc([C@@H]2C[C@@H](C)[N@@H+]([C@H](C)c3ncc(Br)cn3)C2)cc1 ZINC000241926435 206128093 /nfs/dbraw/zinc/12/80/93/206128093.db2.gz UGEDXQCAURLROA-UMVBOHGHSA-N 1 2 376.298 4.187 50 0 GIAALO COc1ccc([C@@H]2C[C@@H](C)[N@H+]([C@H](C)c3ncc(Br)cn3)C2)cc1 ZINC000241926435 206128096 /nfs/dbraw/zinc/12/80/96/206128096.db2.gz UGEDXQCAURLROA-UMVBOHGHSA-N 1 2 376.298 4.187 50 0 GIAALO Cc1noc(C2CC[NH+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)CC2)n1 ZINC000054678953 206209780 /nfs/dbraw/zinc/20/97/80/206209780.db2.gz JJTSIGBWRXBVTQ-FQEVSTJZSA-N 1 2 394.450 4.077 50 0 GIAALO COc1ccccc1N1CC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@H](C)C1 ZINC000039394601 132391233 /nfs/dbraw/zinc/39/12/33/132391233.db2.gz WQDYPHKXONTAAX-OAHLLOKOSA-N 1 2 398.894 4.109 50 0 GIAALO COc1ccccc1N1CC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)[C@H](C)C1 ZINC000039394601 132391236 /nfs/dbraw/zinc/39/12/36/132391236.db2.gz WQDYPHKXONTAAX-OAHLLOKOSA-N 1 2 398.894 4.109 50 0 GIAALO C[C@H](NC(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2o1 ZINC000057688433 136153899 /nfs/dbraw/zinc/15/38/99/136153899.db2.gz SPLXEYVSOONRGK-INIZCTEOSA-N 1 2 397.906 4.086 50 0 GIAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)c1 ZINC000058022685 136154316 /nfs/dbraw/zinc/15/43/16/136154316.db2.gz PAXIBTPXDABVGB-UHFFFAOYSA-N 1 2 388.393 4.078 50 0 GIAALO CC[C@H](C)NC(=O)c1ccc2cc[nH+]c(N3CCN(c4ccccc4)CC3)c2c1 ZINC000064667898 136157482 /nfs/dbraw/zinc/15/74/82/136157482.db2.gz VIXMCFHGVFOONN-SFHVURJKSA-N 1 2 388.515 4.090 50 0 GIAALO Cc1oc(-c2ccccc2Cl)nc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000072423482 136169791 /nfs/dbraw/zinc/16/97/91/136169791.db2.gz OVOOGHVVGDCRFO-UHFFFAOYSA-N 1 2 383.879 4.331 50 0 GIAALO CCCN(CCC)c1cc(C)nc2c(-c3c[nH+]c(N(C)C)cc3C)c(C)nn21 ZINC000000602283 560178461 /nfs/dbraw/zinc/17/84/61/560178461.db2.gz ANNRUWYFVIGKHA-UHFFFAOYSA-N 1 2 380.540 4.409 50 0 in-vitro GIAALO C[NH+]1CCN(C(=S)SC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000035073483 570227519 /nfs/dbraw/zinc/22/75/19/570227519.db2.gz KJLJJLMQSHIWNG-UHFFFAOYSA-N 1 2 378.513 4.320 50 0 GIAALO COC(=O)[C@@H]1[NH2+][C@H](c2ccccc2)[C@@H](C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000019923673 570229746 /nfs/dbraw/zinc/22/97/46/570229746.db2.gz ZLTWMIIWDSCMMT-UEQSERJNSA-N 1 2 399.490 4.464 50 0 GIAALO CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000020028305 570235956 /nfs/dbraw/zinc/23/59/56/570235956.db2.gz YQERBOXQFUDIAV-GOSISDBHSA-N 1 2 382.504 4.050 50 0 GIAALO O=C(c1cccs1)N1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000020169579 570246140 /nfs/dbraw/zinc/24/61/40/570246140.db2.gz NGKPUXVYYXFBNL-UHFFFAOYSA-N 1 2 378.497 4.498 50 0 GIAALO CC(C)COc1ccc(-c2nc3c4c5c(sc4ncn3n2)C[N@H+](C)CC5)cc1 ZINC000020548258 570267407 /nfs/dbraw/zinc/26/74/07/570267407.db2.gz IYBJQJGSUIYYPO-UHFFFAOYSA-N 1 2 393.516 4.029 50 0 GIAALO CC(C)COc1ccc(-c2nc3c4c5c(sc4ncn3n2)C[N@@H+](C)CC5)cc1 ZINC000020548258 570267410 /nfs/dbraw/zinc/26/74/10/570267410.db2.gz IYBJQJGSUIYYPO-UHFFFAOYSA-N 1 2 393.516 4.029 50 0 GIAALO CC(C)c1noc(C[NH+]2CCC3(C[C@@H]3c3nnc(-c4ccccc4)o3)CC2)n1 ZINC000071889697 570270988 /nfs/dbraw/zinc/27/09/88/570270988.db2.gz XJYGZSFOGANCSG-MRXNPFEDSA-N 1 2 379.464 4.013 50 0 GIAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc(F)cc3)no2)c1 ZINC000012871430 570273306 /nfs/dbraw/zinc/27/33/06/570273306.db2.gz IOHVVYJJQSROFF-GOSISDBHSA-N 1 2 383.423 4.230 50 0 GIAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nc(-c3ccc(F)cc3)no2)c1 ZINC000012871430 570273307 /nfs/dbraw/zinc/27/33/07/570273307.db2.gz IOHVVYJJQSROFF-GOSISDBHSA-N 1 2 383.423 4.230 50 0 GIAALO c1cc([C@H]2CCCCO2)sc1C[N@@H+]1CCc2nc(-c3cccnc3)[nH]c2C1 ZINC000215901909 570293243 /nfs/dbraw/zinc/29/32/43/570293243.db2.gz OVGVJMVSJLAGHC-LJQANCHMSA-N 1 2 380.517 4.333 50 0 GIAALO c1cc([C@H]2CCCCO2)sc1C[N@H+]1CCc2nc(-c3cccnc3)[nH]c2C1 ZINC000215901909 570293244 /nfs/dbraw/zinc/29/32/44/570293244.db2.gz OVGVJMVSJLAGHC-LJQANCHMSA-N 1 2 380.517 4.333 50 0 GIAALO Cc1cc2occ(CC(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c2cc1C(C)C ZINC000023607038 570327685 /nfs/dbraw/zinc/32/76/85/570327685.db2.gz YUXHQVVAQNUOKD-UHFFFAOYSA-N 1 2 383.517 4.490 50 0 GIAALO Cc1cc2occ(CC(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c2cc1C(C)C ZINC000023607038 570327688 /nfs/dbraw/zinc/32/76/88/570327688.db2.gz YUXHQVVAQNUOKD-UHFFFAOYSA-N 1 2 383.517 4.490 50 0 GIAALO C[C@H](O)c1cc(Cl)ccc1Sc1ccccc1C[NH+]1CCN(C)CC1 ZINC000022862846 570331850 /nfs/dbraw/zinc/33/18/50/570331850.db2.gz HLFMMWPCGGOWJR-HNNXBMFYSA-N 1 2 376.953 4.292 50 0 GIAALO Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117765301 570335403 /nfs/dbraw/zinc/33/54/03/570335403.db2.gz AWIOUBFMSOWEOT-UHFFFAOYSA-N 1 2 399.498 4.255 50 0 GIAALO Cc1ccc(C(=O)NC2CCN(c3[nH+]c4ccccc4n3C(C)C)CC2)cc1 ZINC000034907140 570339443 /nfs/dbraw/zinc/33/94/43/570339443.db2.gz QTNUUCVVMWXZAC-UHFFFAOYSA-N 1 2 376.504 4.324 50 0 GIAALO Cc1ccc(-n2cc[nH+]c2N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000011695657 570343848 /nfs/dbraw/zinc/34/38/48/570343848.db2.gz YBTMENRBJVZJQX-UHFFFAOYSA-N 1 2 396.494 4.296 50 0 GIAALO Cc1ccc2[nH]cc(C(=O)C[NH+]3CCN(c4cc(Cl)ccc4C)CC3)c2c1 ZINC000035448440 570361260 /nfs/dbraw/zinc/36/12/60/570361260.db2.gz OPHOQVXIFXYCSL-UHFFFAOYSA-N 1 2 381.907 4.443 50 0 GIAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)c2ccc(OC3CCCC3)nc2)C1 ZINC000575618924 570365157 /nfs/dbraw/zinc/36/51/57/570365157.db2.gz XJWFYOWYWPNJEP-SFHVURJKSA-N 1 2 390.487 4.148 50 0 GIAALO Cc1sc2ncnc(N3CC[NH+](Cc4nc5ccccc5s4)CC3)c2c1C ZINC000023994819 570376736 /nfs/dbraw/zinc/37/67/36/570376736.db2.gz HHCAOTPMKOGMOH-UHFFFAOYSA-N 1 2 395.557 4.240 50 0 GIAALO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000024260178 570381344 /nfs/dbraw/zinc/38/13/44/570381344.db2.gz SYRBPCOGZKTFIE-UHFFFAOYSA-N 1 2 378.447 4.352 50 0 GIAALO COc1ccc(C[NH+]2CCN(C(=O)c3cc4ccc(F)cc4s3)CC2)cc1 ZINC000024309448 570381919 /nfs/dbraw/zinc/38/19/19/570381919.db2.gz LWYQJAJNOUBJJN-UHFFFAOYSA-N 1 2 384.476 4.007 50 0 GIAALO COc1ccc(C2(C(=O)N[C@@H](Cn3cc[nH+]c3)c3ccccc3)CCCC2)cc1 ZINC000220162268 570383099 /nfs/dbraw/zinc/38/30/99/570383099.db2.gz IBAZPSFMXVCIGB-QFIPXVFZSA-N 1 2 389.499 4.261 50 0 GIAALO CC(C)N(C(=O)C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Nc2ccccc2)cc1 ZINC000025719283 570418600 /nfs/dbraw/zinc/41/86/00/570418600.db2.gz YSPZYKYNJOMJHT-RTBURBONSA-N 1 2 381.520 4.281 50 0 GIAALO CCOC(=O)c1ccc2[nH+]c(C)c3c(c2c1)O[C@@H]([C@@](C)(Cl)Br)C3 ZINC000001211870 570453045 /nfs/dbraw/zinc/45/30/45/570453045.db2.gz DAXNGEUIXDPMPH-RHSMWYFYSA-N 1 2 398.684 4.373 50 0 GIAALO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1ccc(-c2ccccc2Cl)o1 ZINC000029219603 570470466 /nfs/dbraw/zinc/47/04/66/570470466.db2.gz DYWNPABRMBVBJY-UHFFFAOYSA-N 1 2 378.819 4.111 50 0 GIAALO O=S(=O)(CCSc1[nH+]cc2ccccn21)c1cc(Cl)ccc1Cl ZINC000029876433 570481788 /nfs/dbraw/zinc/48/17/88/570481788.db2.gz DLMNTUSCOKMCMZ-UHFFFAOYSA-N 1 2 387.313 4.207 50 0 GIAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(CC)cc1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000016690047 570494534 /nfs/dbraw/zinc/49/45/34/570494534.db2.gz DJFLBCRAOWZTBJ-KDOFPFPSSA-N 1 2 384.549 4.443 50 0 GIAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(CC)cc1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000016690047 570494537 /nfs/dbraw/zinc/49/45/37/570494537.db2.gz DJFLBCRAOWZTBJ-KDOFPFPSSA-N 1 2 384.549 4.443 50 0 GIAALO Cc1[nH]c2cc(C)ccc2c1C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000034687789 570542937 /nfs/dbraw/zinc/54/29/37/570542937.db2.gz LVACKMZWIONTTN-KRWDZBQOSA-N 1 2 379.479 4.317 50 0 GIAALO COc1ccccc1N1CC[NH+](CC(=O)n2c3ccccc3c3ccccc32)CC1 ZINC000035839870 570558341 /nfs/dbraw/zinc/55/83/41/570558341.db2.gz RWFPLYQFRONCJD-UHFFFAOYSA-N 1 2 399.494 4.266 50 0 GIAALO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(Cl)c3ccccc3c2O)cn1 ZINC000072311877 570560138 /nfs/dbraw/zinc/56/01/38/570560138.db2.gz WJEYXFFDLCNWKK-UHFFFAOYSA-N 1 2 392.846 4.018 50 0 GIAALO COCCn1c2ccc(Cl)cc2nc1SCc1ccc(-n2cc[nH+]c2)nc1 ZINC000072312946 570649502 /nfs/dbraw/zinc/64/95/02/570649502.db2.gz RWIFQXXPDWNGLG-UHFFFAOYSA-N 1 2 399.907 4.209 50 0 GIAALO Fc1cccc([C@H]2CCCC[N@@H+]2Cc2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000012429370 570658151 /nfs/dbraw/zinc/65/81/51/570658151.db2.gz ZOGSGUCXZIRNBS-QGZVFWFLSA-N 1 2 381.407 4.332 50 0 GIAALO Fc1cccc([C@H]2CCCC[N@H+]2Cc2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000012429370 570658154 /nfs/dbraw/zinc/65/81/54/570658154.db2.gz ZOGSGUCXZIRNBS-QGZVFWFLSA-N 1 2 381.407 4.332 50 0 GIAALO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[NH+]1CCCCC1 ZINC000000846840 570661792 /nfs/dbraw/zinc/66/17/92/570661792.db2.gz XPPYNGDSDUKZCX-UHFFFAOYSA-N 1 2 386.517 4.325 50 0 GIAALO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000012469140 570672327 /nfs/dbraw/zinc/67/23/27/570672327.db2.gz UQUJIULOZFDSOD-AWEZNQCLSA-N 1 2 399.844 4.496 50 0 GIAALO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000012469140 570672328 /nfs/dbraw/zinc/67/23/28/570672328.db2.gz UQUJIULOZFDSOD-AWEZNQCLSA-N 1 2 399.844 4.496 50 0 GIAALO COc1ccc(Cc2noc(C[N@H+](C)[C@H]3CCCc4ccccc43)n2)cc1OC ZINC000012584256 570685011 /nfs/dbraw/zinc/68/50/11/570685011.db2.gz VZKCFRYVPJSDQW-IBGZPJMESA-N 1 2 393.487 4.187 50 0 GIAALO COc1ccc(Cc2noc(C[N@@H+](C)[C@H]3CCCc4ccccc43)n2)cc1OC ZINC000012584256 570685013 /nfs/dbraw/zinc/68/50/13/570685013.db2.gz VZKCFRYVPJSDQW-IBGZPJMESA-N 1 2 393.487 4.187 50 0 GIAALO CC[C@H]1c2ccsc2CC[N@H+]1Cc1nc2ccc(Cl)cc2n1CCO ZINC000012627548 570691846 /nfs/dbraw/zinc/69/18/46/570691846.db2.gz SMGDDFRCXXIYCI-INIZCTEOSA-N 1 2 375.925 4.253 50 0 GIAALO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1nc2ccc(Cl)cc2n1CCO ZINC000012627548 570691849 /nfs/dbraw/zinc/69/18/49/570691849.db2.gz SMGDDFRCXXIYCI-INIZCTEOSA-N 1 2 375.925 4.253 50 0 GIAALO O=C(NC[C@H]1CCCO1)c1ccc(-c2ccc(N3CCCCCC3)[nH+]c2)cc1 ZINC000065178237 570723893 /nfs/dbraw/zinc/72/38/93/570723893.db2.gz LKFOZZKETSHWBX-OAQYLSRUSA-N 1 2 379.504 4.038 50 0 GIAALO CC(C)c1ccccc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000058277949 570724565 /nfs/dbraw/zinc/72/45/65/570724565.db2.gz GCCKAZOXORAZSO-UHFFFAOYSA-N 1 2 376.460 4.288 50 0 GIAALO O=c1c2ccccc2nc(C[N@H+]2CC=C(c3ccccc3)CC2)n1Cc1ccco1 ZINC000012973277 570733550 /nfs/dbraw/zinc/73/35/50/570733550.db2.gz ZJMGPYBKBOITDF-UHFFFAOYSA-N 1 2 397.478 4.327 50 0 GIAALO O=c1c2ccccc2nc(C[N@@H+]2CC=C(c3ccccc3)CC2)n1Cc1ccco1 ZINC000012973277 570733555 /nfs/dbraw/zinc/73/35/55/570733555.db2.gz ZJMGPYBKBOITDF-UHFFFAOYSA-N 1 2 397.478 4.327 50 0 GIAALO Cc1ccccc1N1CC[NH+](CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 ZINC000013062109 570744534 /nfs/dbraw/zinc/74/45/34/570744534.db2.gz UQIWFDFQFQKQAO-IBGZPJMESA-N 1 2 395.572 4.035 50 0 GIAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1 ZINC000021840758 570750353 /nfs/dbraw/zinc/75/03/53/570750353.db2.gz WGOKGSSCWBPCRB-IBGZPJMESA-N 1 2 392.846 4.248 50 0 GIAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000033106433 570811132 /nfs/dbraw/zinc/81/11/32/570811132.db2.gz LLMODAXZZVUSMZ-UHFFFAOYSA-N 1 2 397.910 4.372 50 0 GIAALO CC(C)c1ccc(CCNC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)cc1 ZINC000032802438 570821263 /nfs/dbraw/zinc/82/12/63/570821263.db2.gz QDTHPYXJYXIRLV-OAQYLSRUSA-N 1 2 394.494 4.314 50 0 GIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3ccc(F)c(F)c3)c2C1 ZINC000014183521 570826719 /nfs/dbraw/zinc/82/67/19/570826719.db2.gz HBGIWHGGTWFPRV-AWEZNQCLSA-N 1 2 395.453 4.382 50 0 GIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3ccc(F)c(F)c3)c2C1 ZINC000014183521 570826721 /nfs/dbraw/zinc/82/67/21/570826721.db2.gz HBGIWHGGTWFPRV-AWEZNQCLSA-N 1 2 395.453 4.382 50 0 GIAALO CCCCCc1[nH+]c2ccccc2n1CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000012525091 570830358 /nfs/dbraw/zinc/83/03/58/570830358.db2.gz AKTIHPQADRJCOZ-UHFFFAOYSA-N 1 2 395.503 4.103 50 0 GIAALO Cn1c(C[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nc2ccccc21 ZINC000012559711 570861559 /nfs/dbraw/zinc/86/15/59/570861559.db2.gz GUBQFIOARYBCHA-JOCHJYFZSA-N 1 2 388.446 4.182 50 0 GIAALO C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)[C@@]1(c2ccccc2)CCCCC1=O ZINC000170607263 570864301 /nfs/dbraw/zinc/86/43/01/570864301.db2.gz RSIWWBPXKSZCLV-OAQYLSRUSA-N 1 2 388.870 4.388 50 0 GIAALO C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)[C@@]1(c2ccccc2)CCCCC1=O ZINC000170607263 570864305 /nfs/dbraw/zinc/86/43/05/570864305.db2.gz RSIWWBPXKSZCLV-OAQYLSRUSA-N 1 2 388.870 4.388 50 0 GIAALO OCc1cccc(NCc2cn(Cc3ccccc3)nc2-c2cccs2)[nH+]1 ZINC000170607180 570864374 /nfs/dbraw/zinc/86/43/74/570864374.db2.gz NFPZMUBZCXWESQ-UHFFFAOYSA-N 1 2 376.485 4.159 50 0 GIAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1cccc(F)c1 ZINC000012560304 570865152 /nfs/dbraw/zinc/86/51/52/570865152.db2.gz FLXIYECSFOUNNK-SFHVURJKSA-N 1 2 392.261 4.314 50 0 GIAALO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000015103732 570881119 /nfs/dbraw/zinc/88/11/19/570881119.db2.gz DJKYPQSIBHGAMB-UHFFFAOYSA-N 1 2 383.561 4.469 50 0 GIAALO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000015103732 570881120 /nfs/dbraw/zinc/88/11/20/570881120.db2.gz DJKYPQSIBHGAMB-UHFFFAOYSA-N 1 2 383.561 4.469 50 0 GIAALO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000103413206 570883968 /nfs/dbraw/zinc/88/39/68/570883968.db2.gz HEVPXIPCTMSLEA-DENIHFKCSA-N 1 2 397.519 4.268 50 0 GIAALO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000103413206 570883969 /nfs/dbraw/zinc/88/39/69/570883969.db2.gz HEVPXIPCTMSLEA-DENIHFKCSA-N 1 2 397.519 4.268 50 0 GIAALO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+](C)Cc1cccc(F)c1 ZINC000097001028 570885625 /nfs/dbraw/zinc/88/56/25/570885625.db2.gz JHOCAHYTKDWZGA-HNNXBMFYSA-N 1 2 375.513 4.468 50 0 GIAALO C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+](C)Cc1cccc(F)c1 ZINC000097001028 570885627 /nfs/dbraw/zinc/88/56/27/570885627.db2.gz JHOCAHYTKDWZGA-HNNXBMFYSA-N 1 2 375.513 4.468 50 0 GIAALO Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3ccc(-n4cc[nH+]c4)nc3)n2c1 ZINC000032902085 570899567 /nfs/dbraw/zinc/89/95/67/570899567.db2.gz UAIUQPGOMBBSQF-UHFFFAOYSA-N 1 2 394.438 4.143 50 0 GIAALO O=C(NC[C@@H](c1cccc2ccccc21)[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000023106479 570905256 /nfs/dbraw/zinc/90/52/56/570905256.db2.gz OFUQYZABVLRTJO-QFIPXVFZSA-N 1 2 394.902 4.297 50 0 GIAALO O=c1c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)coc2ccc(Cl)cc21 ZINC000016662736 570930325 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COc1cc2c(cc1OC)[C@H](C)[N@H+](CC(=O)c1c(C)[nH]c3ccccc31)CC2 ZINC000034798955 570338519 /nfs/dbraw/zinc/33/85/19/570338519.db2.gz WWGKRJJALJMHDL-HNNXBMFYSA-N 1 2 378.472 4.296 50 0 GIAALO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC(=O)c1c(C)[nH]c3ccccc31)CC2 ZINC000034798955 570338524 /nfs/dbraw/zinc/33/85/24/570338524.db2.gz WWGKRJJALJMHDL-HNNXBMFYSA-N 1 2 378.472 4.296 50 0 GIAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)Nc1ccccc1Cl ZINC000035404248 570351389 /nfs/dbraw/zinc/35/13/89/570351389.db2.gz VHNGJUKZWZNFSO-UHFFFAOYSA-N 1 2 392.890 4.254 50 0 GIAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)Nc1ccccc1Cl ZINC000035404248 570351392 /nfs/dbraw/zinc/35/13/92/570351392.db2.gz VHNGJUKZWZNFSO-UHFFFAOYSA-N 1 2 392.890 4.254 50 0 GIAALO COc1ccc(Cl)cc1Nc1c(C(=O)N2CCOCC2)c[nH+]c2ccccc21 ZINC000035478579 570366756 /nfs/dbraw/zinc/36/67/56/570366756.db2.gz TVIACMDNYDCQBY-UHFFFAOYSA-N 1 2 397.862 4.113 50 0 GIAALO CC[C@H](O)c1cc2n(n1)CCCN(c1cc(C)c3cc(SC)ccc3[nH+]1)C2 ZINC000219575681 570369390 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CC[C@@H](C(=O)N1CCN(c2nc(C)[nH+]c(C)c2C(C)C)CC1)c1ccccc1 ZINC000033704244 570400589 /nfs/dbraw/zinc/40/05/89/570400589.db2.gz PLJJGDFTGKSQJR-HXUWFJFHSA-N 1 2 380.536 4.059 50 0 GIAALO CC[C@H](C(=O)N1CCN(c2nc(C)[nH+]c(C)c2C(C)C)CC1)c1ccccc1 ZINC000033704242 570400651 /nfs/dbraw/zinc/40/06/51/570400651.db2.gz PLJJGDFTGKSQJR-FQEVSTJZSA-N 1 2 380.536 4.059 50 0 GIAALO C[C@H](NC(=O)c1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025329478 570410996 /nfs/dbraw/zinc/41/09/96/570410996.db2.gz UCJHZZIMYNJTSR-LIRRHRJNSA-N 1 2 393.314 4.185 50 0 GIAALO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccc(Br)o2)CC1 ZINC000013010162 570416259 /nfs/dbraw/zinc/41/62/59/570416259.db2.gz NARIDPGFSBKRBJ-LBPRGKRZSA-N 1 2 397.700 4.215 50 0 GIAALO COc1ccc(C)cc1C[N@H+](C)[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1 ZINC000027367625 570433720 /nfs/dbraw/zinc/43/37/20/570433720.db2.gz XHIOPFCSWQUEHS-OAQYLSRUSA-N 1 2 379.460 4.112 50 0 GIAALO COc1ccc(C)cc1C[N@@H+](C)[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1 ZINC000027367625 570433723 /nfs/dbraw/zinc/43/37/23/570433723.db2.gz XHIOPFCSWQUEHS-OAQYLSRUSA-N 1 2 379.460 4.112 50 0 GIAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000130893262 570464741 /nfs/dbraw/zinc/46/47/41/570464741.db2.gz RRVWQVLIIKPVIN-UHFFFAOYSA-N 1 2 385.817 4.414 50 0 GIAALO Cc1cc(N(C)Cc2cccc(C(N)=O)c2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000072286872 570477210 /nfs/dbraw/zinc/47/72/10/570477210.db2.gz GMQPFCJUOWXVTD-UHFFFAOYSA-N 1 2 389.377 4.177 50 0 GIAALO COc1ccc2[nH]c(C)c(C(=O)C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000034847919 570544788 /nfs/dbraw/zinc/54/47/88/570544788.db2.gz ZGPAINWADXEDEL-UHFFFAOYSA-N 1 2 397.906 4.143 50 0 GIAALO C[N@H+](Cc1nc(-c2cccs2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000040088188 570550106 /nfs/dbraw/zinc/55/01/06/570550106.db2.gz COAASFIYMMVKKQ-XJKSGUPXSA-N 1 2 396.299 4.195 50 0 GIAALO C[N@@H+](Cc1nc(-c2cccs2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000040088188 570550111 /nfs/dbraw/zinc/55/01/11/570550111.db2.gz COAASFIYMMVKKQ-XJKSGUPXSA-N 1 2 396.299 4.195 50 0 GIAALO CCOc1ccc([C@H](C2Sc3nc(CC)nn3C2=O)[NH+]2CCCCC2)cc1 ZINC000022853122 570556420 /nfs/dbraw/zinc/55/64/20/570556420.db2.gz YWALJLPCQSRUQN-QGZVFWFLSA-N 1 2 386.521 4.033 50 0 GIAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)S2 ZINC000022853036 570556566 /nfs/dbraw/zinc/55/65/66/570556566.db2.gz NJVCXFZZUTZEGR-HNNXBMFYSA-N 1 2 376.913 4.288 50 0 GIAALO c1csc(-c2nnc(CSc3[nH+]cnc4c3cnn4-c3ccccc3)o2)c1 ZINC000003536072 570610617 /nfs/dbraw/zinc/61/06/17/570610617.db2.gz GHABYKBMXLZJNO-UHFFFAOYSA-N 1 2 392.469 4.219 50 0 GIAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000206669572 570664977 /nfs/dbraw/zinc/66/49/77/570664977.db2.gz ZNFTYDAOBLVOJK-OAQYLSRUSA-N 1 2 377.463 4.480 50 0 GIAALO Cc1c[nH]c(CN(C)C(=O)C[C@@H](c2cccc(O)c2)c2cccc(Cl)c2)[nH+]1 ZINC000012445160 570666134 /nfs/dbraw/zinc/66/61/34/570666134.db2.gz ISXDDWXMOSXVCW-LJQANCHMSA-N 1 2 383.879 4.258 50 0 GIAALO Cc1ncc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)cn1 ZINC000012591960 570687709 /nfs/dbraw/zinc/68/77/09/570687709.db2.gz DCIAQENMPVDQPW-QFIPXVFZSA-N 1 2 390.462 4.194 50 0 GIAALO Cc1ncc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)cn1 ZINC000012591960 570687712 /nfs/dbraw/zinc/68/77/12/570687712.db2.gz DCIAQENMPVDQPW-QFIPXVFZSA-N 1 2 390.462 4.194 50 0 GIAALO O=c1c(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)coc2ccccc21 ZINC000055543813 570696229 /nfs/dbraw/zinc/69/62/29/570696229.db2.gz DCQDYWSDSUEQLE-UHFFFAOYSA-N 1 2 388.389 4.134 50 0 GIAALO COc1ccccc1CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000032691318 570742290 /nfs/dbraw/zinc/74/22/90/570742290.db2.gz ARMSKVFOKHXKPR-CQSZACIVSA-N 1 2 386.496 4.330 50 0 GIAALO C[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000013056912 570744111 /nfs/dbraw/zinc/74/41/11/570744111.db2.gz COFORCZGLWIMGP-UHFFFAOYSA-N 1 2 391.446 4.149 50 0 GIAALO C[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000013056912 570744116 /nfs/dbraw/zinc/74/41/16/570744116.db2.gz COFORCZGLWIMGP-UHFFFAOYSA-N 1 2 391.446 4.149 50 0 GIAALO O=C(/C=C/c1ccccc1)N[C@H]([NH2+]C1CCCCC1)C(Cl)(Cl)Cl ZINC000013301936 570753225 /nfs/dbraw/zinc/75/32/25/570753225.db2.gz MXDFEARPGGHAJN-PCUGXKRQSA-N 1 2 375.727 4.435 50 0 GIAALO COc1ccc([C@H]2CCCCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C2)cc1 ZINC000206882750 570754476 /nfs/dbraw/zinc/75/44/76/570754476.db2.gz AYEBYKWTBOXJAE-QFIPXVFZSA-N 1 2 389.499 4.350 50 0 GIAALO CC[NH+](CC)CCSc1nc(O)c(-c2ccccc2)c(=O)n1-c1ccccc1 ZINC000013523460 570756632 /nfs/dbraw/zinc/75/66/32/570756632.db2.gz ZHCIPXPQYUAWKE-UHFFFAOYSA-N 1 2 395.528 4.039 50 0 GIAALO CCCc1c(O)nc(SCC[NH+](CCC)CCC)n(-c2ccccc2)c1=O ZINC000013584432 570760657 /nfs/dbraw/zinc/76/06/57/570760657.db2.gz WCEGWFVUIROBOT-UHFFFAOYSA-N 1 2 389.565 4.105 50 0 GIAALO Cc1ccc2[nH]c(N3CCC(C(=O)NC[C@@H](C)c4ccccc4)CC3)[nH+]c2c1 ZINC000033070761 570802473 /nfs/dbraw/zinc/80/24/73/570802473.db2.gz OJDXRBAFGQNPTO-QGZVFWFLSA-N 1 2 376.504 4.008 50 0 GIAALO Cc1ccc2[nH+]c(N3CCC(C(=O)NC[C@@H](C)c4ccccc4)CC3)[nH]c2c1 ZINC000033070761 570802475 /nfs/dbraw/zinc/80/24/75/570802475.db2.gz OJDXRBAFGQNPTO-QGZVFWFLSA-N 1 2 376.504 4.008 50 0 GIAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000033106423 570811064 /nfs/dbraw/zinc/81/10/64/570811064.db2.gz YGCHGPAEKCVNJN-UHFFFAOYSA-N 1 2 397.910 4.372 50 0 GIAALO COc1cccc([C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)c2[nH+]ccn2C)c1 ZINC000018237494 570811862 /nfs/dbraw/zinc/81/18/62/570811862.db2.gz BOMIEYYEWICNGN-QGZVFWFLSA-N 1 2 390.270 4.255 50 0 GIAALO COc1ccc([C@@H](NC(=O)c2oc3ccc(F)cc3c2C)c2[nH+]ccn2C)cc1 ZINC000012535102 570835415 /nfs/dbraw/zinc/83/54/15/570835415.db2.gz OLZVQJRNTCCXEM-LJQANCHMSA-N 1 2 393.418 4.142 50 0 GIAALO Cc1cccc2[nH+]c(CSc3n[nH]c(COc4ccc(Cl)cc4)n3)cn21 ZINC000012535714 570835788 /nfs/dbraw/zinc/83/57/88/570835788.db2.gz ZSIXAFRQYYQHGB-UHFFFAOYSA-N 1 2 385.880 4.286 50 0 GIAALO COC(=O)c1ccc([C@H](C)[N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000032825189 570839303 /nfs/dbraw/zinc/83/93/03/570839303.db2.gz KNMPYQYMOCJWRM-JTQLQIEISA-N 1 2 385.247 4.005 50 0 GIAALO COC(=O)c1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)o1 ZINC000032825189 570839306 /nfs/dbraw/zinc/83/93/06/570839306.db2.gz KNMPYQYMOCJWRM-JTQLQIEISA-N 1 2 385.247 4.005 50 0 GIAALO Cc1ccc2[nH+]c(COC(=O)c3ccc(COc4ccc(F)cc4)o3)cn2c1 ZINC000032829671 570844273 /nfs/dbraw/zinc/84/42/73/570844273.db2.gz HUFSOJBRFCDPDC-UHFFFAOYSA-N 1 2 380.375 4.311 50 0 GIAALO CC[C@@H](C)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012549868 570851797 /nfs/dbraw/zinc/85/17/97/570851797.db2.gz ZHZYNNKGSLCBOS-IAGOWNOFSA-N 1 2 383.517 4.425 50 0 GIAALO O=C(c1cc2cc(Oc3ccccc3)ccc2[nH]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000004723488 570862293 /nfs/dbraw/zinc/86/22/93/570862293.db2.gz VFZNGUDZTVNPEW-UHFFFAOYSA-N 1 2 398.466 4.318 50 0 GIAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1cccc(F)c1 ZINC000012560306 570865218 /nfs/dbraw/zinc/86/52/18/570865218.db2.gz FLXIYECSFOUNNK-GOSISDBHSA-N 1 2 392.261 4.314 50 0 GIAALO O=C(c1cc(F)ccc1F)[C@@H]1CCCN(C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)C1 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CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847902 205135156 /nfs/dbraw/zinc/13/51/56/205135156.db2.gz RILCHGXLZMAIMN-LBPRGKRZSA-N 1 2 397.338 4.368 50 0 GIAALO COc1ccc(Cl)cc1NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055057248 205141796 /nfs/dbraw/zinc/14/17/96/205141796.db2.gz WRTFBZUXEKTFIK-VMPITWQZSA-N 1 2 385.895 4.212 50 0 GIAALO C[C@H]([NH2+]Cc1nnc(-c2cccc(Br)c2)o1)c1cccc(F)c1 ZINC000058201612 205168665 /nfs/dbraw/zinc/16/86/65/205168665.db2.gz NTFYYNMGUSTXCQ-NSHDSACASA-N 1 2 376.229 4.489 50 0 GIAALO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](Cc4ccccc4F)CC3)n2)cc1 ZINC000058754355 205178396 /nfs/dbraw/zinc/17/83/96/205178396.db2.gz SWXZTFSPISNEPC-QGZVFWFLSA-N 1 2 380.467 4.063 50 0 GIAALO CCCNc1cc(N2CCC(CCC(=O)Nc3ccc(C)cc3)CC2)nc[nH+]1 ZINC000065274226 205226194 /nfs/dbraw/zinc/22/61/94/205226194.db2.gz MGDZYXXCXDKZQE-UHFFFAOYSA-N 1 2 381.524 4.242 50 0 GIAALO CCCNc1cc(N2CCC(CCC(=O)Nc3ccc(C)cc3)CC2)[nH+]cn1 ZINC000065274226 205226198 /nfs/dbraw/zinc/22/61/98/205226198.db2.gz 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4.091 50 0 GIAALO Cc1sc2nc(C(F)(F)F)nc(N3CCN(c4cccc[nH+]4)CC3)c2c1C ZINC000095948985 136182613 /nfs/dbraw/zinc/18/26/13/136182613.db2.gz DOEVNTHGAMBUGP-UHFFFAOYSA-N 1 2 393.438 4.049 50 0 GIAALO CCCC1(NC(=O)c2csc3c2CC[N@H+](Cc2ccc(CC)cn2)C3)CC1 ZINC000426563270 528063088 /nfs/dbraw/zinc/06/30/88/528063088.db2.gz KABOWWWVQPSELY-UHFFFAOYSA-N 1 2 383.561 4.326 50 0 GIAALO CCCC1(NC(=O)c2csc3c2CC[N@@H+](Cc2ccc(CC)cn2)C3)CC1 ZINC000426563270 528063096 /nfs/dbraw/zinc/06/30/96/528063096.db2.gz KABOWWWVQPSELY-UHFFFAOYSA-N 1 2 383.561 4.326 50 0 GIAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3cccc(C)c3)C2)nc[nH+]1 ZINC000065242393 535193746 /nfs/dbraw/zinc/19/37/46/535193746.db2.gz GXXZVAYJDODHBV-SFHVURJKSA-N 1 2 381.524 4.242 50 0 GIAALO CCCNc1cc(N2CCC[C@@H](CCC(=O)Nc3cccc(C)c3)C2)[nH+]cn1 ZINC000065242393 535193749 /nfs/dbraw/zinc/19/37/49/535193749.db2.gz GXXZVAYJDODHBV-SFHVURJKSA-N 1 2 381.524 4.242 50 0 GIAALO C[C@H](c1nccs1)[N@H+](C)Cc1cccc(-c2nc(C(F)F)cc(=O)[nH]2)c1 ZINC000019782007 570218456 /nfs/dbraw/zinc/21/84/56/570218456.db2.gz DQPDJNZHZZTARR-LLVKDONJSA-N 1 2 376.432 4.024 50 0 GIAALO C[C@H](c1nccs1)[N@@H+](C)Cc1cccc(-c2nc(C(F)F)cc(=O)[nH]2)c1 ZINC000019782007 570218458 /nfs/dbraw/zinc/21/84/58/570218458.db2.gz DQPDJNZHZZTARR-LLVKDONJSA-N 1 2 376.432 4.024 50 0 GIAALO COc1cc(C[NH+]2CCN(Cc3ccccc3C(F)(F)F)CC2)cc(OC)c1 ZINC000019782019 570218654 /nfs/dbraw/zinc/21/86/54/570218654.db2.gz HDIGFUJFFYBPBC-UHFFFAOYSA-N 1 2 394.437 4.040 50 0 GIAALO COc1cc(CN2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc(OC)c1 ZINC000019782019 570218659 /nfs/dbraw/zinc/21/86/59/570218659.db2.gz HDIGFUJFFYBPBC-UHFFFAOYSA-N 1 2 394.437 4.040 50 0 GIAALO Cc1ccc2c(c1)c1c3n2CC[N@H+](C[C@H](O)COc2ccccc2)[C@H]3CCC1 ZINC000000754175 570222096 /nfs/dbraw/zinc/22/20/96/570222096.db2.gz KBIFTPPLPSKXQS-MBSDFSHPSA-N 1 2 376.500 4.083 50 0 GIAALO Cc1ccc2c(c1)c1c3n2CC[N@@H+](C[C@H](O)COc2ccccc2)[C@H]3CCC1 ZINC000000754175 570222099 /nfs/dbraw/zinc/22/20/99/570222099.db2.gz KBIFTPPLPSKXQS-MBSDFSHPSA-N 1 2 376.500 4.083 50 0 GIAALO CCOc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCC(C)CC2)cc1 ZINC000022626165 570223097 /nfs/dbraw/zinc/22/30/97/570223097.db2.gz HQTXIHVUKBZOOZ-KRWDZBQOSA-N 1 2 386.521 4.025 50 0 GIAALO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC)c3)C2)nc2ccccc21 ZINC000019840969 570224892 /nfs/dbraw/zinc/22/48/92/570224892.db2.gz ZJPOPLVTKZUKPQ-GOSISDBHSA-N 1 2 377.488 4.160 50 0 GIAALO CCn1c(C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC)c3)C2)nc2ccccc21 ZINC000019840969 570224895 /nfs/dbraw/zinc/22/48/95/570224895.db2.gz ZJPOPLVTKZUKPQ-GOSISDBHSA-N 1 2 377.488 4.160 50 0 GIAALO Cc1ccc(CN(Cc2ccccn2)C(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000097179463 570238128 /nfs/dbraw/zinc/23/81/28/570238128.db2.gz UGRFOLGOQNQMKI-UHFFFAOYSA-N 1 2 388.496 4.480 50 0 GIAALO CCCCCc1c(O)nc(SCC[NH+](CC)CC)n(-c2ccccc2)c1=O ZINC000020082239 570238976 /nfs/dbraw/zinc/23/89/76/570238976.db2.gz KEADAPGGASCNNH-UHFFFAOYSA-N 1 2 389.565 4.105 50 0 GIAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(C)nc3c(C)cc(C)cc23)C1 ZINC000097243719 570239752 /nfs/dbraw/zinc/23/97/52/570239752.db2.gz JVZZPHXQKYLWJZ-SFHVURJKSA-N 1 2 376.504 4.396 50 0 GIAALO CCCCCn1c2ccccc2n(C[C@H](O)COc2ccc(Cl)cc2)c1=[NH2+] ZINC000020292191 570251552 /nfs/dbraw/zinc/25/15/52/570251552.db2.gz WCESAQKZWXRAOT-KRWDZBQOSA-N 1 2 387.911 4.206 50 0 GIAALO CCCCCCn1c2ccccc2n(C[C@H](O)COc2ccc(C)cc2)c1=[NH2+] ZINC000020291252 570251903 /nfs/dbraw/zinc/25/19/03/570251903.db2.gz QBQNBRYSAGGFGD-IBGZPJMESA-N 1 2 381.520 4.251 50 0 GIAALO Fc1ccc(-c2csc3ncnc(N4CCN(c5cccc[nH+]5)CC4)c23)cc1 ZINC000001243219 570259583 /nfs/dbraw/zinc/25/95/83/570259583.db2.gz HHLNLKLDSRRNGI-UHFFFAOYSA-N 1 2 391.475 4.219 50 0 GIAALO COc1ccc(-c2[nH+]c3ccccn3c2Nc2ccc3c(c2)OCO3)cc1OC ZINC000001412095 570262474 /nfs/dbraw/zinc/26/24/74/570262474.db2.gz JCSFTTXFSXBATQ-UHFFFAOYSA-N 1 2 389.411 4.491 50 0 GIAALO O=C(c1c(Cl)cccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020508680 570264745 /nfs/dbraw/zinc/26/47/45/570264745.db2.gz OUTTXMCIYYSXMU-VMPITWQZSA-N 1 2 375.299 4.465 50 0 GIAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2Br)cc1 ZINC000012846168 570265134 /nfs/dbraw/zinc/26/51/34/570265134.db2.gz VOEJZKSSTSQRAQ-SFHVURJKSA-N 1 2 389.293 4.233 50 0 GIAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2Br)cc1 ZINC000012846168 570265135 /nfs/dbraw/zinc/26/51/35/570265135.db2.gz VOEJZKSSTSQRAQ-SFHVURJKSA-N 1 2 389.293 4.233 50 0 GIAALO COc1ccc(C[NH+]2CCN(C(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000020543180 570267056 /nfs/dbraw/zinc/26/70/56/570267056.db2.gz AVZNHMDJWJLGPF-UHFFFAOYSA-N 1 2 375.472 4.198 50 0 GIAALO COc1ccccc1C[N@H+](C)[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012855748 570267228 /nfs/dbraw/zinc/26/72/28/570267228.db2.gz JOZDNKLHFDOQJQ-CYBMUJFWSA-N 1 2 395.484 4.446 50 0 GIAALO COc1ccccc1C[N@@H+](C)[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012855748 570267229 /nfs/dbraw/zinc/26/72/29/570267229.db2.gz JOZDNKLHFDOQJQ-CYBMUJFWSA-N 1 2 395.484 4.446 50 0 GIAALO Cc1oc2cc(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)ccc2c(=O)c1-c1ccccc1 ZINC000020590644 570269144 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CCCc1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(OC)c(OC)c2)no1 ZINC000021719931 570294940 /nfs/dbraw/zinc/29/49/40/570294940.db2.gz QIFXXGYFRCROCJ-LJQANCHMSA-N 1 2 396.491 4.372 50 0 GIAALO CCCc1cc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc(OC)c(OC)c2)no1 ZINC000021719931 570294941 /nfs/dbraw/zinc/29/49/41/570294941.db2.gz QIFXXGYFRCROCJ-LJQANCHMSA-N 1 2 396.491 4.372 50 0 GIAALO COc1cc(C[NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc(OC)c1 ZINC000022035619 570302528 /nfs/dbraw/zinc/30/25/28/570302528.db2.gz NQNSVHIOBJBNKW-UHFFFAOYSA-N 1 2 394.437 4.040 50 0 GIAALO O=C(CCc1ncc(-c2ccccc2)o1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022290841 570312529 /nfs/dbraw/zinc/31/25/29/570312529.db2.gz LOPNQDPOVMHJJV-UHFFFAOYSA-N 1 2 396.516 4.355 50 0 GIAALO C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000014527106 570312746 /nfs/dbraw/zinc/31/27/46/570312746.db2.gz STAJZWQBKXPOSX-CQSZACIVSA-N 1 2 393.940 4.434 50 0 GIAALO CC(C)c1noc([C@H](C)Sc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000012944547 570316219 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/nfs/dbraw/zinc/43/54/09/570435409.db2.gz NVAVFULAELNQLS-UHFFFAOYSA-N 1 2 385.471 4.047 50 0 GIAALO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4cnn(-c5ccccc5)n4)CC3)c2c1 ZINC000072271175 570435414 /nfs/dbraw/zinc/43/54/14/570435414.db2.gz NVAVFULAELNQLS-UHFFFAOYSA-N 1 2 385.471 4.047 50 0 GIAALO Cc1nc2scc(-c3cccs3)c2c(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000006510533 570461926 /nfs/dbraw/zinc/46/19/26/570461926.db2.gz YVTTXJJDDJDQJG-UHFFFAOYSA-N 1 2 393.541 4.450 50 0 GIAALO CCCCSCc1cc(C(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)oc1C ZINC000223664441 570477418 /nfs/dbraw/zinc/47/74/18/570477418.db2.gz ZXZPENIDUQPBDS-KRWDZBQOSA-N 1 2 375.538 4.370 50 0 GIAALO C[C@H](NC(=O)CCc1nc2ccccc2s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000006648754 570518175 /nfs/dbraw/zinc/51/81/75/570518175.db2.gz LEZPBILYFFPGFR-HNNXBMFYSA-N 1 2 376.485 4.292 50 0 GIAALO CCn1c(SCc2cn3cc(C)ccc3[nH+]2)nc2sc(C)c(C)c2c1=O ZINC000005254640 570530004 /nfs/dbraw/zinc/53/00/04/570530004.db2.gz FKESGMSDISEBSZ-UHFFFAOYSA-N 1 2 384.530 4.343 50 0 GIAALO Cn1c(CCc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)[nH+]c2ccccc21 ZINC000032960836 570531496 /nfs/dbraw/zinc/53/14/96/570531496.db2.gz HMDFDEZMWUTLSA-UHFFFAOYSA-N 1 2 399.450 4.340 50 0 GIAALO Cc1sc2ncnc(N3CCN(c4cccc[nH+]4)CC3)c2c1-c1ccccc1 ZINC000008536148 570533433 /nfs/dbraw/zinc/53/34/33/570533433.db2.gz QYBHQQSWDGGOMI-UHFFFAOYSA-N 1 2 387.512 4.388 50 0 GIAALO CC(C)C(=O)N(Cc1[nH+]ccn1Cc1cccc(C(F)(F)F)c1)CC1CC1 ZINC000006695301 570538591 /nfs/dbraw/zinc/53/85/91/570538591.db2.gz JCBSEQDDICIZRL-UHFFFAOYSA-N 1 2 379.426 4.345 50 0 GIAALO CCCN(C)c1nc(SCc2ccc(C(=O)N3CCCC3)cc2)[nH+]c(C)c1C ZINC000006765645 570576381 /nfs/dbraw/zinc/57/63/81/570576381.db2.gz JQGBNKISIGTKML-UHFFFAOYSA-N 1 2 398.576 4.468 50 0 GIAALO CCCN(C)c1nc(SCc2ccc(C(=O)NC3CC3)cc2)[nH+]c(C)c1C ZINC000006765369 570576449 /nfs/dbraw/zinc/57/64/49/570576449.db2.gz TYRMBNFXUTZGRF-UHFFFAOYSA-N 1 2 384.549 4.124 50 0 GIAALO CCCCNc1nc2ccccc2c2nc(CCn3c(C)[nH+]c4ccccc43)nn21 ZINC000006785004 570592050 /nfs/dbraw/zinc/59/20/50/570592050.db2.gz ZWIQOVJGQVICRV-UHFFFAOYSA-N 1 2 399.502 4.390 50 0 GIAALO CCN(CC)C(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1ccccc1F ZINC000004597479 570628984 /nfs/dbraw/zinc/62/89/84/570628984.db2.gz MJLAENBREXKYJJ-HXUWFJFHSA-N 1 2 378.451 4.333 50 0 GIAALO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@H]2c2nccs2)c(OC)c1 ZINC000012301967 570636475 /nfs/dbraw/zinc/63/64/75/570636475.db2.gz QKMSYBRXNYVQPR-KRWDZBQOSA-N 1 2 384.505 4.278 50 0 GIAALO COc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@H]2c2nccs2)c(OC)c1 ZINC000012301967 570636478 /nfs/dbraw/zinc/63/64/78/570636478.db2.gz QKMSYBRXNYVQPR-KRWDZBQOSA-N 1 2 384.505 4.278 50 0 GIAALO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000012305726 570638610 /nfs/dbraw/zinc/63/86/10/570638610.db2.gz QTWORGOSEGXUTH-NRFANRHFSA-N 1 2 388.471 4.262 50 0 GIAALO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000012305726 570638611 /nfs/dbraw/zinc/63/86/11/570638611.db2.gz QTWORGOSEGXUTH-NRFANRHFSA-N 1 2 388.471 4.262 50 0 GIAALO Cn1c(CCc2ccccc2)[nH+]c2cc(NC(=O)COc3ccccc3)ccc21 ZINC000033020578 570646204 /nfs/dbraw/zinc/64/62/04/570646204.db2.gz DNYZJSAAWOISSL-UHFFFAOYSA-N 1 2 385.467 4.376 50 0 GIAALO Cc1c([C@H](C)[NH2+]Cc2nc3ccc(F)cc3[nH]2)cnn1-c1ccc(F)cc1F ZINC000012444821 570665653 /nfs/dbraw/zinc/66/56/53/570665653.db2.gz WWDDHAXTHYBXFX-NSHDSACASA-N 1 2 385.393 4.325 50 0 GIAALO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000053523792 570675054 /nfs/dbraw/zinc/67/50/54/570675054.db2.gz WDAZKVPZXFGGNF-UHFFFAOYSA-N 1 2 391.515 4.341 50 0 GIAALO COC(=O)c1ccc(CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2C)o1 ZINC000004341765 570676913 /nfs/dbraw/zinc/67/69/13/570676913.db2.gz UEDDILQZNSQEMF-UHFFFAOYSA-N 1 2 394.456 4.104 50 0 GIAALO COc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc(Cl)ccc2C)cc1 ZINC000004354786 570691541 /nfs/dbraw/zinc/69/15/41/570691541.db2.gz GFOHQGZFLXVVHY-UHFFFAOYSA-N 1 2 379.851 4.398 50 0 GIAALO Cc1ccc2c(c1)c1c3n2CC[N@H+](C[C@@H](O)COc2ccccc2C)[C@@H]3CCC1 ZINC000012656268 570696116 /nfs/dbraw/zinc/69/61/16/570696116.db2.gz FIGLUTGAGZGEAE-AUSIDOKSSA-N 1 2 390.527 4.391 50 0 GIAALO Cc1ccc2c(c1)c1c3n2CC[N@@H+](C[C@@H](O)COc2ccccc2C)[C@@H]3CCC1 ZINC000012656268 570696124 /nfs/dbraw/zinc/69/61/24/570696124.db2.gz FIGLUTGAGZGEAE-AUSIDOKSSA-N 1 2 390.527 4.391 50 0 GIAALO C[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000004626088 570703269 /nfs/dbraw/zinc/70/32/69/570703269.db2.gz JHLPBFOWDHHRBC-ZDUSSCGKSA-N 1 2 393.830 4.123 50 0 GIAALO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC000036446794 570712052 /nfs/dbraw/zinc/71/20/52/570712052.db2.gz KUEYEZWBDDTODE-OAQYLSRUSA-N 1 2 378.497 4.495 50 0 GIAALO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000036446794 570712054 /nfs/dbraw/zinc/71/20/54/570712054.db2.gz KUEYEZWBDDTODE-OAQYLSRUSA-N 1 2 378.497 4.495 50 0 GIAALO C[C@@H]([NH2+]Cc1nnc(-c2cccc(Br)c2)o1)c1cccc(F)c1 ZINC000058201613 570718778 /nfs/dbraw/zinc/71/87/78/570718778.db2.gz NTFYYNMGUSTXCQ-LLVKDONJSA-N 1 2 376.229 4.489 50 0 GIAALO CC[N@H+](CC(=O)Nc1nnc(-c2sccc2C)o1)Cc1ccc(Cl)s1 ZINC000058306847 570725949 /nfs/dbraw/zinc/72/59/49/570725949.db2.gz KHUVUAQQSMXGRJ-UHFFFAOYSA-N 1 2 396.925 4.282 50 0 GIAALO CC[N@@H+](CC(=O)Nc1nnc(-c2sccc2C)o1)Cc1ccc(Cl)s1 ZINC000058306847 570725951 /nfs/dbraw/zinc/72/59/51/570725951.db2.gz KHUVUAQQSMXGRJ-UHFFFAOYSA-N 1 2 396.925 4.282 50 0 GIAALO Cc1cn2cc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCCC4)ccc2[nH+]1 ZINC000058312155 570726729 /nfs/dbraw/zinc/72/67/29/570726729.db2.gz SYZHMYUKSHKGFF-UHFFFAOYSA-N 1 2 389.434 4.099 50 0 GIAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)c1 ZINC000032679074 570730485 /nfs/dbraw/zinc/73/04/85/570730485.db2.gz OPJZGIAWAZLRGZ-UHFFFAOYSA-N 1 2 394.422 4.139 50 0 GIAALO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[NH+]1CCCC1 ZINC000013137548 570748483 /nfs/dbraw/zinc/74/84/83/570748483.db2.gz IBJUOTJHPONUCZ-UHFFFAOYSA-N 1 2 392.908 4.280 50 0 GIAALO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)c1ccccc1F)C2 ZINC000065260056 570762340 /nfs/dbraw/zinc/76/23/40/570762340.db2.gz JYJZNCSVYJQQTI-HSZRJFAPSA-N 1 2 394.494 4.344 50 0 GIAALO CCC[C@@H](C)c1c(-c2ccccc2)[nH+]cn1C1CCN(S(C)(=O)=O)CC1 ZINC000065382494 570763013 /nfs/dbraw/zinc/76/30/13/570763013.db2.gz XCGGDSGQBHLKKS-MRXNPFEDSA-N 1 2 375.538 4.050 50 0 GIAALO Cc1[nH]c(CN2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)c[nH+]1 ZINC000067562707 570782099 /nfs/dbraw/zinc/78/20/99/570782099.db2.gz CQCGSERSGXCJFX-UHFFFAOYSA-N 1 2 392.484 4.095 50 0 GIAALO Cc1[nH]cc(CN2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)[nH+]1 ZINC000067562707 570782102 /nfs/dbraw/zinc/78/21/02/570782102.db2.gz CQCGSERSGXCJFX-UHFFFAOYSA-N 1 2 392.484 4.095 50 0 GIAALO CCn1cc[nH+]c1Cn1cnc(-c2ccccc2)c1-c1ccc(-c2cc[nH]n2)o1 ZINC000067880749 570795573 /nfs/dbraw/zinc/79/55/73/570795573.db2.gz IKZQKVVDLKTFTJ-UHFFFAOYSA-N 1 2 384.443 4.465 50 0 GIAALO Cc1ccsc1CN(C)C(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)on1 ZINC000067974869 570799567 /nfs/dbraw/zinc/79/95/67/570799567.db2.gz NUZZCSVJRXHDCA-UHFFFAOYSA-N 1 2 380.473 4.023 50 0 GIAALO Cc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2[nH+]1 ZINC000005884275 570800831 /nfs/dbraw/zinc/80/08/31/570800831.db2.gz MFSLCIQTMBLHRI-UHFFFAOYSA-N 1 2 382.363 4.243 50 0 GIAALO Cc1ccc(CCNC(=O)C2CCN(c3[nH]c4ccc(Cl)cc4[nH+]3)CC2)cc1 ZINC000033071144 570803106 /nfs/dbraw/zinc/80/31/06/570803106.db2.gz XQOAOMWWOKICKJ-UHFFFAOYSA-N 1 2 396.922 4.100 50 0 GIAALO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267150 570822364 /nfs/dbraw/zinc/82/23/64/570822364.db2.gz BNTDGJHKBSDKFS-TZMCWYRMSA-N 1 2 395.286 4.092 50 0 GIAALO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267150 570822368 /nfs/dbraw/zinc/82/23/68/570822368.db2.gz BNTDGJHKBSDKFS-TZMCWYRMSA-N 1 2 395.286 4.092 50 0 GIAALO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267149 570822521 /nfs/dbraw/zinc/82/25/21/570822521.db2.gz BNTDGJHKBSDKFS-GXTWGEPZSA-N 1 2 395.286 4.092 50 0 GIAALO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000007267149 570822522 /nfs/dbraw/zinc/82/25/22/570822522.db2.gz BNTDGJHKBSDKFS-GXTWGEPZSA-N 1 2 395.286 4.092 50 0 GIAALO Cn1c(-c2cccc(Br)c2)cn2cc(-c3ccc4c(c3)OCO4)[nH+]c21 ZINC000004678258 570824263 /nfs/dbraw/zinc/82/42/63/570824263.db2.gz XPFOUQDKKBFKCO-UHFFFAOYSA-N 1 2 396.244 4.498 50 0 GIAALO Nc1nc(C[NH2+][C@H](c2cccs2)c2ccccc2)nc(Nc2ccccc2)n1 ZINC000012512798 570824595 /nfs/dbraw/zinc/82/45/95/570824595.db2.gz WBNJIKGFRBZHBO-IBGZPJMESA-N 1 2 388.500 4.138 50 0 GIAALO Cc1c2cc(CNC(=O)[C@H](C)n3cc[nH+]c3)ccc2[nH]c1-c1ccccc1F ZINC000071404142 570833047 /nfs/dbraw/zinc/83/30/47/570833047.db2.gz YJCAXSMIDODQDL-HNNXBMFYSA-N 1 2 376.435 4.356 50 0 GIAALO Cn1cc[nH+]c1[C@H](NC(=O)CSCc1ccccc1)c1ccc(Cl)cc1 ZINC000012530031 570833651 /nfs/dbraw/zinc/83/36/51/570833651.db2.gz ATNJMUZNBFSELT-LJQANCHMSA-N 1 2 385.920 4.213 50 0 GIAALO CC(C)c1nccc(C[N@@H+]2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000071479648 570837836 /nfs/dbraw/zinc/83/78/36/570837836.db2.gz AGEJJTLGKRQSFC-SFHVURJKSA-N 1 2 379.426 4.062 50 0 GIAALO CC(C)c1nccc(C[N@H+]2CCO[C@@H](Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000071479648 570837838 /nfs/dbraw/zinc/83/78/38/570837838.db2.gz AGEJJTLGKRQSFC-SFHVURJKSA-N 1 2 379.426 4.062 50 0 GIAALO CC(C)c1nccc(C[N@@H+]2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000071479647 570837903 /nfs/dbraw/zinc/83/79/03/570837903.db2.gz AGEJJTLGKRQSFC-GOSISDBHSA-N 1 2 379.426 4.062 50 0 GIAALO CC(C)c1nccc(C[N@H+]2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000071479647 570837906 /nfs/dbraw/zinc/83/79/06/570837906.db2.gz AGEJJTLGKRQSFC-GOSISDBHSA-N 1 2 379.426 4.062 50 0 GIAALO Cc1ccc(C)c2sc(N(CCCn3cc[nH+]c3)C(=O)c3ccco3)nc21 ZINC000007424770 570841662 /nfs/dbraw/zinc/84/16/62/570841662.db2.gz QWSKWUMQKHICFZ-UHFFFAOYSA-N 1 2 380.473 4.440 50 0 GIAALO Cn1cc[nH+]c1[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1F ZINC000012541290 570842395 /nfs/dbraw/zinc/84/23/95/570842395.db2.gz HPESESKDEVZAMX-RWENRRORSA-N 1 2 381.495 4.371 50 0 GIAALO CCOC(=O)C1CC[NH+]([C@@H](C(=O)Nc2c(C)cccc2C)c2ccccc2)CC1 ZINC000058012545 570843214 /nfs/dbraw/zinc/84/32/14/570843214.db2.gz QUTNCKZDSIWRHX-JOCHJYFZSA-N 1 2 394.515 4.258 50 0 GIAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1ccn(-c2ccc(F)cc2)n1 ZINC000032833333 570845448 /nfs/dbraw/zinc/84/54/48/570845448.db2.gz GGNZZCSGHAXEKT-UHFFFAOYSA-N 1 2 389.434 4.340 50 0 GIAALO O=C(NCC1CCN(c2cccc[nH+]2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000043976573 570848847 /nfs/dbraw/zinc/84/88/47/570848847.db2.gz SXEWEQYVXZTIOM-UHFFFAOYSA-N 1 2 378.398 4.139 50 0 GIAALO CCOc1ccc2ccccc2c1C(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043976165 570848901 /nfs/dbraw/zinc/84/89/01/570848901.db2.gz FCCGHAQWNDDNLH-UHFFFAOYSA-N 1 2 389.499 4.280 50 0 GIAALO O=C(CCn1cc[nH+]c1)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071762714 570850012 /nfs/dbraw/zinc/85/00/12/570850012.db2.gz DHVMWUBBNQCTSC-INIZCTEOSA-N 1 2 379.426 4.163 50 0 GIAALO O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000071764607 570851617 /nfs/dbraw/zinc/85/16/17/570851617.db2.gz FSMQFBAJCZKUIN-QGZVFWFLSA-N 1 2 381.451 4.149 50 0 GIAALO Nc1nc(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)nc2ccccc12 ZINC000012550964 570854130 /nfs/dbraw/zinc/85/41/30/570854130.db2.gz CXUJLLYGQXCJME-LJQANCHMSA-N 1 2 378.526 4.483 50 0 GIAALO Nc1nc(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)nc2ccccc12 ZINC000012550964 570854132 /nfs/dbraw/zinc/85/41/32/570854132.db2.gz CXUJLLYGQXCJME-LJQANCHMSA-N 1 2 378.526 4.483 50 0 GIAALO C[C@H]1CCN(C(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c2ccccc2S1 ZINC000032851114 570854472 /nfs/dbraw/zinc/85/44/72/570854472.db2.gz IJGQCRFPKWHTDF-KRWDZBQOSA-N 1 2 394.540 4.399 50 0 GIAALO C[C@H]1CCN(C(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c2ccccc2S1 ZINC000032851114 570854474 /nfs/dbraw/zinc/85/44/74/570854474.db2.gz IJGQCRFPKWHTDF-KRWDZBQOSA-N 1 2 394.540 4.399 50 0 GIAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1F ZINC000012551392 570855044 /nfs/dbraw/zinc/85/50/44/570855044.db2.gz CATIUDZXVYDDQD-GOSISDBHSA-N 1 2 392.261 4.314 50 0 GIAALO O=C(CCc1ccccc1)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000072154285 570873985 /nfs/dbraw/zinc/87/39/85/570873985.db2.gz MYTASTFIFFWQQM-HXUWFJFHSA-N 1 2 375.472 4.151 50 0 GIAALO O=C(CCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000072154285 570873988 /nfs/dbraw/zinc/87/39/88/570873988.db2.gz MYTASTFIFFWQQM-HXUWFJFHSA-N 1 2 375.472 4.151 50 0 GIAALO CCc1ccc([C@H](Nc2[nH+]cnc3c2c(Br)nn3C)C(C)C)cc1 ZINC000170620860 570878559 /nfs/dbraw/zinc/87/85/59/570878559.db2.gz WOXUHMKXCQLHPT-OAHLLOKOSA-N 1 2 388.313 4.497 50 0 GIAALO Cn1cc[nH+]c1[C@H](NC(=O)CCn1ccc2ccccc21)c1ccc(Cl)cc1 ZINC000012603652 570887209 /nfs/dbraw/zinc/88/72/09/570887209.db2.gz WDVOIGUEKOCWDN-OAQYLSRUSA-N 1 2 392.890 4.324 50 0 GIAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)Nc1cc(Cl)ccc1Cl ZINC000013324881 570895185 /nfs/dbraw/zinc/89/51/85/570895185.db2.gz FEXIITQFVGFBJK-UHFFFAOYSA-N 1 2 380.275 4.470 50 0 GIAALO CC[C@@H](C)NC(=O)CSc1[nH+]ccc2c1ccn2Cc1ccc(OC)cc1 ZINC000033298438 570962435 /nfs/dbraw/zinc/96/24/35/570962435.db2.gz ZIKGEVVPTZLJGG-OAHLLOKOSA-N 1 2 383.517 4.100 50 0 GIAALO 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GIAALO Cc1cccc(-n2cc(C[N@@H+](C)Cc3ncc[nH]3)c(-c3cccc(F)c3)n2)c1 ZINC000015072969 207045361 /nfs/dbraw/zinc/04/53/61/207045361.db2.gz WRHPMVBMHYSDCT-UHFFFAOYSA-N 1 2 375.451 4.342 50 0 GIAALO COc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3C(C)C)cc2)c(OC)c1OC ZINC000015083714 207046059 /nfs/dbraw/zinc/04/60/59/207046059.db2.gz IYXAHTNUNUHVJT-UHFFFAOYSA-N 1 2 395.459 4.274 50 0 GIAALO Fc1ccccc1Cc1noc(C[NH+]2CCC(Cc3ccccc3F)CC2)n1 ZINC000015074437 207046647 /nfs/dbraw/zinc/04/66/47/207046647.db2.gz GAXWRFUWSSVZJQ-UHFFFAOYSA-N 1 2 383.442 4.393 50 0 GIAALO Cc1c[nH]c(CN(C)C(=O)C[C@@H](c2cccc(O)c2)c2ccccc2Cl)[nH+]1 ZINC000015071464 207044662 /nfs/dbraw/zinc/04/46/62/207044662.db2.gz YBIIUNPPIYPTFW-SFHVURJKSA-N 1 2 383.879 4.258 50 0 GIAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc(C)cc3)no2)c(OC)c1 ZINC000015367094 207051855 /nfs/dbraw/zinc/05/18/55/207051855.db2.gz VGTQEEKLRNZMDR-IBGZPJMESA-N 1 2 379.460 4.399 50 0 GIAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc(C)cc3)no2)c(OC)c1 ZINC000015367094 207051861 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4.280 50 0 GIAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000102850344 570867815 /nfs/dbraw/zinc/86/78/15/570867815.db2.gz SNBSOVGCOHVGRE-IAQYHMDHSA-N 1 2 376.913 4.280 50 0 GIAALO COc1ccccc1[C@@H](NC(=O)c1oc2ccc(F)cc2c1C)c1[nH+]ccn1C ZINC000012601532 570887369 /nfs/dbraw/zinc/88/73/69/570887369.db2.gz NIUSXSXKCVNLIV-LJQANCHMSA-N 1 2 393.418 4.142 50 0 GIAALO Cc1cnc(NC(=O)c2ccccc2OCc2cn3cc(C)ccc3[nH+]2)s1 ZINC000047065305 570939275 /nfs/dbraw/zinc/93/92/75/570939275.db2.gz QWEWDRUXBPWHAC-UHFFFAOYSA-N 1 2 378.457 4.239 50 0 GIAALO CCOC(=O)CC1(NC(=O)Nc2ccc3[nH+]c(C)cc(OC)c3c2)CCCCC1 ZINC000033278724 570952858 /nfs/dbraw/zinc/95/28/58/570952858.db2.gz NBMZKYOLRYJRTK-UHFFFAOYSA-N 1 2 399.491 4.329 50 0 GIAALO Cc1nnc(C[N@@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)o1 ZINC000012201070 570962912 /nfs/dbraw/zinc/96/29/12/570962912.db2.gz SVDZNBGMTSVZAA-UHFFFAOYSA-N 1 2 387.487 4.480 50 0 GIAALO Cc1nnc(C[N@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)o1 ZINC000012201070 570962914 /nfs/dbraw/zinc/96/29/14/570962914.db2.gz SVDZNBGMTSVZAA-UHFFFAOYSA-N 1 2 387.487 4.480 50 0 GIAALO COc1ccc([C@@H](NC(=O)c2oc3ccccc3c2C)c2[nH+]ccn2C)cc1 ZINC000012739400 570981360 /nfs/dbraw/zinc/98/13/60/570981360.db2.gz GDDVYZHOVXOCAB-LJQANCHMSA-N 1 2 375.428 4.003 50 0 GIAALO COc1ccc(C(=O)N2CCCCCC2)cc1NCc1cn2c(cccc2C)[nH+]1 ZINC000170650424 570985479 /nfs/dbraw/zinc/98/54/79/570985479.db2.gz IJPVREXXYDJEEV-UHFFFAOYSA-N 1 2 392.503 4.280 50 0 GIAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 ZINC000010656494 570988765 /nfs/dbraw/zinc/98/87/65/570988765.db2.gz FUZKSYCNVXENSF-FQEVSTJZSA-N 1 2 393.393 4.478 50 0 GIAALO C[N@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000012761902 571012442 /nfs/dbraw/zinc/01/24/42/571012442.db2.gz MVFWNYDRKKGQRY-UHFFFAOYSA-N 1 2 388.467 4.081 50 0 GIAALO C[N@@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000012761902 571012445 /nfs/dbraw/zinc/01/24/45/571012445.db2.gz MVFWNYDRKKGQRY-UHFFFAOYSA-N 1 2 388.467 4.081 50 0 GIAALO Cc1nc(-c2ccccc2)sc1C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000012772752 571026634 /nfs/dbraw/zinc/02/66/34/571026634.db2.gz UUFZSEKSWSQSAG-UHFFFAOYSA-N 1 2 391.540 4.385 50 0 GIAALO C[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1cccs1 ZINC000007845905 817935827 /nfs/dbraw/zinc/93/58/27/817935827.db2.gz FDOPJTTWLNYLNE-UHFFFAOYSA-N 1 2 379.485 4.071 50 0 GIAALO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1cccs1 ZINC000007845905 817935833 /nfs/dbraw/zinc/93/58/33/817935833.db2.gz FDOPJTTWLNYLNE-UHFFFAOYSA-N 1 2 379.485 4.071 50 0 GIAALO Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008013724 817982715 /nfs/dbraw/zinc/98/27/15/817982715.db2.gz JFTLMSOFLHTVLK-AWEZNQCLSA-N 1 2 385.899 4.178 50 0 GIAALO Cc1csc2nc(C[N@@H+]3CCC[C@H]3c3nc4ccccc4s3)cc(=O)n12 ZINC000008076285 817994654 /nfs/dbraw/zinc/99/46/54/817994654.db2.gz VJGMZJHQEQNBJU-HNNXBMFYSA-N 1 2 382.514 4.011 50 0 GIAALO Cc1csc2nc(C[N@H+]3CCC[C@H]3c3nc4ccccc4s3)cc(=O)n12 ZINC000008076285 817994659 /nfs/dbraw/zinc/99/46/59/817994659.db2.gz VJGMZJHQEQNBJU-HNNXBMFYSA-N 1 2 382.514 4.011 50 0 GIAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000008119906 818003399 /nfs/dbraw/zinc/00/33/99/818003399.db2.gz YDEFWBLEWDSOSZ-UHFFFAOYSA-N 1 2 382.895 4.213 50 0 GIAALO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000008119906 818003409 /nfs/dbraw/zinc/00/34/09/818003409.db2.gz YDEFWBLEWDSOSZ-UHFFFAOYSA-N 1 2 382.895 4.213 50 0 GIAALO Cc1ncc2c(c1-c1noc(-c3cccs3)n1)CC[N@@H+](Cc1ccccn1)C2 ZINC000023214174 818911285 /nfs/dbraw/zinc/91/12/85/818911285.db2.gz SUICXQACXIDQEE-UHFFFAOYSA-N 1 2 389.484 4.122 50 0 GIAALO Cc1ncc2c(c1-c1noc(-c3cccs3)n1)CC[N@H+](Cc1ccccn1)C2 ZINC000023214174 818911290 /nfs/dbraw/zinc/91/12/90/818911290.db2.gz SUICXQACXIDQEE-UHFFFAOYSA-N 1 2 389.484 4.122 50 0 GIAALO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000178474498 822382809 /nfs/dbraw/zinc/38/28/09/822382809.db2.gz NKRUZAONCHSZRF-OAHLLOKOSA-N 1 2 396.516 4.324 50 0 GIAALO Cc1ncoc1C(=O)N1CCC(Cc2ccc(COc3cc[nH+]cc3)cc2)CC1 ZINC000575553419 823977212 /nfs/dbraw/zinc/97/72/12/823977212.db2.gz YWXPDRXKNJRYGM-UHFFFAOYSA-N 1 2 391.471 4.052 50 0 GIAALO Cc1c[nH+]c(-c2ccccc2)n1C[C@@H]1CCN(C(=O)c2sc(C)nc2C)C1 ZINC000575560312 823977765 /nfs/dbraw/zinc/97/77/65/823977765.db2.gz UXULIWWVJGMHET-QGZVFWFLSA-N 1 2 380.517 4.094 50 0 GIAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CC=C[C@@H]4C(C)C)csc3C2)nc1 ZINC000426486140 529642610 /nfs/dbraw/zinc/64/26/10/529642610.db2.gz XHTHBUQLJQZDTO-OAQYLSRUSA-N 1 2 395.572 4.300 50 0 GIAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CC=C[C@@H]4C(C)C)csc3C2)nc1 ZINC000426486140 529642613 /nfs/dbraw/zinc/64/26/13/529642613.db2.gz XHTHBUQLJQZDTO-OAQYLSRUSA-N 1 2 395.572 4.300 50 0 GIAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(C/C=C/c4ccccc4)CC3)c2cc1C ZINC000020412530 206297433 /nfs/dbraw/zinc/29/74/33/206297433.db2.gz FUGKIOCTHLNUNJ-RMKNXTFCSA-N 1 2 388.511 4.241 50 0 GIAALO CSc1nc2sc3c(c2c2n[nH]c(=S)n21)CC[N@@H+](Cc1ccccc1)C3 ZINC000002259068 206405709 /nfs/dbraw/zinc/40/57/09/206405709.db2.gz BFDHVCJVPBDISZ-UHFFFAOYSA-N 1 2 399.570 4.282 50 0 GIAALO CSc1nc2sc3c(c2c2n[nH]c(=S)n21)CC[N@H+](Cc1ccccc1)C3 ZINC000002259068 206405711 /nfs/dbraw/zinc/40/57/11/206405711.db2.gz BFDHVCJVPBDISZ-UHFFFAOYSA-N 1 2 399.570 4.282 50 0 GIAALO Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nc(N)cc(C)[nH+]2)c1 ZINC000007049221 206701858 /nfs/dbraw/zinc/70/18/58/206701858.db2.gz HPTZWVIALYHUPO-UHFFFAOYSA-N 1 2 378.501 4.001 50 0 GIAALO O=C(CC[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)NCc1ccc(F)c(F)c1 ZINC000012304877 206880610 /nfs/dbraw/zinc/88/06/10/206880610.db2.gz QBJKFWXECMVMNZ-OAHLLOKOSA-N 1 2 398.457 4.154 50 0 GIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3ccc(F)c(F)c3)c2C1 ZINC000014183522 207014312 /nfs/dbraw/zinc/01/43/12/207014312.db2.gz HBGIWHGGTWFPRV-CQSZACIVSA-N 1 2 395.453 4.382 50 0 GIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3ccc(F)c(F)c3)c2C1 ZINC000014183522 207014317 /nfs/dbraw/zinc/01/43/17/207014317.db2.gz HBGIWHGGTWFPRV-CQSZACIVSA-N 1 2 395.453 4.382 50 0 GIAALO COc1ccc2cc(C[N@H+](C)C[C@@H]3COc4ccccc4O3)c(Cl)nc2c1 ZINC000014672840 207027045 /nfs/dbraw/zinc/02/70/45/207027045.db2.gz VDKIRGCPFOTMBR-QGZVFWFLSA-N 1 2 384.863 4.169 50 0 GIAALO COc1ccc2cc(C[N@@H+](C)C[C@@H]3COc4ccccc4O3)c(Cl)nc2c1 ZINC000014672840 207027048 /nfs/dbraw/zinc/02/70/48/207027048.db2.gz VDKIRGCPFOTMBR-QGZVFWFLSA-N 1 2 384.863 4.169 50 0 GIAALO CSc1nnc(C[N@H+](C)Cc2cc3ccccc3s2)n1C[C@@H]1CCCO1 ZINC000014977562 207036613 /nfs/dbraw/zinc/03/66/13/207036613.db2.gz FDFQHBDRPUFYSU-HNNXBMFYSA-N 1 2 388.562 4.026 50 0 GIAALO CSc1nnc(C[N@@H+](C)Cc2cc3ccccc3s2)n1C[C@@H]1CCCO1 ZINC000014977562 207036617 /nfs/dbraw/zinc/03/66/17/207036617.db2.gz FDFQHBDRPUFYSU-HNNXBMFYSA-N 1 2 388.562 4.026 50 0 GIAALO COc1cc(-c2nc(C[N@@H+]3CCC[C@H]3c3nccs3)c(C)o2)cc2c1OCO2 ZINC000015074957 207046075 /nfs/dbraw/zinc/04/60/75/207046075.db2.gz LPFGWIXGIDINTO-HNNXBMFYSA-N 1 2 399.472 4.181 50 0 GIAALO COc1cc(-c2nc(C[N@H+]3CCC[C@H]3c3nccs3)c(C)o2)cc2c1OCO2 ZINC000015074957 207046077 /nfs/dbraw/zinc/04/60/77/207046077.db2.gz LPFGWIXGIDINTO-HNNXBMFYSA-N 1 2 399.472 4.181 50 0 GIAALO O=C(/C=C/c1cccs1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015195897 207047964 /nfs/dbraw/zinc/04/79/64/207047964.db2.gz LZMLIRLKXRKCJS-BQYQJAHWSA-N 1 2 380.435 4.125 50 0 GIAALO O=C(CSc1ccncc1)Nc1ccccc1CCc1[nH]c2ccccc2[nH+]1 ZINC000015863738 207064900 /nfs/dbraw/zinc/06/49/00/207064900.db2.gz MFTGLFVRKYAQQN-UHFFFAOYSA-N 1 2 388.496 4.474 50 0 GIAALO Clc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 ZINC000019359600 207118343 /nfs/dbraw/zinc/11/83/43/207118343.db2.gz FZUYQCGZZMRDLF-UHFFFAOYSA-N 1 2 379.287 4.040 50 0 GIAALO CCc1ccc(C[N@@H+]2CCc3n[nH]c(COc4cccc(Cl)c4)c3C2)nc1 ZINC000019853887 207166809 /nfs/dbraw/zinc/16/68/09/207166809.db2.gz MKOBBTRPEDRIHR-UHFFFAOYSA-N 1 2 382.895 4.158 50 0 GIAALO CCc1ccc(C[N@H+]2CCc3n[nH]c(COc4cccc(Cl)c4)c3C2)nc1 ZINC000019853887 207166811 /nfs/dbraw/zinc/16/68/11/207166811.db2.gz MKOBBTRPEDRIHR-UHFFFAOYSA-N 1 2 382.895 4.158 50 0 GIAALO O=C(Cc1ccccc1)N1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019789441 207160731 /nfs/dbraw/zinc/16/07/31/207160731.db2.gz FGZKHXPHPITHRE-UHFFFAOYSA-N 1 2 386.495 4.366 50 0 GIAALO CCCn1c2ccccc2n(C[C@H](O)COc2ccc(Cl)cc2Cl)c1=[NH2+] ZINC000020264333 207185535 /nfs/dbraw/zinc/18/55/35/207185535.db2.gz AOZYVPVAAIZOAG-AWEZNQCLSA-N 1 2 394.302 4.079 50 0 GIAALO O=c1[nH]c(=S)n(-c2cccc(Cl)c2)c2c1C[N@H+](C1CCCCC1)CN2 ZINC000020437570 207191913 /nfs/dbraw/zinc/19/19/13/207191913.db2.gz YHMLSVZVPRVONI-UHFFFAOYSA-N 1 2 376.913 4.066 50 0 GIAALO O=c1[nH]c(=S)n(-c2cccc(Cl)c2)c2c1C[N@@H+](C1CCCCC1)CN2 ZINC000020437570 207191916 /nfs/dbraw/zinc/19/19/16/207191916.db2.gz YHMLSVZVPRVONI-UHFFFAOYSA-N 1 2 376.913 4.066 50 0 GIAALO CCSc1nc2sc3c(c2c2nncn21)CC[N@@H+](Cc1ccccc1)C3 ZINC000020841876 207215376 /nfs/dbraw/zinc/21/53/76/207215376.db2.gz UYDIHUFPRWVEOF-UHFFFAOYSA-N 1 2 381.530 4.009 50 0 GIAALO CCSc1nc2sc3c(c2c2nncn21)CC[N@H+](Cc1ccccc1)C3 ZINC000020841876 207215381 /nfs/dbraw/zinc/21/53/81/207215381.db2.gz UYDIHUFPRWVEOF-UHFFFAOYSA-N 1 2 381.530 4.009 50 0 GIAALO CC(C)Cn1c(C[N@@H+]2CCC[C@@H]2c2ccc(C(N)=O)s2)nc2ccccc21 ZINC000020684167 207210618 /nfs/dbraw/zinc/21/06/18/207210618.db2.gz GUGZQLHXCJNETB-QGZVFWFLSA-N 1 2 382.533 4.190 50 0 GIAALO CC(C)Cn1c(C[N@H+]2CCC[C@@H]2c2ccc(C(N)=O)s2)nc2ccccc21 ZINC000020684167 207210622 /nfs/dbraw/zinc/21/06/22/207210622.db2.gz GUGZQLHXCJNETB-QGZVFWFLSA-N 1 2 382.533 4.190 50 0 GIAALO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+]2CCc3sccc3C2)cs1 ZINC000021419963 207230361 /nfs/dbraw/zinc/23/03/61/207230361.db2.gz ZTWVLKNKIPKZHL-UHFFFAOYSA-N 1 2 395.553 4.127 50 0 GIAALO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+]2CCc3sccc3C2)cs1 ZINC000021419963 207230364 /nfs/dbraw/zinc/23/03/64/207230364.db2.gz ZTWVLKNKIPKZHL-UHFFFAOYSA-N 1 2 395.553 4.127 50 0 GIAALO CCOc1ccc(C[N@@H+]2CCc3nc(Nc4ccccc4)ncc3C2)cc1OC ZINC000021039108 207224188 /nfs/dbraw/zinc/22/41/88/207224188.db2.gz UCQOTKYAFRNHNI-UHFFFAOYSA-N 1 2 390.487 4.186 50 0 GIAALO CCOc1ccc(C[N@H+]2CCc3nc(Nc4ccccc4)ncc3C2)cc1OC ZINC000021039108 207224192 /nfs/dbraw/zinc/22/41/92/207224192.db2.gz UCQOTKYAFRNHNI-UHFFFAOYSA-N 1 2 390.487 4.186 50 0 GIAALO CCOc1ccc(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)cc1 ZINC000021639568 207232996 /nfs/dbraw/zinc/23/29/96/207232996.db2.gz FUEHEBSBHCQGSL-UHFFFAOYSA-N 1 2 396.441 4.455 50 0 GIAALO CCOc1ccc(C[N@H+]2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)cc1 ZINC000021639568 207233000 /nfs/dbraw/zinc/23/30/00/207233000.db2.gz FUEHEBSBHCQGSL-UHFFFAOYSA-N 1 2 396.441 4.455 50 0 GIAALO Cc1ccc(-c2nc(C[NH+]3CCC(C(=O)Nc4ccccc4C)CC3)no2)cc1 ZINC000021724255 207236805 /nfs/dbraw/zinc/23/68/05/207236805.db2.gz ASUSTVNGGJSRMP-UHFFFAOYSA-N 1 2 390.487 4.204 50 0 GIAALO Cc1ccc2c(CC(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(F)cc3)coc2c1C ZINC000022195599 207248516 /nfs/dbraw/zinc/24/85/16/207248516.db2.gz MJADENMUIIDFDC-OAQYLSRUSA-N 1 2 391.446 4.371 50 0 GIAALO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc2c(cccc2F)s1 ZINC000022972401 207267072 /nfs/dbraw/zinc/26/70/72/207267072.db2.gz OHTVHEPXEUHEPZ-UHFFFAOYSA-N 1 2 379.460 4.258 50 0 GIAALO Cc1c2cccc(F)c2oc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000023819726 207282379 /nfs/dbraw/zinc/28/23/79/207282379.db2.gz HWMZEZXFZRSSBC-RMKNXTFCSA-N 1 2 378.447 4.352 50 0 GIAALO O=C(c1ccccc1Nc1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023735863 207283289 /nfs/dbraw/zinc/28/32/89/207283289.db2.gz VNYASVQTBQIJRZ-UHFFFAOYSA-N 1 2 377.513 4.450 50 0 GIAALO COc1cccc([C@@H](NC(=O)/C=C/c2ccc(F)c(Cl)c2)c2[nH+]ccn2C)c1 ZINC000024018807 207286478 /nfs/dbraw/zinc/28/64/78/207286478.db2.gz VWVRYWIOQKZCBC-FHVRUZERSA-N 1 2 399.853 4.140 50 0 GIAALO C[N@H+](Cc1cccs1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000023479798 207278192 /nfs/dbraw/zinc/27/81/92/207278192.db2.gz UEBKSZRCGCDKNO-UHFFFAOYSA-N 1 2 385.489 4.484 50 0 GIAALO C[N@@H+](Cc1cccs1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000023479798 207278196 /nfs/dbraw/zinc/27/81/96/207278196.db2.gz UEBKSZRCGCDKNO-UHFFFAOYSA-N 1 2 385.489 4.484 50 0 GIAALO Cc1cc(N)nc(SCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)[nH+]1 ZINC000024841073 207295649 /nfs/dbraw/zinc/29/56/49/207295649.db2.gz LEIFFAMBBKXYKH-UHFFFAOYSA-N 1 2 399.545 4.147 50 0 GIAALO Cc1cc2[nH+]cn(CC3CCN(C(=O)c4cccc(N(C)C)c4)CC3)c2cc1C ZINC000038488447 207306569 /nfs/dbraw/zinc/30/65/69/207306569.db2.gz MZKGTPRMWSUDGZ-UHFFFAOYSA-N 1 2 390.531 4.272 50 0 GIAALO Cc1[nH+]c2ccccc2n1CC1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000038534876 207308738 /nfs/dbraw/zinc/30/87/38/207308738.db2.gz WNAFLKRFRCZBKF-KRWDZBQOSA-N 1 2 377.488 4.051 50 0 GIAALO C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025329472 207302744 /nfs/dbraw/zinc/30/27/44/207302744.db2.gz UCJHZZIMYNJTSR-AUUYWEPGSA-N 1 2 393.314 4.185 50 0 GIAALO O=C(OCc1cc(-c2ccc(F)cc2F)on1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038767140 207319554 /nfs/dbraw/zinc/31/95/54/207319554.db2.gz INKJJLFMCYYHMU-UHFFFAOYSA-N 1 2 395.365 4.222 50 0 GIAALO CC[N@H+](CCCNC(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000040069019 207336193 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CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3ccc(F)cc3)c2C1 ZINC000012848633 570265635 /nfs/dbraw/zinc/26/56/35/570265635.db2.gz JUGNQQWKKRPAFN-HNNXBMFYSA-N 1 2 377.463 4.243 50 0 GIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3ccc(F)cc3)c2C1 ZINC000012848633 570265638 /nfs/dbraw/zinc/26/56/38/570265638.db2.gz JUGNQQWKKRPAFN-HNNXBMFYSA-N 1 2 377.463 4.243 50 0 GIAALO CCCOc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3c(=O)[nH]2)cc1OCCC ZINC000049580998 570271144 /nfs/dbraw/zinc/27/11/44/570271144.db2.gz ADXOHNIVRGYDCO-MRXNPFEDSA-N 1 2 395.503 4.352 50 0 GIAALO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCO2)cc1 ZINC000034691255 570296105 /nfs/dbraw/zinc/29/61/05/570296105.db2.gz NNGFHTZZKINQTD-QHCPKHFHSA-N 1 2 398.522 4.133 50 0 GIAALO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCO2)cc1 ZINC000034691255 570296106 /nfs/dbraw/zinc/29/61/06/570296106.db2.gz NNGFHTZZKINQTD-QHCPKHFHSA-N 1 2 398.522 4.133 50 0 GIAALO Cc1ccc(C(=O)N[C@H]2CCN(c3[nH+]c4ccccc4n3C3CCCC3)C2)cc1 ZINC000034907205 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C[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575619739 570368499 /nfs/dbraw/zinc/36/84/99/570368499.db2.gz KTGHONYLQNSZHT-OAHLLOKOSA-N 1 2 379.435 4.432 50 0 GIAALO Cc1[nH+]c2ccccc2n1Cc1ccc(C(=O)NCCc2ccc(F)cc2)o1 ZINC000035597059 570399658 /nfs/dbraw/zinc/39/96/58/570399658.db2.gz LJACEYYJCCZOCZ-UHFFFAOYSA-N 1 2 377.419 4.098 50 0 GIAALO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000033106425 570402305 /nfs/dbraw/zinc/40/23/05/570402305.db2.gz UETPRMVTRNSNPJ-UHFFFAOYSA-N 1 2 377.492 4.027 50 0 GIAALO Cc1nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)c(C(C)C)c(C)[nH+]1 ZINC000006417753 570405834 /nfs/dbraw/zinc/40/58/34/570405834.db2.gz PNRNGDIZSISVQN-UHFFFAOYSA-N 1 2 394.563 4.477 50 0 GIAALO COC(=O)c1ccc2c(c1)nc(C[N@H+](C)[C@@H](C)c1cc3ccccc3o1)[nH]c2=O ZINC000013012145 570417624 /nfs/dbraw/zinc/41/76/24/570417624.db2.gz QWZFUKVDFQNULE-ZDUSSCGKSA-N 1 2 391.427 4.061 50 0 GIAALO COC(=O)c1ccc2c(c1)nc(C[N@@H+](C)[C@@H](C)c1cc3ccccc3o1)[nH]c2=O ZINC000013012145 570417625 /nfs/dbraw/zinc/41/76/25/570417625.db2.gz QWZFUKVDFQNULE-ZDUSSCGKSA-N 1 2 391.427 4.061 50 0 GIAALO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C(C)=O)s1)c1ccccc1Cl ZINC000013022123 570419244 /nfs/dbraw/zinc/41/92/44/570419244.db2.gz JXMYRKPUVQQNBU-INIZCTEOSA-N 1 2 378.925 4.417 50 0 GIAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000239274622 570428787 /nfs/dbraw/zinc/42/87/87/570428787.db2.gz ALPVPVGQMKFUTN-BEFAXECRSA-N 1 2 391.471 4.395 50 0 GIAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000239274622 570428788 /nfs/dbraw/zinc/42/87/88/570428788.db2.gz ALPVPVGQMKFUTN-BEFAXECRSA-N 1 2 391.471 4.395 50 0 GIAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2ccccc2F)o1 ZINC000131057786 570465270 /nfs/dbraw/zinc/46/52/70/570465270.db2.gz BHBDGPPIBNORCF-UHFFFAOYSA-N 1 2 380.419 4.170 50 0 GIAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000002709718 570506599 /nfs/dbraw/zinc/50/65/99/570506599.db2.gz FCEZHFTVDRLEJQ-FQEVSTJZSA-N 1 2 386.451 4.016 50 0 GIAALO c1coc(-c2oc3ncnc(NCCCn4cc[nH+]c4)c3c2-c2ccco2)c1 ZINC000005209267 570506956 /nfs/dbraw/zinc/50/69/56/570506956.db2.gz PKJSJVWIBJFUJG-UHFFFAOYSA-N 1 2 375.388 4.442 50 0 GIAALO Cc1nc(CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)cs1 ZINC000005280652 570549456 /nfs/dbraw/zinc/54/94/56/570549456.db2.gz KVBGOAVVBPGBBF-NSHDSACASA-N 1 2 377.514 4.086 50 0 GIAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(F)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000022853923 570557034 /nfs/dbraw/zinc/55/70/34/570557034.db2.gz LDJNMJUIQVWPEF-IIYDPXPESA-N 1 2 388.512 4.265 50 0 GIAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000022853923 570557037 /nfs/dbraw/zinc/55/70/37/570557037.db2.gz LDJNMJUIQVWPEF-IIYDPXPESA-N 1 2 388.512 4.265 50 0 GIAALO O=C(c1ccc(-c2ccccc2Cl)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000036353240 570563245 /nfs/dbraw/zinc/56/32/45/570563245.db2.gz ZZPNWDUUQAPTEO-UHFFFAOYSA-N 1 2 383.904 4.426 50 0 GIAALO O=C(NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000022906900 570563467 /nfs/dbraw/zinc/56/34/67/570563467.db2.gz DMWDQGXHJWRGSC-HXUWFJFHSA-N 1 2 380.875 4.462 50 0 GIAALO O=C(NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000022906900 570563472 /nfs/dbraw/zinc/56/34/72/570563472.db2.gz DMWDQGXHJWRGSC-HXUWFJFHSA-N 1 2 380.875 4.462 50 0 GIAALO O=C(CCc1cn2ccccc2[nH+]1)N1CCC[C@@H](CCc2ccccc2F)C1 ZINC000011663439 570577814 /nfs/dbraw/zinc/57/78/14/570577814.db2.gz QPHFRBGXHHTPPS-SFHVURJKSA-N 1 2 379.479 4.277 50 0 GIAALO Oc1cccc(C[N@H+]2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)c1 ZINC000011786744 570582561 /nfs/dbraw/zinc/58/25/61/570582561.db2.gz AURPIKYRCLIGRC-QHCPKHFHSA-N 1 2 375.468 4.063 50 0 GIAALO Oc1cccc(C[N@@H+]2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)c1 ZINC000011786744 570582562 /nfs/dbraw/zinc/58/25/62/570582562.db2.gz AURPIKYRCLIGRC-QHCPKHFHSA-N 1 2 375.468 4.063 50 0 GIAALO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CC=C(c2cccnc2)CC1 ZINC000225559317 570588368 /nfs/dbraw/zinc/58/83/68/570588368.db2.gz GCCDGTQGKBNYKM-HNNXBMFYSA-N 1 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570625565 /nfs/dbraw/zinc/62/55/65/570625565.db2.gz JTFIDNLHVNXEQZ-OAQYLSRUSA-N 1 2 392.478 4.312 50 0 GIAALO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000012307935 570639881 /nfs/dbraw/zinc/63/98/81/570639881.db2.gz MNBHDQAEJQRTOL-OAQYLSRUSA-N 1 2 388.471 4.262 50 0 GIAALO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000012307935 570639883 /nfs/dbraw/zinc/63/98/83/570639883.db2.gz MNBHDQAEJQRTOL-OAQYLSRUSA-N 1 2 388.471 4.262 50 0 GIAALO CCNC(=O)c1ccc(CSc2nc(N3CCCC[C@H]3C)cc(CC)[nH+]2)cc1 ZINC000006869089 570656536 /nfs/dbraw/zinc/65/65/36/570656536.db2.gz ITQCCSHJRNKMOC-MRXNPFEDSA-N 1 2 398.576 4.460 50 0 GIAALO Cc1ccc2c(c1)c1c3n2CC[N@H+](C[C@@H](O)COc2ccccc2)[C@@H]3CCC1 ZINC000012436872 570662611 /nfs/dbraw/zinc/66/26/11/570662611.db2.gz KBIFTPPLPSKXQS-WZONZLPQSA-N 1 2 376.500 4.083 50 0 GIAALO Cc1ccc2c(c1)c1c3n2CC[N@@H+](C[C@@H](O)COc2ccccc2)[C@@H]3CCC1 ZINC000012436872 570662613 /nfs/dbraw/zinc/66/26/13/570662613.db2.gz KBIFTPPLPSKXQS-WZONZLPQSA-N 1 2 376.500 4.083 50 0 GIAALO Cc1cccc(-c2noc(C[N@@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)n2)c1 ZINC000055036556 570679572 /nfs/dbraw/zinc/67/95/72/570679572.db2.gz XAICUSKPXXEMNW-UHFFFAOYSA-N 1 2 377.423 4.206 50 0 GIAALO Cc1cccc(-c2noc(C[N@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)n2)c1 ZINC000055036556 570679574 /nfs/dbraw/zinc/67/95/74/570679574.db2.gz XAICUSKPXXEMNW-UHFFFAOYSA-N 1 2 377.423 4.206 50 0 GIAALO COc1cc(OC)cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cc[nH+]c2)c1 ZINC000005660257 570684773 /nfs/dbraw/zinc/68/47/73/570684773.db2.gz GKTJHKNMEZAFQY-UHFFFAOYSA-N 1 2 391.349 4.161 50 0 GIAALO CN(CCCc1[nH+]ccn1C)C(=O)C[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000055281079 570689589 /nfs/dbraw/zinc/68/95/89/570689589.db2.gz XCLNOAANEGISNT-NRFANRHFSA-N 1 2 379.479 4.172 50 0 GIAALO Cc1ccsc1CNc1ccccc1C(=O)N(Cc1[nH+]ccn1C)C1CC1 ZINC000055358416 570692255 /nfs/dbraw/zinc/69/22/55/570692255.db2.gz QMQOECCYMHGXDJ-UHFFFAOYSA-N 1 2 380.517 4.207 50 0 GIAALO C[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000004626089 570703389 /nfs/dbraw/zinc/70/33/89/570703389.db2.gz JHLPBFOWDHHRBC-CYBMUJFWSA-N 1 2 393.830 4.123 50 0 GIAALO O=c1[nH]c(C[NH+]2CCC(c3nc4ccccc4s3)CC2)nc2ccsc21 ZINC000036440950 570708990 /nfs/dbraw/zinc/70/89/90/570708990.db2.gz KKDLDOJSFJQAQH-UHFFFAOYSA-N 1 2 382.514 4.386 50 0 GIAALO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1ccc(-c2ccccc2Cl)o1 ZINC000058144529 570711019 /nfs/dbraw/zinc/71/10/19/570711019.db2.gz QDCURPXEASPDQQ-UHFFFAOYSA-N 1 2 378.819 4.111 50 0 GIAALO COc1ccc(C(=O)NCc2c(C)cc(C)[nH+]c2-c2ccc(OC)cc2)cc1 ZINC000065171149 570720458 /nfs/dbraw/zinc/72/04/58/570720458.db2.gz RDACQIKDDQHCMN-UHFFFAOYSA-N 1 2 376.456 4.313 50 0 GIAALO Nc1nc(C[N@@H+]2CCC[C@H]2c2cccs2)nc(Nc2ccc(Cl)cc2)n1 ZINC000012981491 570735952 /nfs/dbraw/zinc/73/59/52/570735952.db2.gz LNQCRAFKSLUFMY-AWEZNQCLSA-N 1 2 386.912 4.249 50 0 GIAALO Nc1nc(C[N@H+]2CCC[C@H]2c2cccs2)nc(Nc2ccc(Cl)cc2)n1 ZINC000012981491 570735953 /nfs/dbraw/zinc/73/59/53/570735953.db2.gz LNQCRAFKSLUFMY-AWEZNQCLSA-N 1 2 386.912 4.249 50 0 GIAALO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012983095 570736699 /nfs/dbraw/zinc/73/66/99/570736699.db2.gz PSFIPVDGBIKICC-UHFFFAOYSA-N 1 2 395.503 4.216 50 0 GIAALO COc1ccccc1CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000032691320 570742363 /nfs/dbraw/zinc/74/23/63/570742363.db2.gz ARMSKVFOKHXKPR-AWEZNQCLSA-N 1 2 386.496 4.330 50 0 GIAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000052537377 570752445 /nfs/dbraw/zinc/75/24/45/570752445.db2.gz AAFWOAWIKAWFFX-UHFFFAOYSA-N 1 2 398.721 4.408 50 0 GIAALO Cc1ccccc1/N=c1\scc(-c2ccccc2)n1CCC[NH+]1CCOCC1 ZINC000013517253 570756330 /nfs/dbraw/zinc/75/63/30/570756330.db2.gz SUMDDEKXRLABGD-VHXPQNKSSA-N 1 2 393.556 4.480 50 0 GIAALO CCc1[nH]c(C)c(-c2c(-c3ccccc3)ncn2Cc2noc(C(C)C)n2)[nH+]1 ZINC000065407844 570766961 /nfs/dbraw/zinc/76/69/61/570766961.db2.gz ACAPQGXADWWCCF-UHFFFAOYSA-N 1 2 376.464 4.366 50 0 GIAALO c1[nH+]c(-c2ccccc2)c([C@H]2CCOC2)n1Cc1ccc2c(c1)OCCCO2 ZINC000065455946 570768883 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CCc1ncc(C[N@H+]2CCOc3c(O)cc(-c4ccccc4C)cc3C2)cn1 ZINC000067879718 570795858 /nfs/dbraw/zinc/79/58/58/570795858.db2.gz YPPMRYVDCRLTDL-UHFFFAOYSA-N 1 2 375.472 4.115 50 0 GIAALO CC[C@@H](c1nnc(SCc2c(C)noc2C)n1Cc1ccccc1)[NH+](C)C ZINC000004494485 570810832 /nfs/dbraw/zinc/81/08/32/570810832.db2.gz RTQNKKSWFSUDJF-SFHVURJKSA-N 1 2 385.537 4.236 50 0 GIAALO C[C@H](c1nnc(SCCOc2ccccc2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004500391 570814437 /nfs/dbraw/zinc/81/44/37/570814437.db2.gz HDIBKXMEPJEBJI-OAHLLOKOSA-N 1 2 386.496 4.200 50 0 GIAALO Cc1nc(-c2ccsc2)sc1C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000007256575 570821304 /nfs/dbraw/zinc/82/13/04/570821304.db2.gz SJFVAQLBPMUMEZ-UHFFFAOYSA-N 1 2 382.514 4.268 50 0 GIAALO CCCCCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000012525104 570830145 /nfs/dbraw/zinc/83/01/45/570830145.db2.gz RGROFROGZRXOQD-MRXNPFEDSA-N 1 2 393.487 4.375 50 0 GIAALO CCSc1[nH+]ccc2c1ccn2CC(=O)NCc1ccccc1C(F)(F)F ZINC000033172295 570836788 /nfs/dbraw/zinc/83/67/88/570836788.db2.gz 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/nfs/dbraw/zinc/30/29/72/207302972.db2.gz DPHBPMMFISGOCJ-UHFFFAOYSA-N 1 2 388.496 4.427 50 0 GIAALO C[C@@H](NC(=S)Nc1ccc(Cl)cc1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000025329127 207303143 /nfs/dbraw/zinc/30/31/43/207303143.db2.gz CLGNJYBKBDTBQV-DNVCBOLYSA-N 1 2 389.952 4.088 50 0 GIAALO COc1ccc2oc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(C)c2c1 ZINC000025686546 207305612 /nfs/dbraw/zinc/30/56/12/207305612.db2.gz WTADCFBBAFSDDQ-RMKNXTFCSA-N 1 2 390.483 4.221 50 0 GIAALO COc1ccc([C@@H]([NH2+][C@@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccccc2)cc1 ZINC000025665348 207305680 /nfs/dbraw/zinc/30/56/80/207305680.db2.gz PCGVEKCPEMMSQT-AOMKIAJQSA-N 1 2 385.467 4.372 50 0 GIAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nccn2Cc2ccccc2)c(OC)c1 ZINC000026908120 207321481 /nfs/dbraw/zinc/32/14/81/207321481.db2.gz ZRKFGQCTXKXTOP-NRFANRHFSA-N 1 2 377.488 4.286 50 0 GIAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nccn2Cc2ccccc2)c(OC)c1 ZINC000026908120 207321486 /nfs/dbraw/zinc/32/14/86/207321486.db2.gz ZRKFGQCTXKXTOP-NRFANRHFSA-N 1 2 377.488 4.286 50 0 GIAALO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000027553646 207326765 /nfs/dbraw/zinc/32/67/65/207326765.db2.gz GWHLRGLANJHOEU-ZDUSSCGKSA-N 1 2 396.409 4.182 50 0 GIAALO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000027553646 207326768 /nfs/dbraw/zinc/32/67/68/207326768.db2.gz GWHLRGLANJHOEU-ZDUSSCGKSA-N 1 2 396.409 4.182 50 0 GIAALO CCCOc1ccc(/C=C/C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)cc1 ZINC000040141602 207348613 /nfs/dbraw/zinc/34/86/13/207348613.db2.gz UEIICLRHOUGDJO-YUWCZGPHSA-N 1 2 393.462 4.267 50 0 GIAALO COc1ccc([C@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c2[nH+]ccn2C)cc1 ZINC000029132299 207355734 /nfs/dbraw/zinc/35/57/34/207355734.db2.gz RVXLPNKYQYRJBY-NRFANRHFSA-N 1 2 388.471 4.046 50 0 GIAALO Cc1nc2ccc(Cl)cc2cc1C(=O)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000029687051 207366056 /nfs/dbraw/zinc/36/60/56/207366056.db2.gz BWVSBGDKLDOLTR-UHFFFAOYSA-N 1 2 397.881 4.294 50 0 GIAALO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000030004827 207370026 /nfs/dbraw/zinc/37/00/26/207370026.db2.gz NOJOENVUKCDENC-ZDUSSCGKSA-N 1 2 387.423 4.182 50 0 GIAALO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000030004827 207370028 /nfs/dbraw/zinc/37/00/28/207370028.db2.gz NOJOENVUKCDENC-ZDUSSCGKSA-N 1 2 387.423 4.182 50 0 GIAALO C[C@]1(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1(Cl)Cl ZINC000031894685 207389650 /nfs/dbraw/zinc/38/96/50/207389650.db2.gz SHFLRDUDFIPFDP-CZUORRHYSA-N 1 2 393.717 4.316 50 0 GIAALO C[C@@H]1c2cccc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c2O[C@H]1C ZINC000032820116 207411064 /nfs/dbraw/zinc/41/10/64/207411064.db2.gz JNLKBNXZHXQAPO-RJHNKFTKSA-N 1 2 376.500 4.042 50 0 GIAALO Cc1ccc(C(=O)N2CCC(n3cc[nH+]c3-c3ccc4c(c3)OCO4)CC2)cc1 ZINC000072436272 208024200 /nfs/dbraw/zinc/02/42/00/208024200.db2.gz HOCRPWIRWHRCDK-UHFFFAOYSA-N 1 2 389.455 4.065 50 0 GIAALO CC[C@@H]1COCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F ZINC000072475686 208031217 /nfs/dbraw/zinc/03/12/17/208031217.db2.gz AKORHXHPANYTOM-GOSISDBHSA-N 1 2 395.478 4.298 50 0 GIAALO CC[C@@H]1COCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F ZINC000072475686 208031224 /nfs/dbraw/zinc/03/12/24/208031224.db2.gz AKORHXHPANYTOM-GOSISDBHSA-N 1 2 395.478 4.298 50 0 GIAALO O=C(C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1)NCCc1ccc(OC(F)F)cc1 ZINC000078970721 208067205 /nfs/dbraw/zinc/06/72/05/208067205.db2.gz XXIOHKBFUBRULE-SFHVURJKSA-N 1 2 394.849 4.047 50 0 GIAALO O=C(C[N@H+]1CC[C@H]1c1ccc(Cl)cc1)NCCc1ccc(OC(F)F)cc1 ZINC000078970721 208067213 /nfs/dbraw/zinc/06/72/13/208067213.db2.gz XXIOHKBFUBRULE-SFHVURJKSA-N 1 2 394.849 4.047 50 0 GIAALO CSc1ccc(-c2ccc(=O)n(C[N@@H+]3CC[C@@H](c4ccccc4)C3)n2)cc1 ZINC000079484721 208074993 /nfs/dbraw/zinc/07/49/93/208074993.db2.gz SNFQZWRZBZVBRL-LJQANCHMSA-N 1 2 377.513 4.079 50 0 GIAALO CSc1ccc(-c2ccc(=O)n(C[N@H+]3CC[C@@H](c4ccccc4)C3)n2)cc1 ZINC000079484721 208074999 /nfs/dbraw/zinc/07/49/99/208074999.db2.gz SNFQZWRZBZVBRL-LJQANCHMSA-N 1 2 377.513 4.079 50 0 GIAALO CCCCn1cc[nH+]c1C1CCN(C(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000091625457 208129624 /nfs/dbraw/zinc/12/96/24/208129624.db2.gz UHALLOZOUUVSBR-UHFFFAOYSA-N 1 2 375.900 4.365 50 0 GIAALO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[N@@H+]1Cc1cncs1 ZINC000095505950 208207806 /nfs/dbraw/zinc/20/78/06/208207806.db2.gz FVBWNYNIVOLJGB-IBGZPJMESA-N 1 2 394.500 4.324 50 0 GIAALO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[N@H+]1Cc1cncs1 ZINC000095505950 208207811 /nfs/dbraw/zinc/20/78/11/208207811.db2.gz FVBWNYNIVOLJGB-IBGZPJMESA-N 1 2 394.500 4.324 50 0 GIAALO O=C(c1ccc2cc[nH]c2c1)N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095508600 208209375 /nfs/dbraw/zinc/20/93/75/208209375.db2.gz IGAKPJVWSUZHHU-UHFFFAOYSA-N 1 2 384.483 4.433 50 0 GIAALO Cc1ccc(-c2ncco2)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000095444055 208183495 /nfs/dbraw/zinc/18/34/95/208183495.db2.gz OVOYADIRGSWVOJ-HXUWFJFHSA-N 1 2 393.512 4.379 50 0 GIAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c(C)oc3c2C(=O)CCC3)C1 ZINC000095522855 208222116 /nfs/dbraw/zinc/22/21/16/208222116.db2.gz MOHPECLOLUUHBF-MRXNPFEDSA-N 1 2 383.492 4.123 50 0 GIAALO Cc1ccccc1[C@]1(O)CCN(C(=O)Nc2ccc3[nH]c(C(C)C)[nH+]c3c2)C1 ZINC000096150102 208276947 /nfs/dbraw/zinc/27/69/47/208276947.db2.gz IMKRHNPTKFJTJL-QFIPXVFZSA-N 1 2 378.476 4.120 50 0 GIAALO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(OC)ccc3Cl)c2C1 ZINC000095958557 208245152 /nfs/dbraw/zinc/24/51/52/208245152.db2.gz YEQLQLBKNNTXCB-UHFFFAOYSA-N 1 2 394.924 4.265 50 0 GIAALO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(OC)ccc3Cl)c2C1 ZINC000095958557 208245159 /nfs/dbraw/zinc/24/51/59/208245159.db2.gz YEQLQLBKNNTXCB-UHFFFAOYSA-N 1 2 394.924 4.265 50 0 GIAALO CCCSc1ccccc1NC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000096131133 208266451 /nfs/dbraw/zinc/26/64/51/208266451.db2.gz VDMDEQDFGOZYNC-UHFFFAOYSA-N 1 2 385.533 4.244 50 0 GIAALO COc1cccc2cc(/C=C\C(=O)NCc3ccccc3Cn3cc[nH+]c3)oc21 ZINC000096936929 208332442 /nfs/dbraw/zinc/33/24/42/208332442.db2.gz PTNJCKAEXPYNNU-KTKRTIGZSA-N 1 2 387.439 4.016 50 0 GIAALO CC(C)c1ncc(C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000097288749 208342552 /nfs/dbraw/zinc/34/25/52/208342552.db2.gz HRDBUWYRPCZOKT-UHFFFAOYSA-N 1 2 377.492 4.180 50 0 GIAALO Cc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097822993 208364316 /nfs/dbraw/zinc/36/43/16/208364316.db2.gz WUTTWDZLNPFSMT-LJQANCHMSA-N 1 2 375.472 4.207 50 0 GIAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(Cl)cc1C(F)(F)F)C2 ZINC000184508556 208796698 /nfs/dbraw/zinc/79/66/98/208796698.db2.gz FPJDNDTXZCTDHZ-UHFFFAOYSA-N 1 2 385.817 4.414 50 0 GIAALO COc1ccc(-c2nnc(SCc3[nH+]ccn3C)n2-c2ccc(C)cc2)cc1 ZINC000058018222 208854136 /nfs/dbraw/zinc/85/41/36/208854136.db2.gz ZQGHNQTYJUUXHA-UHFFFAOYSA-N 1 2 391.500 4.277 50 0 GIAALO C[C@@H](c1nnc(-c2cccs2)o1)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000096124638 209011867 /nfs/dbraw/zinc/01/18/67/209011867.db2.gz QFPANTBGYGKXLL-LBPRGKRZSA-N 1 2 394.953 4.392 50 0 GIAALO c1cc(-c2nc3ccccc3c(Nc3ccc(N4CCOCC4)[nH+]c3)n2)cs1 ZINC000012734705 136200613 /nfs/dbraw/zinc/20/06/13/136200613.db2.gz SGDNVMVZMIWZFM-UHFFFAOYSA-N 1 2 389.484 4.334 50 0 GIAALO CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1 ZINC000072314311 222226382 /nfs/dbraw/zinc/22/63/82/222226382.db2.gz AKIAACUBNYIMFF-IBGZPJMESA-N 1 2 397.523 4.431 50 0 GIAALO Cc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(N4CCCC4=O)cc3)n2)cc1F ZINC000012763010 525883582 /nfs/dbraw/zinc/88/35/82/525883582.db2.gz AJQIEKIINXIXLQ-OAHLLOKOSA-N 1 2 394.450 4.162 50 0 GIAALO CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](c3[nH+]ccn3C)C3CC3)cc2)s1 ZINC000426647424 527219335 /nfs/dbraw/zinc/21/93/35/527219335.db2.gz YICNULOWMTWYDN-IBGZPJMESA-N 1 2 379.485 4.232 50 0 GIAALO CCCN(CC(=O)Nc1ccccc1C)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000135446374 570242142 /nfs/dbraw/zinc/24/21/42/570242142.db2.gz OBQHOIKHZSIJFI-UHFFFAOYSA-N 1 2 375.476 4.011 50 0 GIAALO C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000049787874 570272516 /nfs/dbraw/zinc/27/25/16/570272516.db2.gz UHPQWFXFJUPALJ-CYBMUJFWSA-N 1 2 393.318 4.418 50 0 GIAALO C[N@H+](Cc1ccc(-c2ccc(Br)cc2)o1)[C@H](C(N)=O)c1ccccc1 ZINC000012902677 570287975 /nfs/dbraw/zinc/28/79/75/570287975.db2.gz LCVUSCKMTQFLPD-IBGZPJMESA-N 1 2 399.288 4.368 50 0 GIAALO C[N@@H+](Cc1ccc(-c2ccc(Br)cc2)o1)[C@H](C(N)=O)c1ccccc1 ZINC000012902677 570287978 /nfs/dbraw/zinc/28/79/78/570287978.db2.gz LCVUSCKMTQFLPD-IBGZPJMESA-N 1 2 399.288 4.368 50 0 GIAALO Cc1ccc(-n2cc(C[N@@H+]3CCN(C)[C@@H](C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000106948837 570307480 /nfs/dbraw/zinc/30/74/80/570307480.db2.gz BVZILWMMTCOXFM-SFHVURJKSA-N 1 2 378.495 4.123 50 0 GIAALO Cc1ccc(-n2cc(C[N@H+]3CCN(C)[C@@H](C)C3)c(-c3ccc(F)cc3)n2)cc1 ZINC000106948837 570307482 /nfs/dbraw/zinc/30/74/82/570307482.db2.gz BVZILWMMTCOXFM-SFHVURJKSA-N 1 2 378.495 4.123 50 0 GIAALO c1cc(-c2nc(C[NH+]3CCN(c4cnc5ccccc5n4)CC3)cs2)cs1 ZINC000026140891 570309741 /nfs/dbraw/zinc/30/97/41/570309741.db2.gz PVVWDPDIWJZAHT-UHFFFAOYSA-N 1 2 393.541 4.137 50 0 GIAALO Cc1ccc2c(c1)N(C(=O)C[NH+]1CCN(c3ccccc3)CC1)C(C)(C)C=C2C ZINC000575473010 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Cc1ccccc1[C@]1(CC(=O)NCc2c[nH+]cn2C2CC2)CCOC(C)(C)C1 ZINC000426382867 231211481 /nfs/dbraw/zinc/21/14/81/231211481.db2.gz COCSNZWVCYYAED-QHCPKHFHSA-N 1 2 381.520 4.060 50 0 GIAALO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccccc1Br ZINC000023732163 206298252 /nfs/dbraw/zinc/29/82/52/206298252.db2.gz HFZFZFHLXTWEHN-SNVBAGLBSA-N 1 2 392.684 4.190 50 0 GIAALO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000000757148 206320284 /nfs/dbraw/zinc/32/02/84/206320284.db2.gz ODKZXYALXZXFGA-HXUWFJFHSA-N 1 2 383.488 4.192 50 0 GIAALO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000000757148 206320289 /nfs/dbraw/zinc/32/02/89/206320289.db2.gz ODKZXYALXZXFGA-HXUWFJFHSA-N 1 2 383.488 4.192 50 0 GIAALO Cc1cccc(C)c1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000000882840 206330197 /nfs/dbraw/zinc/33/01/97/206330197.db2.gz ZFXGUXJXVWYDGP-UHFFFAOYSA-N 1 2 389.484 4.163 50 0 GIAALO CCOC(=O)c1c(NC(=O)C[NH+]2CCCCC2)sc(C)c1-c1ccccc1 ZINC000005048051 206587763 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50 0 GIAALO CSc1ccc(C[N@H+](C)Cn2nc(Cc3cccs3)n(C)c2=S)cc1 ZINC000014231842 207017113 /nfs/dbraw/zinc/01/71/13/207017113.db2.gz IZTRSYKMYJYDHZ-UHFFFAOYSA-N 1 2 390.603 4.415 50 0 GIAALO CSc1ccc(C[N@@H+](C)Cn2nc(Cc3cccs3)n(C)c2=S)cc1 ZINC000014231842 207017117 /nfs/dbraw/zinc/01/71/17/207017117.db2.gz IZTRSYKMYJYDHZ-UHFFFAOYSA-N 1 2 390.603 4.415 50 0 GIAALO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3nccs3)c(C)o2)c(OC)c1 ZINC000014980624 207038285 /nfs/dbraw/zinc/03/82/85/207038285.db2.gz RDXKLIHJPDVZFB-QGZVFWFLSA-N 1 2 385.489 4.461 50 0 GIAALO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3nccs3)c(C)o2)c(OC)c1 ZINC000014980624 207038291 /nfs/dbraw/zinc/03/82/91/207038291.db2.gz RDXKLIHJPDVZFB-QGZVFWFLSA-N 1 2 385.489 4.461 50 0 GIAALO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2nc(C)c[nH]2)c1 ZINC000015076314 207045807 /nfs/dbraw/zinc/04/58/07/207045807.db2.gz BLIVRBRFSRINMM-UHFFFAOYSA-N 1 2 387.487 4.211 50 0 GIAALO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)Cc2nc(C)c[nH]2)c1 ZINC000015076314 207045808 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CC(C)(C)c1ccc(-c2nc3ccccc3c(NCC[NH+]3CCOCC3)n2)cc1 ZINC000019912088 207170742 /nfs/dbraw/zinc/17/07/42/207170742.db2.gz LHMQXUBNININCQ-UHFFFAOYSA-N 1 2 390.531 4.338 50 0 GIAALO C[NH+](C)CN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000020265995 207187097 /nfs/dbraw/zinc/18/70/97/207187097.db2.gz QARTUNYDZGXNEY-UDWIEESQSA-N 1 2 391.496 4.245 50 0 GIAALO Cc1nn(C)cc1C[N@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000020321949 207187984 /nfs/dbraw/zinc/18/79/84/207187984.db2.gz DDJRSWSFRMIUJP-UHFFFAOYSA-N 1 2 378.398 4.343 50 0 GIAALO Cc1nn(C)cc1C[N@@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000020321949 207187988 /nfs/dbraw/zinc/18/79/88/207187988.db2.gz DDJRSWSFRMIUJP-UHFFFAOYSA-N 1 2 378.398 4.343 50 0 GIAALO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020352627 207188524 /nfs/dbraw/zinc/18/85/24/207188524.db2.gz DZIBFUYTCOFHEH-MBNRZODZSA-N 1 2 398.934 4.273 50 0 GIAALO Cc1ccccc1Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NC(C)C)CC1 ZINC000021160165 207227541 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GIAALO O=C(c1cc(C2CC2)nc2ccccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000023867075 207284898 /nfs/dbraw/zinc/28/48/98/207284898.db2.gz OKAOTMNJZPFBGE-UHFFFAOYSA-N 1 2 377.513 4.132 50 0 GIAALO O=C(c1ccc(COc2ccccc2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023994951 207285978 /nfs/dbraw/zinc/28/59/78/207285978.db2.gz SONNWDDSXQAFCF-UHFFFAOYSA-N 1 2 392.524 4.285 50 0 GIAALO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000012300071 207286224 /nfs/dbraw/zinc/28/62/24/207286224.db2.gz LORXXYLWKVJZGB-NRFANRHFSA-N 1 2 388.471 4.262 50 0 GIAALO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000012300071 207286229 /nfs/dbraw/zinc/28/62/29/207286229.db2.gz LORXXYLWKVJZGB-NRFANRHFSA-N 1 2 388.471 4.262 50 0 GIAALO Clc1cccc(Cl)c1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023477198 207278681 /nfs/dbraw/zinc/27/86/81/207278681.db2.gz XRFNOQRWIWZBOS-UHFFFAOYSA-N 1 2 379.287 4.040 50 0 GIAALO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc2ccccc2o1 ZINC000024821717 207296442 /nfs/dbraw/zinc/29/64/42/207296442.db2.gz CHUIJIQCHLMDFO-UHFFFAOYSA-N 1 2 377.366 4.307 50 0 GIAALO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc2ccccc2o1 ZINC000024821717 207296447 /nfs/dbraw/zinc/29/64/47/207296447.db2.gz CHUIJIQCHLMDFO-UHFFFAOYSA-N 1 2 377.366 4.307 50 0 GIAALO COc1ccc([C@@H]([NH2+][C@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccccc2)cc1 ZINC000025665361 207306125 /nfs/dbraw/zinc/30/61/25/207306125.db2.gz PCGVEKCPEMMSQT-ZHRRBRCNSA-N 1 2 385.467 4.372 50 0 GIAALO COc1ccc(CCC(=O)N2CCC(Cn3c(C)[nH+]c4ccccc43)CC2)cc1 ZINC000038534973 207308046 /nfs/dbraw/zinc/30/80/46/207308046.db2.gz LDBYMIMSXFVSAD-UHFFFAOYSA-N 1 2 391.515 4.225 50 0 GIAALO CC(C)[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2F)CC1)c1ccc(F)cc1 ZINC000025046654 207300438 /nfs/dbraw/zinc/30/04/38/207300438.db2.gz JJJLZWFHOJAHCT-OAQYLSRUSA-N 1 2 387.474 4.189 50 0 GIAALO Cc1cccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCOCC2)c1 ZINC000028290919 207339130 /nfs/dbraw/zinc/33/91/30/207339130.db2.gz SWNIWEGWKZCIIG-QFIPXVFZSA-N 1 2 380.532 4.096 50 0 GIAALO C[C@@H]([NH2+][C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000030282946 207370341 /nfs/dbraw/zinc/37/03/41/207370341.db2.gz PRXSLNLPJIDJFU-KUHUBIRLSA-N 1 2 393.314 4.244 50 0 GIAALO COc1cc2c(cc1OC)C[N@H+](Cc1c(C)nn(-c3ccccc3)c1Cl)CC2 ZINC000030676246 207373811 /nfs/dbraw/zinc/37/38/11/207373811.db2.gz HGHZSPDCKJHBOB-UHFFFAOYSA-N 1 2 397.906 4.410 50 0 GIAALO COc1cc2c(cc1OC)C[N@@H+](Cc1c(C)nn(-c3ccccc3)c1Cl)CC2 ZINC000030676246 207373816 /nfs/dbraw/zinc/37/38/16/207373816.db2.gz HGHZSPDCKJHBOB-UHFFFAOYSA-N 1 2 397.906 4.410 50 0 GIAALO C[C@@]1(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1(Cl)Cl ZINC000031894690 207389628 /nfs/dbraw/zinc/38/96/28/207389628.db2.gz SHFLRDUDFIPFDP-BBRMVZONSA-N 1 2 393.717 4.316 50 0 GIAALO O=C(/C=C/c1cccs1)N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000032524457 207397766 /nfs/dbraw/zinc/39/77/66/207397766.db2.gz YLWLKXQQLBDFJG-VOTSOKGWSA-N 1 2 380.435 4.125 50 0 GIAALO CCCN(C(=O)C[N@H+](C)Cc1cnn(Cc2ccccc2)c1)C1=CCCCC1 ZINC000032843158 207412870 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O=C1[C@H]2CC[C@H](C[N@H+](Cc3[nH]c4ccccc4c3Cl)C2)N1Cc1ccccc1 ZINC000095363676 208163939 /nfs/dbraw/zinc/16/39/39/208163939.db2.gz ABHBCIWQRFOAAM-ZWKOTPCHSA-N 1 2 393.918 4.444 50 0 GIAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(-c3cccc(F)c3)nc2)C1 ZINC000095507412 208207098 /nfs/dbraw/zinc/20/70/98/208207098.db2.gz CQEFJQVFSBOMCO-SFHVURJKSA-N 1 2 378.451 4.124 50 0 GIAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(OC(F)F)cc2)C1 ZINC000095510074 208209636 /nfs/dbraw/zinc/20/96/36/208209636.db2.gz YVPXTCFMKJESHL-INIZCTEOSA-N 1 2 377.435 4.304 50 0 GIAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1 ZINC000095390985 208180044 /nfs/dbraw/zinc/18/00/44/208180044.db2.gz CFUDFRQWHVPKLC-FQEVSTJZSA-N 1 2 380.536 4.303 50 0 GIAALO O=C(c1ccc(-n2cccc2)cc1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000095456438 208186372 /nfs/dbraw/zinc/18/63/72/208186372.db2.gz PLIPRVSDTNRWJH-UHFFFAOYSA-N 1 2 396.494 4.115 50 0 GIAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(OCc2cccs2)cc1)C1CC1 ZINC000095516570 208216992 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COc1cccc(/C=C\C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1 ZINC000096912788 208328126 /nfs/dbraw/zinc/32/81/26/208328126.db2.gz CDVGJWHLWFQXDE-HUQFFUELSA-N 1 2 381.863 4.001 50 0 GIAALO COc1ccccc1-c1cccc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)c1 ZINC000220475065 208861806 /nfs/dbraw/zinc/86/18/06/208861806.db2.gz PLRHLXGXAGCXCR-GOSISDBHSA-N 1 2 375.472 4.111 50 0 GIAALO Oc1ccccc1N1CC[NH+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000029693243 208967203 /nfs/dbraw/zinc/96/72/03/208967203.db2.gz AHJZGOUNXBDAKP-UHFFFAOYSA-N 1 2 399.947 4.415 50 0 GIAALO C[C@@H](Oc1ccccc1)C(=O)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062129283 209002028 /nfs/dbraw/zinc/00/20/28/209002028.db2.gz KKSJADVSCJTRAH-LJQANCHMSA-N 1 2 389.499 4.256 50 0 GIAALO C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(Cc1c[nH+]c2ccccn12)c1ccccc1 ZINC000096103001 209009133 /nfs/dbraw/zinc/00/91/33/209009133.db2.gz YPTISWKMMPLDKR-SBUREZEXSA-N 1 2 399.450 4.096 50 0 GIAALO COc1ccccc1C[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000248156793 209029265 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C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000069055966 136165130 /nfs/dbraw/zinc/16/51/30/136165130.db2.gz BBABJXCYALHZAX-AWEZNQCLSA-N 1 2 378.303 4.143 50 0 GIAALO C=Cc1ccc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C2CC2)C3)[nH+]c1 ZINC000091745904 136177083 /nfs/dbraw/zinc/17/70/83/136177083.db2.gz IRBMSBPCSJMHQG-JOCHJYFZSA-N 1 2 387.527 4.490 50 0 GIAALO C[C@@H]1CC(C)(C)N(C(=O)C[NH+]2CCN(c3ccccc3F)CC2)c2ccccc21 ZINC000169681388 136197437 /nfs/dbraw/zinc/19/74/37/136197437.db2.gz HMDKFEGPKFKRMD-GOSISDBHSA-N 1 2 395.522 4.267 50 0 GIAALO COc1cccc(N2CC[NH+]([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)CC2)c1 ZINC000058039650 537125018 /nfs/dbraw/zinc/12/50/18/537125018.db2.gz VDCVJNNBBFBQIM-HNNXBMFYSA-N 1 2 398.894 4.282 50 0 GIAALO C[N@H+](Cc1nc(-c2ccccc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911339 570216211 /nfs/dbraw/zinc/21/62/11/570216211.db2.gz LSWCMYWBNXNRKN-FUHWJXTLSA-N 1 2 390.270 4.134 50 0 GIAALO C[N@@H+](Cc1nc(-c2ccccc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911339 570216212 /nfs/dbraw/zinc/21/62/12/570216212.db2.gz LSWCMYWBNXNRKN-FUHWJXTLSA-N 1 2 390.270 4.134 50 0 GIAALO Cc1nc(-c2c[nH]c(C(=O)NCc3ccc(N4CCCCCC4)[nH+]c3)c2)cs1 ZINC000048236738 570222388 /nfs/dbraw/zinc/22/23/88/570222388.db2.gz HOROBAMEQSLUHM-UHFFFAOYSA-N 1 2 395.532 4.152 50 0 GIAALO Cc1[nH+]c2cc(NC(=O)c3ccc([S@@](C)=O)cc3)ccc2n1-c1ccccc1 ZINC000048434531 570250848 /nfs/dbraw/zinc/25/08/48/570250848.db2.gz JUPIIDNJAYCVBA-NDEPHWFRSA-N 1 2 389.480 4.324 50 0 GIAALO FC(F)(F)Oc1ccccc1C[NH+]1CC(c2nc(-c3cccs3)no2)C1 ZINC000049484457 570267756 /nfs/dbraw/zinc/26/77/56/570267756.db2.gz IRPFHWSEYRCRPE-UHFFFAOYSA-N 1 2 381.379 4.296 50 0 GIAALO Cc1ccc(C[N@@H+]2CCO[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)C2)cc1 ZINC000034670670 570293333 /nfs/dbraw/zinc/29/33/33/570293333.db2.gz CCCKTWOHFSWBEE-HSZRJFAPSA-N 1 2 398.522 4.133 50 0 GIAALO Cc1ccc(C[N@H+]2CCO[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)C2)cc1 ZINC000034670670 570293335 /nfs/dbraw/zinc/29/33/35/570293335.db2.gz 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382.435 4.369 50 0 GIAALO CN(C/C=C/c1ccccc1)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067772337 570790646 /nfs/dbraw/zinc/79/06/46/570790646.db2.gz NOKCKESXQFWUDC-NTEUORMPSA-N 1 2 375.472 4.092 50 0 GIAALO CN(C/C=C/c1ccccc1)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067772337 570790648 /nfs/dbraw/zinc/79/06/48/570790648.db2.gz NOKCKESXQFWUDC-NTEUORMPSA-N 1 2 375.472 4.092 50 0 GIAALO C[C@H](CNC(=O)CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2)c1ccccc1 ZINC000032752915 570792232 /nfs/dbraw/zinc/79/22/32/570792232.db2.gz KPKSRENTHGCZLY-CYBMUJFWSA-N 1 2 394.475 4.262 50 0 GIAALO COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@H+](CCF)C4)nc12 ZINC000067821541 570793003 /nfs/dbraw/zinc/79/30/03/570793003.db2.gz OKEBOIBCBVODTR-UHFFFAOYSA-N 1 2 396.462 4.391 50 0 GIAALO COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@@H+](CCF)C4)nc12 ZINC000067821541 570793007 /nfs/dbraw/zinc/79/30/07/570793007.db2.gz OKEBOIBCBVODTR-UHFFFAOYSA-N 1 2 396.462 4.391 50 0 GIAALO O=c1cc(C[N@H+](Cc2ccco2)Cc2cccs2)nc2ccc(Cl)cn12 ZINC000032759236 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COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc(F)cc3)no2)c1 ZINC000012871424 570273309 /nfs/dbraw/zinc/27/33/09/570273309.db2.gz IOHVVYJJQSROFF-SFHVURJKSA-N 1 2 383.423 4.230 50 0 GIAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc(F)cc3)no2)c1 ZINC000012871424 570273311 /nfs/dbraw/zinc/27/33/11/570273311.db2.gz IOHVVYJJQSROFF-SFHVURJKSA-N 1 2 383.423 4.230 50 0 GIAALO CC(C)c1noc(C[NH+]2CCC3(C[C@H]3c3nnc(-c4cccc(F)c4)o3)CC2)n1 ZINC000071890575 570275595 /nfs/dbraw/zinc/27/55/95/570275595.db2.gz CDYFNTGZVOXLAP-INIZCTEOSA-N 1 2 397.454 4.152 50 0 GIAALO Cc1cccc(-n2ncc3c2nc[nH+]c3N2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000002377933 570285003 /nfs/dbraw/zinc/28/50/03/570285003.db2.gz CRZLCFGQTWRNOG-UHFFFAOYSA-N 1 2 398.514 4.067 50 0 GIAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccc(C)cc3)no2)c1 ZINC000012931056 570301076 /nfs/dbraw/zinc/30/10/76/570301076.db2.gz MFNPRJHNHLRSNT-IBGZPJMESA-N 1 2 379.460 4.399 50 0 GIAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(-c3ccc(C)cc3)no2)c1 ZINC000012931056 570301078 /nfs/dbraw/zinc/30/10/78/570301078.db2.gz MFNPRJHNHLRSNT-IBGZPJMESA-N 1 2 379.460 4.399 50 0 GIAALO Cc1cc(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)n(-c2cc(C)ccc2C)n1 ZINC000012946246 570317017 /nfs/dbraw/zinc/31/70/17/570317017.db2.gz RUEPLASTHGGEBT-UHFFFAOYSA-N 1 2 380.467 4.007 50 0 GIAALO Cc1cc(NC(=O)C[N@H+](C)Cc2cccc(F)c2)n(-c2cc(C)ccc2C)n1 ZINC000012946246 570317022 /nfs/dbraw/zinc/31/70/22/570317022.db2.gz RUEPLASTHGGEBT-UHFFFAOYSA-N 1 2 380.467 4.007 50 0 GIAALO Cc1ccc(-c2noc([C@H](C)[NH2+]Cc3cnc(Nc4cccnc4)s3)n2)cc1 ZINC000023380172 570359349 /nfs/dbraw/zinc/35/93/49/570359349.db2.gz WYVIDFWVHCIDKX-AWEZNQCLSA-N 1 2 392.488 4.491 50 0 GIAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(C2CC2)nc2ccccc21 ZINC000024749085 570391357 /nfs/dbraw/zinc/39/13/57/570391357.db2.gz VNEVIOALNJPOOC-UHFFFAOYSA-N 1 2 382.467 4.287 50 0 GIAALO CC(=O)c1ccc(NC(=O)CSc2[nH+][nH]cc3c4cc(F)ccc4nc2-3)cc1 ZINC000032752898 570393471 /nfs/dbraw/zinc/39/34/71/570393471.db2.gz PHYSQULVAZQBOA-UHFFFAOYSA-N 1 2 394.431 4.184 50 0 GIAALO Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(-c2c[nH+]c3n2CCC3)c1 ZINC000090655232 570406470 /nfs/dbraw/zinc/40/64/70/570406470.db2.gz KKPDCCCRTQJOHX-UHFFFAOYSA-N 1 2 387.892 4.259 50 0 GIAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1C(=O)c1cccs1 ZINC000025174983 570407900 /nfs/dbraw/zinc/40/79/00/570407900.db2.gz NLLWMUUGAVBAKB-UHFFFAOYSA-N 1 2 387.464 4.476 50 0 GIAALO O=C(c1ccccc1SCc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000004850847 570411919 /nfs/dbraw/zinc/41/19/19/570411919.db2.gz YPTYJHICRWZHJW-UHFFFAOYSA-N 1 2 389.524 4.336 50 0 GIAALO COc1cccc(Nc2c(C(=O)N3CCSCC3)c[nH+]c3ccccc32)c1 ZINC000064471739 570467605 /nfs/dbraw/zinc/46/76/05/570467605.db2.gz YZZGOIIZKRVWOY-UHFFFAOYSA-N 1 2 379.485 4.176 50 0 GIAALO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000006581239 570483183 /nfs/dbraw/zinc/48/31/83/570483183.db2.gz DREQLPDHCXWPQY-UHFFFAOYSA-N 1 2 390.483 4.345 50 0 GIAALO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000006581239 570483185 /nfs/dbraw/zinc/48/31/85/570483185.db2.gz DREQLPDHCXWPQY-UHFFFAOYSA-N 1 2 390.483 4.345 50 0 GIAALO CC(C)c1cc(N2CCN(c3cccc[nH+]3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000006760075 570492505 /nfs/dbraw/zinc/49/25/05/570492505.db2.gz GXRAXHNLYBZOSO-UHFFFAOYSA-N 1 2 398.514 4.241 50 0 GIAALO O=C(c1sc2cccc(F)c2c1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000006886257 570498086 /nfs/dbraw/zinc/49/80/86/570498086.db2.gz YEUYUUCGDQNOQG-UHFFFAOYSA-N 1 2 375.856 4.051 50 0 GIAALO Cc1c(Cl)cccc1-c1cccc(C(=O)NC(C)(C)C[NH+]2CCOCC2)c1 ZINC000426621782 570502137 /nfs/dbraw/zinc/50/21/37/570502137.db2.gz RVRCDYKKVIXTOO-UHFFFAOYSA-N 1 2 386.923 4.156 50 0 GIAALO Cc1ccc(C)c(Cn2cc[nH+]c2CN(Cc2ccco2)C(=O)C2CCC2)c1 ZINC000006689321 570533713 /nfs/dbraw/zinc/53/37/13/570533713.db2.gz FORGEHDHSWKEOO-UHFFFAOYSA-N 1 2 377.488 4.470 50 0 GIAALO Cc1cc(C)cc(NC(=O)C[N@@H+]2CCc3cc4c(cc3[C@@H]2C)OCCCO4)c1 ZINC000005352499 570559492 /nfs/dbraw/zinc/55/94/92/570559492.db2.gz DHKWCTUHPRXWKA-KRWDZBQOSA-N 1 2 380.488 4.023 50 0 GIAALO Cc1cc(C)cc(NC(=O)C[N@H+]2CCc3cc4c(cc3[C@@H]2C)OCCCO4)c1 ZINC000005352499 570559496 /nfs/dbraw/zinc/55/94/96/570559496.db2.gz DHKWCTUHPRXWKA-KRWDZBQOSA-N 1 2 380.488 4.023 50 0 GIAALO COc1ccc(NC(=O)Nc2ccc(Nc3nc(N(C)C)cc(C)[nH+]3)cc2)cc1 ZINC000009573436 570559702 /nfs/dbraw/zinc/55/97/02/570559702.db2.gz IBWOWDNLBVIYRI-UHFFFAOYSA-N 1 2 392.463 4.247 50 0 GIAALO c1csc(-c2noc(C[N@@H+]3CCCN(c4nc5ccccc5s4)CC3)n2)c1 ZINC000011661936 570576958 /nfs/dbraw/zinc/57/69/58/570576958.db2.gz ZPKWKDXFNSJGNV-UHFFFAOYSA-N 1 2 397.529 4.120 50 0 GIAALO c1csc(-c2noc(C[N@H+]3CCCN(c4nc5ccccc5s4)CC3)n2)c1 ZINC000011661936 570576959 /nfs/dbraw/zinc/57/69/59/570576959.db2.gz ZPKWKDXFNSJGNV-UHFFFAOYSA-N 1 2 397.529 4.120 50 0 GIAALO O=C(CC[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)NCc1ccccc1F ZINC000011819016 570585470 /nfs/dbraw/zinc/58/54/70/570585470.db2.gz HBUNZZVWXDYYDP-INIZCTEOSA-N 1 2 380.467 4.015 50 0 GIAALO CN(CC(F)F)C(=O)c1c2ccccc2nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000225541787 570585988 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GIAALO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@@H+](Cc1cccc(Cl)c1)CCO2 ZINC000012135745 570614187 /nfs/dbraw/zinc/61/41/87/570614187.db2.gz YLOKGJQQDNFECI-QFIPXVFZSA-N 1 2 380.875 4.211 50 0 GIAALO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1cccc(Cl)c1)CCO2 ZINC000012135745 570614189 /nfs/dbraw/zinc/61/41/89/570614189.db2.gz YLOKGJQQDNFECI-QFIPXVFZSA-N 1 2 380.875 4.211 50 0 GIAALO Cc1ccccc1OC[C@H]1CCC[N@H+](Cc2nc(Cc3ccccc3F)no2)C1 ZINC000012315635 570641311 /nfs/dbraw/zinc/64/13/11/570641311.db2.gz PWZVJNHUOVJSBS-SFHVURJKSA-N 1 2 395.478 4.399 50 0 GIAALO Cc1ccccc1OC[C@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3F)no2)C1 ZINC000012315635 570641314 /nfs/dbraw/zinc/64/13/14/570641314.db2.gz PWZVJNHUOVJSBS-SFHVURJKSA-N 1 2 395.478 4.399 50 0 GIAALO Cc1c[nH]c(CN(C)C(=O)C[C@H](c2cccc(O)c2)c2cccc(Cl)c2)[nH+]1 ZINC000012445163 570666097 /nfs/dbraw/zinc/66/60/97/570666097.db2.gz ISXDDWXMOSXVCW-IBGZPJMESA-N 1 2 383.879 4.258 50 0 GIAALO COc1ccc(C[N@H+](C)CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1F ZINC000007978333 570669527 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GIAALO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3csc(C(C)=O)c3)C2)c(OC)c1 ZINC000012761900 570710705 /nfs/dbraw/zinc/71/07/05/570710705.db2.gz LHVDLMSCLZRPAR-MRXNPFEDSA-N 1 2 387.501 4.063 50 0 GIAALO COc1cc(CO)ccc1Oc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000012800958 570717493 /nfs/dbraw/zinc/71/74/93/570717493.db2.gz IICGESUVPJODAH-UHFFFAOYSA-N 1 2 399.516 4.197 50 0 GIAALO COc1ccccc1C[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000012802851 570718087 /nfs/dbraw/zinc/71/80/87/570718087.db2.gz GCEYDXBFQQMARW-HSZRJFAPSA-N 1 2 394.540 4.403 50 0 GIAALO COc1ccccc1C[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000012802851 570718088 /nfs/dbraw/zinc/71/80/88/570718088.db2.gz GCEYDXBFQQMARW-HSZRJFAPSA-N 1 2 394.540 4.403 50 0 GIAALO O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012918496 570727702 /nfs/dbraw/zinc/72/77/02/570727702.db2.gz ASGNGLXBMQCXQG-UHFFFAOYSA-N 1 2 397.931 4.422 50 0 GIAALO Oc1cccc(C[N@@H+]2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)c1 ZINC000067673998 570785462 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Clc1ccccc1C[N@@H+]1CCO[C@@H](CSc2ncnc3sccc32)C1 ZINC000023989925 207284143 /nfs/dbraw/zinc/28/41/43/207284143.db2.gz DSIHCVZUAQJZBE-CQSZACIVSA-N 1 2 391.949 4.338 50 0 GIAALO Clc1ccccc1C[N@H+]1CCO[C@@H](CSc2ncnc3sccc32)C1 ZINC000023989925 207284150 /nfs/dbraw/zinc/28/41/50/207284150.db2.gz DSIHCVZUAQJZBE-CQSZACIVSA-N 1 2 391.949 4.338 50 0 GIAALO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000024767818 207294351 /nfs/dbraw/zinc/29/43/51/207294351.db2.gz KCWXRGUBKLTNLK-QGZVFWFLSA-N 1 2 389.484 4.244 50 0 GIAALO Cc1cc(OCC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)ccc1Cl ZINC000024747530 207295058 /nfs/dbraw/zinc/29/50/58/207295058.db2.gz CMCCIHZLCCWPFU-CYBMUJFWSA-N 1 2 393.940 4.354 50 0 GIAALO Cc1cc(OCC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)ccc1Cl ZINC000024747530 207295063 /nfs/dbraw/zinc/29/50/63/207295063.db2.gz CMCCIHZLCCWPFU-CYBMUJFWSA-N 1 2 393.940 4.354 50 0 GIAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc3c4ccccc4oc3c(=O)[nH]2)cc1 ZINC000024821562 207296491 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GIAALO O=C(CCCc1nc2ccccc2s1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000028695053 207347088 /nfs/dbraw/zinc/34/70/88/207347088.db2.gz APAUCVKELFUJMW-UHFFFAOYSA-N 1 2 390.512 4.180 50 0 GIAALO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000040087287 207337627 /nfs/dbraw/zinc/33/76/27/207337627.db2.gz FEGLLSFPBYNVGT-ZDUSSCGKSA-N 1 2 375.350 4.262 50 0 GIAALO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000040087288 207337767 /nfs/dbraw/zinc/33/77/67/207337767.db2.gz FEGLLSFPBYNVGT-CYBMUJFWSA-N 1 2 375.350 4.262 50 0 GIAALO CC(=O)c1ccc(-c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)o2)cc1 ZINC000030030076 207369103 /nfs/dbraw/zinc/36/91/03/207369103.db2.gz ZNUYOCVCNFIXRN-OAQYLSRUSA-N 1 2 388.467 4.278 50 0 GIAALO CC(=O)c1ccc(-c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)o2)cc1 ZINC000030030076 207369112 /nfs/dbraw/zinc/36/91/12/207369112.db2.gz ZNUYOCVCNFIXRN-OAQYLSRUSA-N 1 2 388.467 4.278 50 0 GIAALO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc2c3c([nH]c21)CCCC3 ZINC000030216660 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O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1NCc1ccccc1 ZINC000095449034 208184518 /nfs/dbraw/zinc/18/45/18/208184518.db2.gz FDVOJWPJMYEVRG-UHFFFAOYSA-N 1 2 396.494 4.474 50 0 GIAALO O=C(c1ccc(Cl)cc1O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000095469950 208190714 /nfs/dbraw/zinc/19/07/14/208190714.db2.gz MQFLNAOPPXXHJU-UHFFFAOYSA-N 1 2 379.287 4.047 50 0 GIAALO O=C(c1ccc(Cl)cc1O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000095469950 208190717 /nfs/dbraw/zinc/19/07/17/208190717.db2.gz MQFLNAOPPXXHJU-UHFFFAOYSA-N 1 2 379.287 4.047 50 0 GIAALO O=C(c1cccc2ccccc21)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095504958 208203108 /nfs/dbraw/zinc/20/31/08/208203108.db2.gz NOFVOMNHIRHCIM-UHFFFAOYSA-N 1 2 396.494 4.499 50 0 GIAALO CCn1cc[nH+]c1C1CCN(C(=O)CSC23CC4CC(CC(C4)C2)C3)CC1 ZINC000095511142 208212413 /nfs/dbraw/zinc/21/24/13/208212413.db2.gz BWHWLVWCDTVLIW-UHFFFAOYSA-N 1 2 387.593 4.311 50 0 GIAALO Cc1ccc([C@H](C)NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1C ZINC000095966262 208246313 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50 0 GIAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000013115847 210051077 /nfs/dbraw/zinc/05/10/77/210051077.db2.gz BUOLYRKSJWPCKR-BTYIYWSLSA-N 1 2 396.487 4.071 50 0 GIAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000013115847 210051080 /nfs/dbraw/zinc/05/10/80/210051080.db2.gz BUOLYRKSJWPCKR-BTYIYWSLSA-N 1 2 396.487 4.071 50 0 GIAALO C[N@H+](CCSc1cc(Cl)ccc1Cl)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013097632 210051185 /nfs/dbraw/zinc/05/11/85/210051185.db2.gz XXNYLYAQRQJTFN-UHFFFAOYSA-N 1 2 394.327 4.454 50 0 GIAALO C[N@@H+](CCSc1cc(Cl)ccc1Cl)Cc1nc2ccccc2c(=O)[nH]1 ZINC000013097632 210051188 /nfs/dbraw/zinc/05/11/88/210051188.db2.gz XXNYLYAQRQJTFN-UHFFFAOYSA-N 1 2 394.327 4.454 50 0 GIAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2Br)cc1 ZINC000012846173 210017313 /nfs/dbraw/zinc/01/73/13/210017313.db2.gz VOEJZKSSTSQRAQ-GOSISDBHSA-N 1 2 389.293 4.233 50 0 GIAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2Br)cc1 ZINC000012846173 210017316 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CCc1[nH+]c2ccccc2n1Cc1nc(=O)c2c3c(sc2[nH]1)CCCCC3 ZINC000097164485 211359881 /nfs/dbraw/zinc/35/98/81/211359881.db2.gz QCPHYMMDLVJKPO-UHFFFAOYSA-N 1 2 378.501 4.214 50 0 GIAALO O=C(Nc1nc(-c2ccco2)cs1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000097529273 211366721 /nfs/dbraw/zinc/36/67/21/211366721.db2.gz LGPRZOWMZRXQJW-QGZVFWFLSA-N 1 2 385.514 4.132 50 0 GIAALO C[C@H]([NH2+]Cc1c(F)cccc1N1CCCC1)c1nc(-c2cccc(F)c2)no1 ZINC000097009665 211354961 /nfs/dbraw/zinc/35/49/61/211354961.db2.gz FSUQZRDDANEEEN-AWEZNQCLSA-N 1 2 384.430 4.466 50 0 GIAALO COc1cccc(/C=C\C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)c1OC(F)F ZINC000097040480 211357330 /nfs/dbraw/zinc/35/73/30/211357330.db2.gz OPEISYZJICYGQS-HJWRWDBZSA-N 1 2 399.397 4.193 50 0 GIAALO CCN(Cc1nc(C(C)C)no1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000096130556 211303846 /nfs/dbraw/zinc/30/38/46/211303846.db2.gz XCINCZYYKNPKMH-UHFFFAOYSA-N 1 2 388.859 4.086 50 0 GIAALO COc1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc(Br)c1O ZINC000095982360 211290859 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CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(OC)cc2OC)C1 ZINC000095511411 211262801 /nfs/dbraw/zinc/26/28/01/211262801.db2.gz KDFLOTDTEJZCHU-INIZCTEOSA-N 1 2 386.496 4.112 50 0 GIAALO Cc1cc(CC(=O)N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)ccc1F ZINC000095507058 211258404 /nfs/dbraw/zinc/25/84/04/211258404.db2.gz XXNUDWPUGXGMAY-UHFFFAOYSA-N 1 2 391.490 4.328 50 0 GIAALO O=C(c1ccc2occc2c1)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095505377 211256763 /nfs/dbraw/zinc/25/67/63/211256763.db2.gz WJAFWYVUVKHQDR-KRWDZBQOSA-N 1 2 392.484 4.154 50 0 GIAALO Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cn2)cc1C ZINC000095409094 211238739 /nfs/dbraw/zinc/23/87/39/211238739.db2.gz RTWLUXBEXGETSS-LJQANCHMSA-N 1 2 391.475 4.384 50 0 GIAALO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]Cc2nnc(-c3ccccc3F)o2)cc1 ZINC000095462538 211244494 /nfs/dbraw/zinc/24/44/94/211244494.db2.gz XTHUGGCLBLJGAF-LJQANCHMSA-N 1 2 397.450 4.357 50 0 GIAALO CC(C)[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)Cc1cccnc1 ZINC000089869644 211185852 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Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CCC[C@@H](C(=O)c2nccn2C)C1 ZINC000072419073 211116867 /nfs/dbraw/zinc/11/68/67/211116867.db2.gz OVVQDQLBBDCRSU-OAHLLOKOSA-N 1 2 398.894 4.132 50 0 GIAALO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCC[C@@H](C(=O)c2nccn2C)C1 ZINC000072419073 211116863 /nfs/dbraw/zinc/11/68/63/211116863.db2.gz OVVQDQLBBDCRSU-OAHLLOKOSA-N 1 2 398.894 4.132 50 0 GIAALO Clc1ccc(OCCCn2cc[nH+]c2)c(CN2CC(c3ccccn3)C2)c1 ZINC000072129762 211072233 /nfs/dbraw/zinc/07/22/33/211072233.db2.gz TUYXEXYGYRMWKO-UHFFFAOYSA-N 1 2 382.895 4.000 50 0 GIAALO CCc1nccc(C[N@@H+]2CCO[C@H](CC(c3ccccc3)c3ccccc3)C2)n1 ZINC000071753206 211056315 /nfs/dbraw/zinc/05/63/15/211056315.db2.gz ZWSURRNITZPSNT-HSZRJFAPSA-N 1 2 387.527 4.462 50 0 GIAALO CCc1nccc(C[N@H+]2CCO[C@H](CC(c3ccccc3)c3ccccc3)C2)n1 ZINC000071753206 211056318 /nfs/dbraw/zinc/05/63/18/211056318.db2.gz ZWSURRNITZPSNT-HSZRJFAPSA-N 1 2 387.527 4.462 50 0 GIAALO COc1ccc(C[NH2+][C@H](c2nnc(C)[nH]2)c2ccccc2)cc1OCCC(C)C ZINC000069168763 211035152 /nfs/dbraw/zinc/03/51/52/211035152.db2.gz AWIIYRMEUZYNND-QFIPXVFZSA-N 1 2 394.519 4.426 50 0 GIAALO FC(F)(F)c1cccnc1Oc1ccc(C[NH+]2CCOCC2)c2cccnc12 ZINC000067847022 211024887 /nfs/dbraw/zinc/02/48/87/211024887.db2.gz ZPGQTGKHBLYVTA-UHFFFAOYSA-N 1 2 389.377 4.273 50 0 GIAALO Cc1nc(N2CCOc3c(O)cc(-c4nc5ccccc5s4)cc3C2)cc[nH+]1 ZINC000067473233 211010357 /nfs/dbraw/zinc/01/03/57/211010357.db2.gz ODMPYLIEVVKKDD-UHFFFAOYSA-N 1 2 390.468 4.166 50 0 GIAALO Cc1cccc(CNc2c(C(=O)N3CCOCC3)c[nH+]c3ccc(Cl)cc32)c1 ZINC000067288440 211006481 /nfs/dbraw/zinc/00/64/81/211006481.db2.gz RJSIHNMOLILVNN-UHFFFAOYSA-N 1 2 395.890 4.281 50 0 GIAALO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](Cc4ccccc4F)CC3)n2)cc1 ZINC000058754356 210923155 /nfs/dbraw/zinc/92/31/55/210923155.db2.gz SWXZTFSPISNEPC-KRWDZBQOSA-N 1 2 380.467 4.063 50 0 GIAALO COc1ccc(-c2nc(C[N@@H+]3CCN(C)[C@@H](c4ccccc4)C3)c(C)o2)cc1 ZINC000020783484 210362007 /nfs/dbraw/zinc/36/20/07/210362007.db2.gz YOHYOBTVZLZRHK-JOCHJYFZSA-N 1 2 377.488 4.147 50 0 GIAALO COc1ccc(-c2nc(C[N@H+]3CCN(C)[C@@H](c4ccccc4)C3)c(C)o2)cc1 ZINC000020783484 210362009 /nfs/dbraw/zinc/36/20/09/210362009.db2.gz YOHYOBTVZLZRHK-JOCHJYFZSA-N 1 2 377.488 4.147 50 0 GIAALO COCCNC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)s2)s1 ZINC000020599660 210349363 /nfs/dbraw/zinc/34/93/63/210349363.db2.gz JPPLCNVZIOOFRP-CYBMUJFWSA-N 1 2 384.954 4.176 50 0 GIAALO COCCNC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(Cl)s2)s1 ZINC000020599660 210349365 /nfs/dbraw/zinc/34/93/65/210349365.db2.gz JPPLCNVZIOOFRP-CYBMUJFWSA-N 1 2 384.954 4.176 50 0 GIAALO O=C(Nc1ccccc1C(F)(F)F)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000020494850 210341471 /nfs/dbraw/zinc/34/14/71/210341471.db2.gz SCLKNZHHHBZJPD-UHFFFAOYSA-N 1 2 381.373 4.194 50 0 GIAALO OCCN1CC[NH+](Cc2ccccc2Sc2cccc3ccccc32)CC1 ZINC000019801848 210298765 /nfs/dbraw/zinc/29/87/65/210298765.db2.gz ZUNPGRJCRBPBND-UHFFFAOYSA-N 1 2 378.541 4.101 50 0 GIAALO O=c1[nH]c(=S)n(-c2cccc(C(F)(F)F)c2)c2c1C[N@H+](C1CCCC1)CN2 ZINC000019874217 210304248 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GIAALO COc1ccccc1N1C(=O)c2ccccc2C(=CNc2cccc(C)[nH+]2)C1=O ZINC000101189135 136196220 /nfs/dbraw/zinc/19/62/20/136196220.db2.gz BDWGMINFNYMNNJ-JXAWBTAJSA-N 1 2 385.423 4.039 50 0 GIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3cccc(C)c3)C2)nc[nH+]1 ZINC000065242392 535193731 /nfs/dbraw/zinc/19/37/31/535193731.db2.gz GXXZVAYJDODHBV-GOSISDBHSA-N 1 2 381.524 4.242 50 0 GIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3cccc(C)c3)C2)[nH+]cn1 ZINC000065242392 535193737 /nfs/dbraw/zinc/19/37/37/535193737.db2.gz GXXZVAYJDODHBV-GOSISDBHSA-N 1 2 381.524 4.242 50 0 GIAALO COc1cccc(N2CC[NH+](Cc3csc(-c4ccccc4OC)n3)CC2)c1 ZINC000012588450 537124213 /nfs/dbraw/zinc/12/42/13/537124213.db2.gz AFXAJLWOHZOYLW-UHFFFAOYSA-N 1 2 395.528 4.150 50 0 GIAALO CC(C)CCn1c(=O)c2ccc(Cl)cc2nc1SCc1[nH+]ccn1C ZINC000048355141 570243653 /nfs/dbraw/zinc/24/36/53/570243653.db2.gz GSPACSIUQGVLAS-UHFFFAOYSA-N 1 2 376.913 4.122 50 0 GIAALO c1ccc2c(c1)CC[N@@H+](Cc1nc(-c3ccc(N4CCCCCC4)nc3)no1)C2 ZINC000049409682 570265882 /nfs/dbraw/zinc/26/58/82/570265882.db2.gz VNJPQXGQWCEKAM-UHFFFAOYSA-N 1 2 389.503 4.070 50 0 GIAALO c1ccc2c(c1)CC[N@H+](Cc1nc(-c3ccc(N4CCCCCC4)nc3)no1)C2 ZINC000049409682 570265886 /nfs/dbraw/zinc/26/58/86/570265886.db2.gz VNJPQXGQWCEKAM-UHFFFAOYSA-N 1 2 389.503 4.070 50 0 GIAALO Cc1cc2oc(=O)cc(CSc3[nH+]cnc4c3cnn4C)c2cc1C(C)C ZINC000011680043 570322599 /nfs/dbraw/zinc/32/25/99/570322599.db2.gz XSMYJYVTFOWDEO-UHFFFAOYSA-N 1 2 380.473 4.194 50 0 GIAALO O=C(CC[NH+]1CCN(Cc2cccs2)CC1)Nc1c(Cl)cccc1Cl ZINC000022932866 570337527 /nfs/dbraw/zinc/33/75/27/570337527.db2.gz RPJWOKSXUAEVOF-UHFFFAOYSA-N 1 2 398.359 4.201 50 0 GIAALO CC(C)n1c2ccccc2[nH+]c1N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000034907153 570339411 /nfs/dbraw/zinc/33/94/11/570339411.db2.gz SYOHIYAFQHVMAD-UHFFFAOYSA-N 1 2 380.467 4.155 50 0 GIAALO CCCn1c2ccccc2[nH+]c1N1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000034907171 570339450 /nfs/dbraw/zinc/33/94/50/570339450.db2.gz ZIJSQJCOHLGDHO-UHFFFAOYSA-N 1 2 376.504 4.154 50 0 GIAALO Cc1cc(C)cc(C(=O)N2CCN(c3[nH+]ccn3-c3cccc(Cl)c3)CC2)c1 ZINC000011695705 570344107 /nfs/dbraw/zinc/34/41/07/570344107.db2.gz PQFJYGFIBMAXGX-UHFFFAOYSA-N 1 2 394.906 4.105 50 0 GIAALO Cc1nc(-c2cccc(C[N@@H+](C)[C@H](c3ccccn3)C3CC3)c2)[nH]c(=O)c1F ZINC000023251161 570352785 /nfs/dbraw/zinc/35/27/85/570352785.db2.gz YWOLGCDHNFIXRE-FQEVSTJZSA-N 1 2 378.451 4.275 50 0 GIAALO Cc1nc(-c2cccc(C[N@H+](C)[C@H](c3ccccn3)C3CC3)c2)[nH]c(=O)c1F ZINC000023251161 570352789 /nfs/dbraw/zinc/35/27/89/570352789.db2.gz YWOLGCDHNFIXRE-FQEVSTJZSA-N 1 2 378.451 4.275 50 0 GIAALO Cc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cnc(Nc4cccnc4)s3)n2)cc1 ZINC000023380170 570359440 /nfs/dbraw/zinc/35/94/40/570359440.db2.gz WYVIDFWVHCIDKX-CQSZACIVSA-N 1 2 392.488 4.491 50 0 GIAALO Clc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000008279519 570371373 /nfs/dbraw/zinc/37/13/73/570371373.db2.gz RGFKEDJVJVZVAZ-KRWDZBQOSA-N 1 2 397.862 4.498 50 0 GIAALO Clc1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000008279519 570371375 /nfs/dbraw/zinc/37/13/75/570371375.db2.gz RGFKEDJVJVZVAZ-KRWDZBQOSA-N 1 2 397.862 4.498 50 0 GIAALO COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000024775015 570393069 /nfs/dbraw/zinc/39/30/69/570393069.db2.gz XTBPKNNFKFZQAL-HXUWFJFHSA-N 1 2 376.460 4.033 50 0 GIAALO COc1ccc([C@H]([NH2+][C@@H](C)c2nc3ccccc3c(=O)[nH]2)c2ccccc2)cc1 ZINC000025665354 570417686 /nfs/dbraw/zinc/41/76/86/570417686.db2.gz PCGVEKCPEMMSQT-KSFYIVLOSA-N 1 2 385.467 4.372 50 0 GIAALO O=c1cc(C[NH2+][C@@H](c2cccs2)c2ccc3c(c2)CCC3)nc2sccn21 ZINC000028650880 570462585 /nfs/dbraw/zinc/46/25/85/570462585.db2.gz RKOCIILWKAAMDW-HXUWFJFHSA-N 1 2 393.537 4.185 50 0 GIAALO C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)c1ccc(Cl)cc1Cl ZINC000029328605 570472395 /nfs/dbraw/zinc/47/23/95/570472395.db2.gz DURZCJDIMXSDAS-GFCCVEGCSA-N 1 2 390.274 4.135 50 0 GIAALO CNC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1c(Cl)cccc1Cl ZINC000006659269 570486311 /nfs/dbraw/zinc/48/63/11/570486311.db2.gz BTOXAERPVTZDLR-QGZVFWFLSA-N 1 2 387.270 4.378 50 0 GIAALO Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000006657715 570522049 /nfs/dbraw/zinc/52/20/49/570522049.db2.gz LSBVDJMWUBXIEJ-QGZVFWFLSA-N 1 2 384.483 4.457 50 0 GIAALO Cc1ccc2[nH+]c(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)cn2c1 ZINC000006657893 570522199 /nfs/dbraw/zinc/52/21/99/570522199.db2.gz OIUBYFMBTYLKLD-UHFFFAOYSA-N 1 2 377.275 4.020 50 0 GIAALO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000072308167 570526782 /nfs/dbraw/zinc/52/67/82/570526782.db2.gz JWPQQXVOYDZHHE-NSHDSACASA-N 1 2 387.789 4.093 50 0 GIAALO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000072308167 570526783 /nfs/dbraw/zinc/52/67/83/570526783.db2.gz JWPQQXVOYDZHHE-NSHDSACASA-N 1 2 387.789 4.093 50 0 GIAALO C[C@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(Sc2ccccn2)CC1 ZINC000072308941 570529314 /nfs/dbraw/zinc/52/93/14/570529314.db2.gz GARFVTABUZVQJM-CQSZACIVSA-N 1 2 398.557 4.275 50 0 GIAALO COCCN(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)C(=O)CC(C)C ZINC000006689742 570533220 /nfs/dbraw/zinc/53/32/20/570533220.db2.gz ULDAPDFGBINHDC-UHFFFAOYSA-N 1 2 398.334 4.259 50 0 GIAALO CC[NH+]1CCN(c2nc(-c3ccccc3)c(C(=O)c3ccc(C)cc3)s2)CC1 ZINC000008715541 570537913 /nfs/dbraw/zinc/53/79/13/570537913.db2.gz ZGQUSKFWLFFSDK-UHFFFAOYSA-N 1 2 391.540 4.491 50 0 GIAALO CCCN(C)c1nc(SCc2ccc(C(=O)NCC3CC3)cc2)[nH+]c(C)c1C ZINC000006765106 570576331 /nfs/dbraw/zinc/57/63/31/570576331.db2.gz BGGHRDGVJXSZPG-UHFFFAOYSA-N 1 2 398.576 4.372 50 0 GIAALO COc1ccc2cc(-c3n[nH]cc3C[N@H+](Cc3nccn3C)C(C)C)ccc2c1 ZINC000011663543 570578022 /nfs/dbraw/zinc/57/80/22/570578022.db2.gz UYYYSVGAVFBAEA-UHFFFAOYSA-N 1 2 389.503 4.383 50 0 GIAALO COc1ccc2cc(-c3n[nH]cc3C[N@@H+](Cc3nccn3C)C(C)C)ccc2c1 ZINC000011663543 570578024 /nfs/dbraw/zinc/57/80/24/570578024.db2.gz UYYYSVGAVFBAEA-UHFFFAOYSA-N 1 2 389.503 4.383 50 0 GIAALO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000012050907 570601068 /nfs/dbraw/zinc/60/10/68/570601068.db2.gz MPTKRMAEYQAUFQ-CQSZACIVSA-N 1 2 377.941 4.199 50 0 GIAALO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000012050907 570601072 /nfs/dbraw/zinc/60/10/72/570601072.db2.gz MPTKRMAEYQAUFQ-CQSZACIVSA-N 1 2 377.941 4.199 50 0 GIAALO O=C(NCCc1ccccc1F)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000225679731 570602522 /nfs/dbraw/zinc/60/25/22/570602522.db2.gz LAWHDDPPHKGZIS-UHFFFAOYSA-N 1 2 378.451 4.390 50 0 GIAALO Cn1c[nH+]cc1CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 ZINC000072312940 570649013 /nfs/dbraw/zinc/64/90/13/570649013.db2.gz SGCGIPJBINPNJD-UHFFFAOYSA-N 1 2 379.464 4.158 50 0 GIAALO Cc1nc2scc(CC(C)C)c2c(N2CCC([N@H+](C)CC(F)F)CC2)n1 ZINC000072313956 570652646 /nfs/dbraw/zinc/65/26/46/570652646.db2.gz COEBMNIWZQTJCI-UHFFFAOYSA-N 1 2 382.524 4.364 50 0 GIAALO Cc1nc2scc(CC(C)C)c2c(N2CCC([N@@H+](C)CC(F)F)CC2)n1 ZINC000072313956 570652651 /nfs/dbraw/zinc/65/26/51/570652651.db2.gz COEBMNIWZQTJCI-UHFFFAOYSA-N 1 2 382.524 4.364 50 0 GIAALO Cc1ccccc1-c1cn2c(C(=O)N(Cc3[nH+]ccn3C)C(C)C)csc2n1 ZINC000012433640 570661277 /nfs/dbraw/zinc/66/12/77/570661277.db2.gz VPJNULVKOVEYPY-UHFFFAOYSA-N 1 2 393.516 4.156 50 0 GIAALO CC[N@H+](CCCNc1nc(-c2cc(OC)ccc2OC)no1)c1cccc(C)c1 ZINC000006899546 570694129 /nfs/dbraw/zinc/69/41/29/570694129.db2.gz KAFKQDZBHWKSAU-UHFFFAOYSA-N 1 2 396.491 4.391 50 0 GIAALO CC[N@@H+](CCCNc1nc(-c2cc(OC)ccc2OC)no1)c1cccc(C)c1 ZINC000006899546 570694132 /nfs/dbraw/zinc/69/41/32/570694132.db2.gz KAFKQDZBHWKSAU-UHFFFAOYSA-N 1 2 396.491 4.391 50 0 GIAALO Cc1[nH]c2ccc(NC(=O)N(Cc3cccc(C)c3)C[C@@H]3CCCO3)cc2[nH+]1 ZINC000244734662 570695840 /nfs/dbraw/zinc/69/58/40/570695840.db2.gz NJQLDYQRCPFVGG-IBGZPJMESA-N 1 2 378.476 4.393 50 0 GIAALO COc1cccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000036446905 570712127 /nfs/dbraw/zinc/71/21/27/570712127.db2.gz OZCXAAWQFWRQSR-FQEVSTJZSA-N 1 2 384.526 4.404 50 0 GIAALO COc1cccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000036446905 570712128 /nfs/dbraw/zinc/71/21/28/570712128.db2.gz OZCXAAWQFWRQSR-FQEVSTJZSA-N 1 2 384.526 4.404 50 0 GIAALO O=C(C[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1)N1CCc2ccccc21 ZINC000058160605 570713083 /nfs/dbraw/zinc/71/30/83/570713083.db2.gz YRBUJUPBBLGMCN-IBGZPJMESA-N 1 2 377.513 4.413 50 0 GIAALO O=C(C[N@H+]1CCCC[C@H]1c1nc2ccccc2s1)N1CCc2ccccc21 ZINC000058160605 570713086 /nfs/dbraw/zinc/71/30/86/570713086.db2.gz YRBUJUPBBLGMCN-IBGZPJMESA-N 1 2 377.513 4.413 50 0 GIAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1 ZINC000021840761 570750101 /nfs/dbraw/zinc/75/01/01/570750101.db2.gz WGOKGSSCWBPCRB-LJQANCHMSA-N 1 2 392.846 4.248 50 0 GIAALO C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050216 570764849 /nfs/dbraw/zinc/76/48/49/570764849.db2.gz FNXIIEACBBJIDB-GFCCVEGCSA-N 1 2 396.299 4.219 50 0 GIAALO CC(C)=Cc1c(-c2ccccc2)ncn1C[C@@H](c1ccncc1)[NH+]1CCOCC1 ZINC000065464385 570770086 /nfs/dbraw/zinc/77/00/86/570770086.db2.gz IQLGBYIHKWSZER-QHCPKHFHSA-N 1 2 388.515 4.442 50 0 GIAALO CCCNc1cc(N2CCC(CCC(=O)Nc3ccccc3CC)CC2)nc[nH+]1 ZINC000065274191 570776558 /nfs/dbraw/zinc/77/65/58/570776558.db2.gz KBLBJRKNYODSFF-UHFFFAOYSA-N 1 2 395.551 4.496 50 0 GIAALO CCCNc1cc(N2CCC(CCC(=O)Nc3ccccc3CC)CC2)[nH+]cn1 ZINC000065274191 570776559 /nfs/dbraw/zinc/77/65/59/570776559.db2.gz KBLBJRKNYODSFF-UHFFFAOYSA-N 1 2 395.551 4.496 50 0 GIAALO Cc1ccc2[nH]c(N3CCC(C(=O)N[C@H](C)CCc4ccccc4)CC3)[nH+]c2c1 ZINC000033070771 570802201 /nfs/dbraw/zinc/80/22/01/570802201.db2.gz SBAASACQZRNAAP-GOSISDBHSA-N 1 2 390.531 4.225 50 0 GIAALO Cc1ccc2[nH+]c(N3CCC(C(=O)N[C@H](C)CCc4ccccc4)CC3)[nH]c2c1 ZINC000033070771 570802204 /nfs/dbraw/zinc/80/22/04/570802204.db2.gz SBAASACQZRNAAP-GOSISDBHSA-N 1 2 390.531 4.225 50 0 GIAALO CCn1cc(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000032787486 570810028 /nfs/dbraw/zinc/81/00/28/570810028.db2.gz FZQIOCZLCSYDDL-UHFFFAOYSA-N 1 2 381.907 4.273 50 0 GIAALO Cc1cc(F)ccc1NC(=O)C1CCN(c2ccc(-n3cccc3)c[nH+]2)CC1 ZINC000033106214 570811233 /nfs/dbraw/zinc/81/12/33/570811233.db2.gz MCLKQZSEZASSKS-UHFFFAOYSA-N 1 2 378.451 4.175 50 0 GIAALO Cc1ccc(CSCCNC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000032809238 570831558 /nfs/dbraw/zinc/83/15/58/570831558.db2.gz XOAXFNFSVVZNDU-HXUWFJFHSA-N 1 2 394.544 4.051 50 0 GIAALO COC(=O)c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)sc1-c1ccccc1 ZINC000170595717 570853553 /nfs/dbraw/zinc/85/35/53/570853553.db2.gz TVYFWUHHMZKLRA-SFHVURJKSA-N 1 2 394.496 4.170 50 0 GIAALO COC(=O)c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)sc1-c1ccccc1 ZINC000170595717 570853555 /nfs/dbraw/zinc/85/35/55/570853555.db2.gz TVYFWUHHMZKLRA-SFHVURJKSA-N 1 2 394.496 4.170 50 0 GIAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1csc(-c2ccsc2)n1 ZINC000032860070 570860050 /nfs/dbraw/zinc/86/00/50/570860050.db2.gz VTGGPHXDOZUJNM-UHFFFAOYSA-N 1 2 380.498 4.046 50 0 GIAALO Cc1cccc(CN(Cc2ccccc2)C(=O)N[C@H](c2[nH+]ccn2C)C(C)C)n1 ZINC000534637030 570911935 /nfs/dbraw/zinc/91/19/35/570911935.db2.gz LRZFELFJIVXXMW-NRFANRHFSA-N 1 2 391.519 4.233 50 0 GIAALO O=S1(=O)CC[C@@H]([NH+](Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)C1 ZINC000032925315 570937113 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CC(C)=CCSc1ccccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cn1 ZINC000095976309 211291324 /nfs/dbraw/zinc/29/13/24/211291324.db2.gz AZYMSBBJHBCCJQ-UHFFFAOYSA-N 1 2 397.544 4.224 50 0 GIAALO O=C(c1cc(F)cc(Cl)c1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095530766 211273886 /nfs/dbraw/zinc/27/38/86/211273886.db2.gz PIXZKEMBBXDDAN-UHFFFAOYSA-N 1 2 398.869 4.139 50 0 GIAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@@H+]1Cc1cncs1 ZINC000095523847 211269364 /nfs/dbraw/zinc/26/93/64/211269364.db2.gz PCSRBMHSDUXEJX-HXUWFJFHSA-N 1 2 394.500 4.324 50 0 GIAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@H+]1Cc1cncs1 ZINC000095523847 211269368 /nfs/dbraw/zinc/26/93/68/211269368.db2.gz PCSRBMHSDUXEJX-HXUWFJFHSA-N 1 2 394.500 4.324 50 0 GIAALO O=C(Nc1ccc(F)c(F)c1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095525415 211268788 /nfs/dbraw/zinc/26/87/88/211268788.db2.gz KEYXUEBFDIWGBH-UHFFFAOYSA-N 1 2 397.429 4.016 50 0 GIAALO Cc1ccc(-c2ncco2)cc1NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000095444056 211240712 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GIAALO COc1ccc(CN2CC[NH+](Cc3ccco3)CC2)cc1OCc1ccccc1 ZINC000019842514 210302378 /nfs/dbraw/zinc/30/23/78/210302378.db2.gz SMKOSEBSQXCCFD-UHFFFAOYSA-N 1 2 392.499 4.185 50 0 GIAALO COc1ccc(C[NH+]2CCN(Cc3ccco3)CC2)cc1OCc1ccccc1 ZINC000019842514 210302380 /nfs/dbraw/zinc/30/23/80/210302380.db2.gz SMKOSEBSQXCCFD-UHFFFAOYSA-N 1 2 392.499 4.185 50 0 GIAALO O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019929061 210309059 /nfs/dbraw/zinc/30/90/59/210309059.db2.gz JXRDMQOGXULYQE-XBXARRHUSA-N 1 2 391.298 4.478 50 0 GIAALO Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)[N@H+](C)Cc1cccs1 ZINC000019771259 210294785 /nfs/dbraw/zinc/29/47/85/210294785.db2.gz WRNQHYUIKUNBCV-FQEVSTJZSA-N 1 2 375.501 4.254 50 0 GIAALO Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)[N@@H+](C)Cc1cccs1 ZINC000019771259 210294790 /nfs/dbraw/zinc/29/47/90/210294790.db2.gz WRNQHYUIKUNBCV-FQEVSTJZSA-N 1 2 375.501 4.254 50 0 GIAALO CCCCN1C(=N)[N@H+](CC(=O)c2ccc(Br)s2)c2ccccc21 ZINC000019757446 210293638 /nfs/dbraw/zinc/29/36/38/210293638.db2.gz 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/nfs/dbraw/zinc/32/19/02/570321902.db2.gz PUXGSMOTSOAVIF-LBPRGKRZSA-N 1 2 380.945 4.251 50 0 GIAALO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022915462 570335107 /nfs/dbraw/zinc/33/51/07/570335107.db2.gz WOEXEWBJURZGRP-CYBMUJFWSA-N 1 2 398.359 4.200 50 0 GIAALO COc1ccc(C(=O)N2CCC(n3c(C)[nH+]c4ccc(C)cc43)CC2)c(C)c1 ZINC000034915385 570344309 /nfs/dbraw/zinc/34/43/09/570344309.db2.gz GBIQEDWOADIMCF-UHFFFAOYSA-N 1 2 377.488 4.447 50 0 GIAALO COc1ccccc1CNC(=O)C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000035388538 570347807 /nfs/dbraw/zinc/34/78/07/570347807.db2.gz OYDPIZSEANSODB-QHCPKHFHSA-N 1 2 392.524 4.021 50 0 GIAALO COc1ccccc1CNC(=O)C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000035388538 570347809 /nfs/dbraw/zinc/34/78/09/570347809.db2.gz OYDPIZSEANSODB-QHCPKHFHSA-N 1 2 392.524 4.021 50 0 GIAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=S)N3C[C@@H](C)C[C@H](C)C3)cc12 ZINC000004969814 570384712 /nfs/dbraw/zinc/38/47/12/570384712.db2.gz MRXIEKQWNGFKJW-HOTGVXAUSA-N 1 2 398.576 4.055 50 0 GIAALO COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000024775011 570392866 /nfs/dbraw/zinc/39/28/66/570392866.db2.gz XTBPKNNFKFZQAL-FQEVSTJZSA-N 1 2 376.460 4.033 50 0 GIAALO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3c4ccccc4oc3c(=O)[nH]2)cc1 ZINC000024821559 570393931 /nfs/dbraw/zinc/39/39/31/570393931.db2.gz KGUPIFFAZYXCED-KRWDZBQOSA-N 1 2 375.428 4.427 50 0 GIAALO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc3c4ccccc4oc3c(=O)[nH]2)cc1 ZINC000024821559 570393934 /nfs/dbraw/zinc/39/39/34/570393934.db2.gz KGUPIFFAZYXCED-KRWDZBQOSA-N 1 2 375.428 4.427 50 0 GIAALO O=C(Nc1ccc(Nc2cc(-n3cc[nH+]c3)ncn2)cc1)c1ccccc1Cl ZINC000035598088 570400820 /nfs/dbraw/zinc/40/08/20/570400820.db2.gz ASLLEXRILJGVBL-UHFFFAOYSA-N 1 2 390.834 4.312 50 0 GIAALO COc1ccc(CSc2[nH+]ccc3c2ccn3CC(=O)NCC(C)C)cc1 ZINC000033298649 570405365 /nfs/dbraw/zinc/40/53/65/570405365.db2.gz DKQXTEWIRANIHD-UHFFFAOYSA-N 1 2 383.517 4.109 50 0 GIAALO O[C@@H](COc1ccc(-c2ccccc2)cc1)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000025256424 570409588 /nfs/dbraw/zinc/40/95/88/570409588.db2.gz RPZAPWNAXZNEEI-QGZVFWFLSA-N 1 2 380.394 4.421 50 0 GIAALO Cn1c(C2CC2)nn(C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)c1=S ZINC000026618439 570427458 /nfs/dbraw/zinc/42/74/58/570427458.db2.gz XDJDYVZEIMZWCR-UHFFFAOYSA-N 1 2 382.455 4.469 50 0 GIAALO Cn1c(C2CC2)nn(C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)c1=S ZINC000026618439 570427460 /nfs/dbraw/zinc/42/74/60/570427460.db2.gz XDJDYVZEIMZWCR-UHFFFAOYSA-N 1 2 382.455 4.469 50 0 GIAALO CC(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)s1 ZINC000027344866 570433483 /nfs/dbraw/zinc/43/34/83/570433483.db2.gz SQTCYSUBNCKQCB-INIZCTEOSA-N 1 2 376.909 4.171 50 0 GIAALO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000044369907 570440346 /nfs/dbraw/zinc/44/03/46/570440346.db2.gz PTBAONJMYPBDSY-DYESRHJHSA-N 1 2 391.515 4.391 50 0 GIAALO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2N2CCCCC2)c1 ZINC000029154696 570469338 /nfs/dbraw/zinc/46/93/38/570469338.db2.gz XZDGDJLYLDVUPH-GOSISDBHSA-N 1 2 393.531 4.339 50 0 GIAALO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2N2CCCCC2)c1 ZINC000029154696 570469339 /nfs/dbraw/zinc/46/93/39/570469339.db2.gz XZDGDJLYLDVUPH-GOSISDBHSA-N 1 2 393.531 4.339 50 0 GIAALO COc1cc(C)ccc1Oc1ccc(NC(=O)Cc2cn3ccccc3[nH+]2)cn1 ZINC000029374098 570472780 /nfs/dbraw/zinc/47/27/80/570472780.db2.gz UJTUGFODACEHRU-UHFFFAOYSA-N 1 2 388.427 4.020 50 0 GIAALO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1nc(C2CC2)no1 ZINC000029427492 570473860 /nfs/dbraw/zinc/47/38/60/570473860.db2.gz YBTOCMWAXCRTMG-UHFFFAOYSA-N 1 2 385.471 4.432 50 0 GIAALO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1nc(C2CC2)no1 ZINC000029427492 570473861 /nfs/dbraw/zinc/47/38/61/570473861.db2.gz YBTOCMWAXCRTMG-UHFFFAOYSA-N 1 2 385.471 4.432 50 0 GIAALO C[C@H]([NH2+][C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000030282943 570487942 /nfs/dbraw/zinc/48/79/42/570487942.db2.gz PRXSLNLPJIDJFU-IFXJQAMLSA-N 1 2 393.314 4.244 50 0 GIAALO Cc1[nH]c2cc(C)ccc2c1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000035999901 570506065 /nfs/dbraw/zinc/50/60/65/570506065.db2.gz RKDBEPNQLBLBPM-UHFFFAOYSA-N 1 2 381.907 4.443 50 0 GIAALO Cc1cccc(C[N@H+](CC(=O)NCc2ccc(Cl)s2)Cc2ccccn2)c1 ZINC000072308335 570527739 /nfs/dbraw/zinc/52/77/39/570527739.db2.gz FTJCKSWDAPFUBC-UHFFFAOYSA-N 1 2 399.947 4.424 50 0 GIAALO Cc1cccc(C[N@@H+](CC(=O)NCc2ccc(Cl)s2)Cc2ccccn2)c1 ZINC000072308335 570527743 /nfs/dbraw/zinc/52/77/43/570527743.db2.gz FTJCKSWDAPFUBC-UHFFFAOYSA-N 1 2 399.947 4.424 50 0 GIAALO Cc1[nH+]c2cc(NC(=O)c3ccc(NC(N)=O)cc3)ccc2n1-c1ccccc1 ZINC000005268700 570542211 /nfs/dbraw/zinc/54/22/11/570542211.db2.gz ZPVOPDBXOKSZCO-UHFFFAOYSA-N 1 2 385.427 4.077 50 0 GIAALO Cc1[nH]c2cc(C)ccc2c1C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000034687788 570543057 /nfs/dbraw/zinc/54/30/57/570543057.db2.gz LVACKMZWIONTTN-QGZVFWFLSA-N 1 2 379.479 4.317 50 0 GIAALO CCOC(=O)c1cc(C(C)C)sc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000034864529 570545182 /nfs/dbraw/zinc/54/51/82/570545182.db2.gz ZEMZEVUMTHACJQ-UHFFFAOYSA-N 1 2 386.517 4.045 50 0 GIAALO CCOC(=O)c1cc(C(C)C)sc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000034864529 570545187 /nfs/dbraw/zinc/54/51/87/570545187.db2.gz ZEMZEVUMTHACJQ-UHFFFAOYSA-N 1 2 386.517 4.045 50 0 GIAALO CC(C)Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000034906486 570547184 /nfs/dbraw/zinc/54/71/84/570547184.db2.gz LMEVONQCIDCGNX-HXUWFJFHSA-N 1 2 390.531 4.225 50 0 GIAALO O=C(c1ccccc1F)N(Cc1[nH+]ccn1Cc1ccc(F)c(F)c1)CC1CC1 ZINC000006723955 570552748 /nfs/dbraw/zinc/55/27/48/570552748.db2.gz UBHHUIQXFHLJRY-UHFFFAOYSA-N 1 2 399.416 4.401 50 0 GIAALO CCCCC(=O)N1CCN(c2nc(-c3cccc(C)c3)[nH+]c(C)c2CC)CC1 ZINC000006739824 570562858 /nfs/dbraw/zinc/56/28/58/570562858.db2.gz XAXGSZCWXZERPJ-UHFFFAOYSA-N 1 2 380.536 4.162 50 0 GIAALO O=C(CCc1cn2ccccc2[nH+]1)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000011663440 570577910 /nfs/dbraw/zinc/57/79/10/570577910.db2.gz QPHFRBGXHHTPPS-GOSISDBHSA-N 1 2 379.479 4.277 50 0 GIAALO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[N@@H+]1Cc1ccco1 ZINC000011818396 570584872 /nfs/dbraw/zinc/58/48/72/570584872.db2.gz YPNQHSIMODNMRC-FQEVSTJZSA-N 1 2 377.444 4.460 50 0 GIAALO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[N@H+]1Cc1ccco1 ZINC000011818396 570584875 /nfs/dbraw/zinc/58/48/75/570584875.db2.gz YPNQHSIMODNMRC-FQEVSTJZSA-N 1 2 377.444 4.460 50 0 GIAALO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000225610463 570593928 /nfs/dbraw/zinc/59/39/28/570593928.db2.gz JUPRHKWVEOZEHF-MRXNPFEDSA-N 1 2 398.526 4.001 50 0 GIAALO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000225610463 570593933 /nfs/dbraw/zinc/59/39/33/570593933.db2.gz JUPRHKWVEOZEHF-MRXNPFEDSA-N 1 2 398.526 4.001 50 0 GIAALO Cc1ccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000036311432 570609627 /nfs/dbraw/zinc/60/96/27/570609627.db2.gz HFVOJIZXGFHFFT-QFIPXVFZSA-N 1 2 399.579 4.073 50 0 GIAALO COc1ccc(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000005500392 570614817 /nfs/dbraw/zinc/61/48/17/570614817.db2.gz NJEHVYSLMBHBTA-UHFFFAOYSA-N 1 2 390.468 4.108 50 0 GIAALO Cc1ccc(C(=O)C2CC[NH+](CN3C(=O)C(C)(C)[C@H]3c3ccccc3)CC2)cc1 ZINC000072312388 570648106 /nfs/dbraw/zinc/64/81/06/570648106.db2.gz MIANQTZKUDVOKX-HSZRJFAPSA-N 1 2 390.527 4.457 50 0 GIAALO Cc1ccc(C(=O)C2CC[NH+](CN3C(=O)C(C)(C)[C@@H]3c3ccccc3)CC2)cc1 ZINC000072312389 570648120 /nfs/dbraw/zinc/64/81/20/570648120.db2.gz MIANQTZKUDVOKX-QHCPKHFHSA-N 1 2 390.527 4.457 50 0 GIAALO O=c1[nH]c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2ccc(Cl)cc12 ZINC000036386038 570656582 /nfs/dbraw/zinc/65/65/82/570656582.db2.gz MWOKRGPTVKBZNH-KRWDZBQOSA-N 1 2 397.862 4.097 50 0 GIAALO O=c1[nH]c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2ccc(Cl)cc12 ZINC000036386038 570656584 /nfs/dbraw/zinc/65/65/84/570656584.db2.gz MWOKRGPTVKBZNH-KRWDZBQOSA-N 1 2 397.862 4.097 50 0 GIAALO COc1ccc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000036398681 570683303 /nfs/dbraw/zinc/68/33/03/570683303.db2.gz IYUPDOIWVRIICO-FQEVSTJZSA-N 1 2 384.526 4.404 50 0 GIAALO COc1ccc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000036398681 570683309 /nfs/dbraw/zinc/68/33/09/570683309.db2.gz IYUPDOIWVRIICO-FQEVSTJZSA-N 1 2 384.526 4.404 50 0 GIAALO Cc1oc(-c2ccc(F)cc2F)nc1C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000055253187 570688906 /nfs/dbraw/zinc/68/89/06/570688906.db2.gz QXSFMKJZYNFBDC-OAHLLOKOSA-N 1 2 386.398 4.200 50 0 GIAALO Cc1oc(-c2ccc(F)cc2F)nc1C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000055253187 570688907 /nfs/dbraw/zinc/68/89/07/570688907.db2.gz QXSFMKJZYNFBDC-OAHLLOKOSA-N 1 2 386.398 4.200 50 0 GIAALO CSc1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000055254089 570689285 /nfs/dbraw/zinc/68/92/85/570689285.db2.gz UPHMBBBVOKMBKH-OAHLLOKOSA-N 1 2 395.450 4.312 50 0 GIAALO CSc1ncc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cn1 ZINC000055254089 570689289 /nfs/dbraw/zinc/68/92/89/570689289.db2.gz UPHMBBBVOKMBKH-OAHLLOKOSA-N 1 2 395.450 4.312 50 0 GIAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2NCc1ccc2c(c1)OCO2 ZINC000004354833 570691565 /nfs/dbraw/zinc/69/15/65/570691565.db2.gz QFOMAXFJCGTKIO-UHFFFAOYSA-N 1 2 393.834 4.118 50 0 GIAALO Cc1[nH]c2ccc(NC(=O)N(Cc3cccc(C)c3)C[C@H]3CCCO3)cc2[nH+]1 ZINC000244734663 570695859 /nfs/dbraw/zinc/69/58/59/570695859.db2.gz NJQLDYQRCPFVGG-LJQANCHMSA-N 1 2 378.476 4.393 50 0 GIAALO CCOc1ccccc1N1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000055543317 570696082 /nfs/dbraw/zinc/69/60/82/570696082.db2.gz QXGZSDFXJBRIQJ-UHFFFAOYSA-N 1 2 393.300 4.309 50 0 GIAALO CCc1cccc(CC)c1NC(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000055562733 570697127 /nfs/dbraw/zinc/69/71/27/570697127.db2.gz ZHNOZFSCNKEFJF-UHFFFAOYSA-N 1 2 385.939 4.226 50 0 GIAALO O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000058159963 570712397 /nfs/dbraw/zinc/71/23/97/570712397.db2.gz WWUHFVSMWXIAIV-UHFFFAOYSA-N 1 2 384.867 4.057 50 0 GIAALO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccccc4F)CC3)n2)c1 ZINC000065184129 570722511 /nfs/dbraw/zinc/72/25/11/570722511.db2.gz DYPILSWDVSBWNQ-UHFFFAOYSA-N 1 2 394.450 4.002 50 0 GIAALO CCC[N@H+](Cc1nnc(-c2ccco2)o1)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000032665031 570730920 /nfs/dbraw/zinc/73/09/20/570730920.db2.gz ADMZOIPPZKRKGW-UHFFFAOYSA-N 1 2 393.443 4.465 50 0 GIAALO CCC[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000032665031 570730924 /nfs/dbraw/zinc/73/09/24/570730924.db2.gz ADMZOIPPZKRKGW-UHFFFAOYSA-N 1 2 393.443 4.465 50 0 GIAALO O=C(C[N@@H+]1CCc2sccc2C1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000058788826 570735910 /nfs/dbraw/zinc/73/59/10/570735910.db2.gz HYFHXNSDTSQAEM-QGZVFWFLSA-N 1 2 397.569 4.470 50 0 GIAALO O=C(C[N@H+]1CCc2sccc2C1)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000058788826 570735912 /nfs/dbraw/zinc/73/59/12/570735912.db2.gz HYFHXNSDTSQAEM-QGZVFWFLSA-N 1 2 397.569 4.470 50 0 GIAALO COc1cccc(CSc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)c1 ZINC000032691314 570742169 /nfs/dbraw/zinc/74/21/69/570742169.db2.gz SHQTYIUNSIMYCT-CQSZACIVSA-N 1 2 386.496 4.330 50 0 GIAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(C2CCCCC2)cc1 ZINC000052537478 570752922 /nfs/dbraw/zinc/75/29/22/570752922.db2.gz ZBLBVESPANLDBZ-UHFFFAOYSA-N 1 2 377.532 4.495 50 0 GIAALO O=C(c1ccccc1)N1CCC[C@@]2(C1)Nc1ccccc1NC2=[NH+]C1CCCC1 ZINC000065260003 570761799 /nfs/dbraw/zinc/76/17/99/570761799.db2.gz DOXTXWORBBVLDG-DEOSSOPVSA-N 1 2 388.515 4.349 50 0 GIAALO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1ccsc1)C2 ZINC000065260081 570762188 /nfs/dbraw/zinc/76/21/88/570762188.db2.gz WGFZSUUENPZBRQ-NRFANRHFSA-N 1 2 382.533 4.267 50 0 GIAALO CC/C=C\CCc1c(-c2ccccc2)[nH+]cn1[C@@H](C)c1nncn1CCOC ZINC000065407423 570766882 /nfs/dbraw/zinc/76/68/82/570766882.db2.gz OPSWBZKAARJNRL-XFHJGTJQSA-N 1 2 379.508 4.296 50 0 GIAALO CCOC(=O)C[C@H](C)n1c[nH+]c(-c2ccccc2)c1CCn1nc(C)cc1C ZINC000065492176 570770581 /nfs/dbraw/zinc/77/05/81/570770581.db2.gz UXZGWLQDXQUPPD-KRWDZBQOSA-N 1 2 380.492 4.120 50 0 GIAALO C[C@@H](NC(=O)CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2)c1cccs1 ZINC000032752916 570792239 /nfs/dbraw/zinc/79/22/39/570792239.db2.gz HPERAFSEMJFPLG-SNVBAGLBSA-N 1 2 386.477 4.281 50 0 GIAALO O=C(COc1ccc(Cl)c2cccnc12)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000051082958 570793864 /nfs/dbraw/zinc/79/38/64/570793864.db2.gz FPFIYLVZEACFHY-UHFFFAOYSA-N 1 2 378.819 4.091 50 0 GIAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc12 ZINC000033084530 570806188 /nfs/dbraw/zinc/80/61/88/570806188.db2.gz CBCGNGIXMDZDQQ-UHFFFAOYSA-N 1 2 399.853 4.425 50 0 GIAALO Cc1cccc(S(=O)(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)c1 ZINC000033116575 570814579 /nfs/dbraw/zinc/81/45/79/570814579.db2.gz ALRYIEIRFRDBCW-UHFFFAOYSA-N 1 2 391.496 4.457 50 0 GIAALO Cc1cc(C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N2CCCC2)[nH+]c1 ZINC000033128448 570817903 /nfs/dbraw/zinc/81/79/03/570817903.db2.gz MVTDAKMFWWVTJH-UHFFFAOYSA-N 1 2 378.451 4.481 50 0 GIAALO Nc1nc(C[NH2+][C@@H](c2cccs2)c2ccccc2)nc(Nc2ccccc2)n1 ZINC000012512808 570824704 /nfs/dbraw/zinc/82/47/04/570824704.db2.gz WBNJIKGFRBZHBO-LJQANCHMSA-N 1 2 388.500 4.138 50 0 GIAALO CCCCCc1[nH+]c2ccccc2n1CC(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000012525103 570830171 /nfs/dbraw/zinc/83/01/71/570830171.db2.gz RGROFROGZRXOQD-INIZCTEOSA-N 1 2 393.487 4.375 50 0 GIAALO C[N@@H+]1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000037181258 570846677 /nfs/dbraw/zinc/84/66/77/570846677.db2.gz FPZGPPIDKJQLDD-QHCPKHFHSA-N 1 2 398.572 4.412 50 0 GIAALO C[N@H+]1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000037181258 570846682 /nfs/dbraw/zinc/84/66/82/570846682.db2.gz FPZGPPIDKJQLDD-QHCPKHFHSA-N 1 2 398.572 4.412 50 0 GIAALO C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012551918 570855284 /nfs/dbraw/zinc/85/52/84/570855284.db2.gz QCEFUNWBFNEARH-QGZVFWFLSA-N 1 2 377.488 4.426 50 0 GIAALO COc1ccc(OC)c([C@H](C)NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000032862974 570861242 /nfs/dbraw/zinc/86/12/42/570861242.db2.gz NHBMUXITUAYFTN-CVEARBPZSA-N 1 2 394.475 4.011 50 0 GIAALO O=C(Nc1cccc(OCCn2cc[nH+]c2)c1)c1ccc(Br)s1 ZINC000042707039 570892789 /nfs/dbraw/zinc/89/27/89/570892789.db2.gz MMVJJEBCGZVASG-UHFFFAOYSA-N 1 2 392.278 4.038 50 0 GIAALO Cc1cccc(CN(Cc2ccccc2)C(=O)N[C@@H](c2[nH+]ccn2C)C(C)C)n1 ZINC000534637031 570912386 /nfs/dbraw/zinc/91/23/86/570912386.db2.gz LRZFELFJIVXXMW-OAQYLSRUSA-N 1 2 391.519 4.233 50 0 GIAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)[nH+]1 ZINC000017013183 570923885 /nfs/dbraw/zinc/92/38/85/570923885.db2.gz FICPGEHTMJWYAN-UHFFFAOYSA-N 1 2 383.402 4.125 50 0 GIAALO O=C(C[NH+]1CCCCC1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000001078198 570931210 /nfs/dbraw/zinc/93/12/10/570931210.db2.gz YAXCJROEZSZQHN-UHFFFAOYSA-N 1 2 397.544 4.304 50 0 GIAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011361919 570986013 /nfs/dbraw/zinc/98/60/13/570986013.db2.gz YQLSIBPGPSVYED-UHFFFAOYSA-N 1 2 388.427 4.083 50 0 GIAALO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)CCCC2 ZINC000252536632 570991069 /nfs/dbraw/zinc/99/10/69/570991069.db2.gz JAKUBNJFPDQBMY-KKVAFCGZSA-N 1 2 385.458 4.044 50 0 GIAALO C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000108993351 570994691 /nfs/dbraw/zinc/99/46/91/570994691.db2.gz KBLRCTJHXCLRNB-KGLIPLIRSA-N 1 2 393.940 4.434 50 0 GIAALO C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000108993351 570994693 /nfs/dbraw/zinc/99/46/93/570994693.db2.gz KBLRCTJHXCLRNB-KGLIPLIRSA-N 1 2 393.940 4.434 50 0 GIAALO Cc1coc(-c2ccc(C)c(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)c2)n1 ZINC000121218049 823140966 /nfs/dbraw/zinc/14/09/66/823140966.db2.gz WBPSZLDHMFIEAL-UHFFFAOYSA-N 1 2 391.475 4.275 50 0 GIAALO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2C(C)C)ccc1OC(F)F ZINC000003540954 817480923 /nfs/dbraw/zinc/48/09/23/817480923.db2.gz DNDVNBXGIPSLRK-UHFFFAOYSA-N 1 2 392.446 4.491 50 0 GIAALO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2C(C)C)ccc1OC(F)F ZINC000003540954 817480930 /nfs/dbraw/zinc/48/09/30/817480930.db2.gz DNDVNBXGIPSLRK-UHFFFAOYSA-N 1 2 392.446 4.491 50 0 GIAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(F)cc1Cl ZINC000007927229 817960948 /nfs/dbraw/zinc/96/09/48/817960948.db2.gz RRTVCTAOTBYLIE-AWEZNQCLSA-N 1 2 382.888 4.160 50 0 GIAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(F)cc1Cl ZINC000007927229 817960953 /nfs/dbraw/zinc/96/09/53/817960953.db2.gz RRTVCTAOTBYLIE-AWEZNQCLSA-N 1 2 382.888 4.160 50 0 GIAALO Cc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(Cl)c1 ZINC000007927163 817961135 /nfs/dbraw/zinc/96/11/35/817961135.db2.gz KSPCHFMNSKZQAT-HNNXBMFYSA-N 1 2 378.925 4.330 50 0 GIAALO Cc1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(Cl)c1 ZINC000007927163 817961138 /nfs/dbraw/zinc/96/11/38/817961138.db2.gz KSPCHFMNSKZQAT-HNNXBMFYSA-N 1 2 378.925 4.330 50 0 GIAALO COc1ccc(C[N@H+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1F ZINC000007984459 817975671 /nfs/dbraw/zinc/97/56/71/817975671.db2.gz RCOYXTTWNSBEKX-MRXNPFEDSA-N 1 2 380.463 4.297 50 0 GIAALO COc1ccc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1F ZINC000007984459 817975676 /nfs/dbraw/zinc/97/56/76/817975676.db2.gz RCOYXTTWNSBEKX-MRXNPFEDSA-N 1 2 380.463 4.297 50 0 GIAALO COc1ccccc1N1C[C@@H]2C[C@@H](c3nc(C(C)C)cs3)[N@@H+]3CCC[C@@]23C1=O ZINC000012430758 818158737 /nfs/dbraw/zinc/15/87/37/818158737.db2.gz RRNTXRLNLUCFHD-VPKVUBIPSA-N 1 2 397.544 4.218 50 0 GIAALO COc1ccccc1N1C[C@@H]2C[C@@H](c3nc(C(C)C)cs3)[N@H+]3CCC[C@@]23C1=O ZINC000012430758 818158741 /nfs/dbraw/zinc/15/87/41/818158741.db2.gz RRNTXRLNLUCFHD-VPKVUBIPSA-N 1 2 397.544 4.218 50 0 GIAALO COc1ccc(C[N@H+](C)Cc2nc(CCc3ccccc3)no2)c2cccnc12 ZINC000012458310 818161871 /nfs/dbraw/zinc/16/18/71/818161871.db2.gz LGBWLKDVCGEIPH-UHFFFAOYSA-N 1 2 388.471 4.044 50 0 GIAALO COc1ccc(C[N@@H+](C)Cc2nc(CCc3ccccc3)no2)c2cccnc12 ZINC000012458310 818161879 /nfs/dbraw/zinc/16/18/79/818161879.db2.gz LGBWLKDVCGEIPH-UHFFFAOYSA-N 1 2 388.471 4.044 50 0 GIAALO CC[NH+](CC)[C@H](Cn1c(=O)c2ccccc2[nH]c1=S)c1cccc(OC)c1 ZINC000012550050 818166072 /nfs/dbraw/zinc/16/60/72/818166072.db2.gz QJMIRWZAQUGVLT-LJQANCHMSA-N 1 2 383.517 4.151 50 0 GIAALO CC1CC[NH+](Cc2csc(NC(=O)c3ccccc3Br)n2)CC1 ZINC000012983190 818199177 /nfs/dbraw/zinc/19/91/77/818199177.db2.gz PBMYPKMNLIXXLJ-UHFFFAOYSA-N 1 2 394.338 4.390 50 0 GIAALO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+](C)Cc1cccc(OC)c1 ZINC000057688807 823321638 /nfs/dbraw/zinc/32/16/38/823321638.db2.gz LYIUZSKRMHCGOU-UHFFFAOYSA-N 1 2 378.472 4.361 50 0 GIAALO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+](C)Cc1cccc(OC)c1 ZINC000057688807 823321644 /nfs/dbraw/zinc/32/16/44/823321644.db2.gz LYIUZSKRMHCGOU-UHFFFAOYSA-N 1 2 378.472 4.361 50 0 GIAALO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)cn1 ZINC000030181165 820585220 /nfs/dbraw/zinc/58/52/20/820585220.db2.gz ZJVFFXSRZVWGTN-UHFFFAOYSA-N 1 2 395.503 4.216 50 0 GIAALO Cc1sc(NC(=O)[C@H](C)n2cc[nH+]c2)nc1-c1ccc(OC(F)F)cc1 ZINC000040145234 821149012 /nfs/dbraw/zinc/14/90/12/821149012.db2.gz HIXMWIPDITUFOD-JTQLQIEISA-N 1 2 378.404 4.116 50 0 GIAALO CCCCN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccccc1 ZINC000040157959 821152891 /nfs/dbraw/zinc/15/28/91/821152891.db2.gz BMONJYNBCUDRQK-UHFFFAOYSA-N 1 2 390.487 4.359 50 0 GIAALO CC[C@@H](CO)N(Cc1ccco1)C(=O)c1cccc(-c2cc(C)[nH+]c(C)c2)c1 ZINC000426359157 529506932 /nfs/dbraw/zinc/50/69/32/529506932.db2.gz XVHRYUNLEKZLLN-NRFANRHFSA-N 1 2 378.472 4.372 50 0 GIAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)C[C@H]4CC4(C)C)csc3C2)nc1 ZINC000426518881 529642678 /nfs/dbraw/zinc/64/26/78/529642678.db2.gz ZOXMZQIQZRBQRE-QGZVFWFLSA-N 1 2 397.588 4.382 50 0 GIAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)C[C@H]4CC4(C)C)csc3C2)nc1 ZINC000426518881 529642683 /nfs/dbraw/zinc/64/26/83/529642683.db2.gz ZOXMZQIQZRBQRE-QGZVFWFLSA-N 1 2 397.588 4.382 50 0 GIAALO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2sc(N(C)C)nc2Cl)C1 ZINC000019221783 210231950 /nfs/dbraw/zinc/23/19/50/210231950.db2.gz JXGFCGLSANWZBU-GFCCVEGCSA-N 1 2 383.970 4.327 50 0 GIAALO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2sc(N(C)C)nc2Cl)C1 ZINC000019221783 210231953 /nfs/dbraw/zinc/23/19/53/210231953.db2.gz JXGFCGLSANWZBU-GFCCVEGCSA-N 1 2 383.970 4.327 50 0 GIAALO COc1ccccc1Nc1ncc2c(n1)CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000015778845 210169155 /nfs/dbraw/zinc/16/91/55/210169155.db2.gz UYEIKRBERHGXEY-UHFFFAOYSA-N 1 2 380.879 4.441 50 0 GIAALO COc1ccccc1Nc1ncc2c(n1)CC[N@H+](Cc1ccccc1Cl)C2 ZINC000015778845 210169159 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50 0 GIAALO O=C([C@@H]([NH2+][C@@H](c1cccs1)c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000014141758 210105707 /nfs/dbraw/zinc/10/57/07/210105707.db2.gz UFQPPOOHNTXODH-YADHBBJMSA-N 1 2 392.524 4.027 50 0 GIAALO O=C(/C=C/c1ccccc1)N[C@@H]([NH2+]C1CCCCC1)C(Cl)(Cl)Cl ZINC000013301938 210057608 /nfs/dbraw/zinc/05/76/08/210057608.db2.gz MXDFEARPGGHAJN-LPQFERQCSA-N 1 2 375.727 4.435 50 0 GIAALO CCc1ccccc1Nc1nc(N)nc(C[N@H+](C)Cc2ccc(Cl)cc2)n1 ZINC000013061838 210049844 /nfs/dbraw/zinc/04/98/44/210049844.db2.gz RLMQTTLIGNLBBG-UHFFFAOYSA-N 1 2 382.899 4.045 50 0 GIAALO CCc1ccccc1Nc1nc(N)nc(C[N@@H+](C)Cc2ccc(Cl)cc2)n1 ZINC000013061838 210049847 /nfs/dbraw/zinc/04/98/47/210049847.db2.gz RLMQTTLIGNLBBG-UHFFFAOYSA-N 1 2 382.899 4.045 50 0 GIAALO c1csc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCCO4)n2)c1 ZINC000012976843 210038169 /nfs/dbraw/zinc/03/81/69/210038169.db2.gz DASVWUBLMKEAKA-HNNXBMFYSA-N 1 2 383.473 4.297 50 0 GIAALO c1csc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCCO4)n2)c1 ZINC000012976843 210038173 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Cc1nc(-c2ccccn2)sc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022290250 570312354 /nfs/dbraw/zinc/31/23/54/570312354.db2.gz ZFQXHRNSFYLSPB-UHFFFAOYSA-N 1 2 399.545 4.208 50 0 GIAALO C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000014527107 570312584 /nfs/dbraw/zinc/31/25/84/570312584.db2.gz STAJZWQBKXPOSX-AWEZNQCLSA-N 1 2 393.940 4.434 50 0 GIAALO Cc1cc(N)nc(SCC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)[nH+]1 ZINC000053561816 570325617 /nfs/dbraw/zinc/32/56/17/570325617.db2.gz RJMRMFIXYAXKBK-AWEZNQCLSA-N 1 2 397.331 4.130 50 0 GIAALO COCCN1CC[NH+]([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000022862207 570332228 /nfs/dbraw/zinc/33/22/28/570332228.db2.gz RWVNNNIJTFVKHA-LJQANCHMSA-N 1 2 388.964 4.352 50 0 GIAALO CCCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000034906617 570339342 /nfs/dbraw/zinc/33/93/42/570339342.db2.gz MJOFPMSICZBNRA-UHFFFAOYSA-N 1 2 394.494 4.118 50 0 GIAALO Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCc3sccc3[C@@H]2C2CC2)n1 ZINC000023907767 570375020 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O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000026232778 570423729 /nfs/dbraw/zinc/42/37/29/570423729.db2.gz HKELVIVROHRRFY-NRFANRHFSA-N 1 2 386.451 4.058 50 0 GIAALO c1nnc2ncn3[nH]c(-c4cccc(COc5cccc6ccccc65)c4)[nH+]c3c1-2 ZINC000006449040 570424500 /nfs/dbraw/zinc/42/45/00/570424500.db2.gz DBUCUMKDMAXKFU-UHFFFAOYSA-N 1 2 392.422 4.400 50 0 GIAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000027416787 570434518 /nfs/dbraw/zinc/43/45/18/570434518.db2.gz LTQQVEKDKUOCDC-MRXNPFEDSA-N 1 2 377.341 4.097 50 0 GIAALO Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)cc(=O)c2c1 ZINC000028288466 570455218 /nfs/dbraw/zinc/45/52/18/570455218.db2.gz ZHBNPYBDXVOERR-GOSISDBHSA-N 1 2 398.890 4.096 50 0 GIAALO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)c2c[nH]c3ccc(F)cc32)CC1 ZINC000035840376 570463378 /nfs/dbraw/zinc/46/33/78/570463378.db2.gz HITUPGPATWLBFM-UHFFFAOYSA-N 1 2 385.870 4.274 50 0 GIAALO COc1ccc(C)cc1Nc1c(C(=O)N2CCSCC2)c[nH+]c2ccccc21 ZINC000064471780 570467622 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570641825 /nfs/dbraw/zinc/64/18/25/570641825.db2.gz MTEHCCLQIRNOSV-NRFANRHFSA-N 1 2 378.451 4.127 50 0 GIAALO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1C ZINC000072314361 570658763 /nfs/dbraw/zinc/65/87/63/570658763.db2.gz WEOLPFANNLLOBN-PGRDOPGGSA-N 1 2 390.531 4.204 50 0 GIAALO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1C ZINC000072314361 570658765 /nfs/dbraw/zinc/65/87/65/570658765.db2.gz WEOLPFANNLLOBN-PGRDOPGGSA-N 1 2 390.531 4.204 50 0 GIAALO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2cc(C)n[nH]2)c1 ZINC000012445846 570666185 /nfs/dbraw/zinc/66/61/85/570666185.db2.gz JPAIFXFCRBJHMF-UHFFFAOYSA-N 1 2 387.487 4.211 50 0 GIAALO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)Cc2cc(C)n[nH]2)c1 ZINC000012445846 570666188 /nfs/dbraw/zinc/66/61/88/570666188.db2.gz JPAIFXFCRBJHMF-UHFFFAOYSA-N 1 2 387.487 4.211 50 0 GIAALO Cc1ncc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)cn1 ZINC000012591954 570687521 /nfs/dbraw/zinc/68/75/21/570687521.db2.gz DCIAQENMPVDQPW-JOCHJYFZSA-N 1 2 390.462 4.194 50 0 GIAALO Cc1ncc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)cn1 ZINC000012591954 570687525 /nfs/dbraw/zinc/68/75/25/570687525.db2.gz DCIAQENMPVDQPW-JOCHJYFZSA-N 1 2 390.462 4.194 50 0 GIAALO COc1ccc([C@@H]([NH2+]CC(=O)c2[nH]c(C)c(C(C)=O)c2C)c2ccccc2)cc1 ZINC000058157212 570711337 /nfs/dbraw/zinc/71/13/37/570711337.db2.gz PQSHNDXUCMYBJJ-DEOSSOPVSA-N 1 2 390.483 4.405 50 0 GIAALO COc1ccc(CC(=O)NCc2c(C)cc(C)[nH+]c2-c2ccc(OC)cc2)cc1 ZINC000065171113 570720097 /nfs/dbraw/zinc/72/00/97/570720097.db2.gz DEIHSQDXJVRDKK-UHFFFAOYSA-N 1 2 390.483 4.242 50 0 GIAALO C[N@H+](Cc1cc(C(=O)N2CC[C@H](C3CCCCC3)C2)no1)Cc1ccccc1 ZINC000012456795 570734223 /nfs/dbraw/zinc/73/42/23/570734223.db2.gz NKMNWNQZLMGPRQ-FQEVSTJZSA-N 1 2 381.520 4.349 50 0 GIAALO C[N@@H+](Cc1cc(C(=O)N2CC[C@H](C3CCCCC3)C2)no1)Cc1ccccc1 ZINC000012456795 570734225 /nfs/dbraw/zinc/73/42/25/570734225.db2.gz NKMNWNQZLMGPRQ-FQEVSTJZSA-N 1 2 381.520 4.349 50 0 GIAALO 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GIAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3n2C)C1 ZINC000095512892 211262383 /nfs/dbraw/zinc/26/23/83/211262383.db2.gz BGYTUIQSAPWSQV-MRXNPFEDSA-N 1 2 382.483 4.334 50 0 GIAALO CC[C@@H](C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1)c1ccccc1 ZINC000095503191 211254420 /nfs/dbraw/zinc/25/44/20/211254420.db2.gz PQBOPEGJVNJRDF-JOCHJYFZSA-N 1 2 388.515 4.226 50 0 GIAALO Clc1ccc(OCc2cccnc2)c(C[N@@H+]2CCc3c(ncn3C3CC3)C2)c1 ZINC000095394561 211238909 /nfs/dbraw/zinc/23/89/09/211238909.db2.gz OLYMSFFPFYEQOS-UHFFFAOYSA-N 1 2 394.906 4.404 50 0 GIAALO Clc1ccc(OCc2cccnc2)c(C[N@H+]2CCc3c(ncn3C3CC3)C2)c1 ZINC000095394561 211238915 /nfs/dbraw/zinc/23/89/15/211238915.db2.gz OLYMSFFPFYEQOS-UHFFFAOYSA-N 1 2 394.906 4.404 50 0 GIAALO Clc1ccc(OCc2cccnc2)c(CN2CCc3c([nH+]cn3C3CC3)C2)c1 ZINC000095394561 211238920 /nfs/dbraw/zinc/23/89/20/211238920.db2.gz OLYMSFFPFYEQOS-UHFFFAOYSA-N 1 2 394.906 4.404 50 0 GIAALO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2C1 ZINC000095466289 211246069 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GIAALO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000078822156 211148412 /nfs/dbraw/zinc/14/84/12/211148412.db2.gz KMXCDGBGQWXGCG-CYBMUJFWSA-N 1 2 380.895 4.038 50 0 GIAALO Cc1oc(-c2ccccc2Cl)nc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000072418610 211115819 /nfs/dbraw/zinc/11/58/19/211115819.db2.gz UVSZMDMGMGHGQV-UHFFFAOYSA-N 1 2 382.895 4.016 50 0 GIAALO COc1ccccc1NC(=O)Nc1ccc(Nc2nc(N(C)C)cc(C)[nH+]2)cc1 ZINC000072115905 211068845 /nfs/dbraw/zinc/06/88/45/211068845.db2.gz XJFQUWLUEWMVGW-UHFFFAOYSA-N 1 2 392.463 4.247 50 0 GIAALO O=C(CCn1cc[nH+]c1)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071762715 211060130 /nfs/dbraw/zinc/06/01/30/211060130.db2.gz DHVMWUBBNQCTSC-MRXNPFEDSA-N 1 2 379.426 4.163 50 0 GIAALO COc1ccc2cc([C@H]3C[N@H+](Cc4cc(OC)cc(OC)c4)CCO3)ccc2c1 ZINC000071751340 211055118 /nfs/dbraw/zinc/05/51/18/211055118.db2.gz OYRUDQIHHTZSQL-XMMPIXPASA-N 1 2 393.483 4.439 50 0 GIAALO COc1ccc2cc([C@H]3C[N@@H+](Cc4cc(OC)cc(OC)c4)CCO3)ccc2c1 ZINC000071751340 211055123 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COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2nc(-c3cccs3)oc2C)cc1 ZINC000058023287 210904993 /nfs/dbraw/zinc/90/49/93/210904993.db2.gz QPUYKVSBFRMESY-SFHVURJKSA-N 1 2 397.500 4.323 50 0 GIAALO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2nc(-c3cccs3)oc2C)cc1 ZINC000058023287 210904998 /nfs/dbraw/zinc/90/49/98/210904998.db2.gz QPUYKVSBFRMESY-SFHVURJKSA-N 1 2 397.500 4.323 50 0 GIAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(F)cc4)C3)no2)cc1 ZINC000021724600 210391556 /nfs/dbraw/zinc/39/15/56/210391556.db2.gz YBEQCUUQVXFWGL-KRWDZBQOSA-N 1 2 394.450 4.035 50 0 GIAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(F)cc4)C3)no2)cc1 ZINC000021724600 210391561 /nfs/dbraw/zinc/39/15/61/210391561.db2.gz YBEQCUUQVXFWGL-KRWDZBQOSA-N 1 2 394.450 4.035 50 0 GIAALO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4C)C3)no2)cc1 ZINC000021724636 210391438 /nfs/dbraw/zinc/39/14/38/210391438.db2.gz XUJHJKRUGBWBSC-LJQANCHMSA-N 1 2 390.487 4.204 50 0 GIAALO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4C)C3)no2)cc1 ZINC000021724636 210391440 /nfs/dbraw/zinc/39/14/40/210391440.db2.gz XUJHJKRUGBWBSC-LJQANCHMSA-N 1 2 390.487 4.204 50 0 GIAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)c3ccc(Cl)cc3)cc12 ZINC000021116074 210377863 /nfs/dbraw/zinc/37/78/63/210377863.db2.gz YYTHPRUJHNMQLN-UHFFFAOYSA-N 1 2 381.863 4.286 50 0 GIAALO Cc1ccc(C(=O)NC[C@H](c2cccnc2)[N@@H+]2CCc3ccccc3C2)cc1C ZINC000020902050 210368669 /nfs/dbraw/zinc/36/86/69/210368669.db2.gz BSAKDLPTNFWONR-XMMPIXPASA-N 1 2 385.511 4.228 50 0 GIAALO Cc1ccc(C(=O)NC[C@H](c2cccnc2)[N@H+]2CCc3ccccc3C2)cc1C ZINC000020902050 210368672 /nfs/dbraw/zinc/36/86/72/210368672.db2.gz BSAKDLPTNFWONR-XMMPIXPASA-N 1 2 385.511 4.228 50 0 GIAALO COc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](N(C)CCc4ccccn4)C3)c(C)c2c1 ZINC000020598784 210351415 /nfs/dbraw/zinc/35/14/15/210351415.db2.gz GDXMJYPCIAGSQD-HXUWFJFHSA-N 1 2 392.547 4.019 50 0 GIAALO COc1ccc2[nH]c(C[N@H+]3CCC[C@@H](N(C)CCc4ccccn4)C3)c(C)c2c1 ZINC000020598784 210351418 /nfs/dbraw/zinc/35/14/18/210351418.db2.gz GDXMJYPCIAGSQD-HXUWFJFHSA-N 1 2 392.547 4.019 50 0 GIAALO NC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(Oc3ccccc3)nc2)s1 ZINC000019838460 210302662 /nfs/dbraw/zinc/30/26/62/210302662.db2.gz GHFCQMDGSKXGPI-QGZVFWFLSA-N 1 2 379.485 4.371 50 0 GIAALO NC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(Oc3ccccc3)nc2)s1 ZINC000019838460 210302666 /nfs/dbraw/zinc/30/26/66/210302666.db2.gz GHFCQMDGSKXGPI-QGZVFWFLSA-N 1 2 379.485 4.371 50 0 GIAALO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2nc3cc(F)ccc3[nH]2)CC1 ZINC000019798664 210298243 /nfs/dbraw/zinc/29/82/43/210298243.db2.gz SBIJWISGTDAFHV-UHFFFAOYSA-N 1 2 395.478 4.090 50 0 GIAALO Cc1occc1C(=O)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000019882895 210303941 /nfs/dbraw/zinc/30/39/41/210303941.db2.gz AHQNSWDUCDSVMR-QFIPXVFZSA-N 1 2 394.446 4.093 50 0 GIAALO Cc1occc1C(=O)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000019882895 210303945 /nfs/dbraw/zinc/30/39/45/210303945.db2.gz AHQNSWDUCDSVMR-QFIPXVFZSA-N 1 2 394.446 4.093 50 0 GIAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000011821652 221128786 /nfs/dbraw/zinc/12/87/86/221128786.db2.gz KFKDYXPRTGSSPQ-QFIPXVFZSA-N 1 2 388.471 4.262 50 0 GIAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000011821652 221128789 /nfs/dbraw/zinc/12/87/89/221128789.db2.gz KFKDYXPRTGSSPQ-QFIPXVFZSA-N 1 2 388.471 4.262 50 0 GIAALO Cc1c[nH]c(CN(C)C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)[nH+]1 ZINC000011820026 221129295 /nfs/dbraw/zinc/12/92/95/221129295.db2.gz CTUMYJGOXJUMSU-UHFFFAOYSA-N 1 2 388.471 4.307 50 0 GIAALO Cc1c2ccccc2oc1[C@@H](C)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119111349 136192266 /nfs/dbraw/zinc/19/22/66/136192266.db2.gz MCEJKTSYRJTNGM-MRXNPFEDSA-N 1 2 394.475 4.164 50 0 GIAALO Cc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc(N4CCCC4=O)cc3)n2)cc1F ZINC000012763015 525886372 /nfs/dbraw/zinc/88/63/72/525886372.db2.gz AJQIEKIINXIXLQ-HNNXBMFYSA-N 1 2 394.450 4.162 50 0 GIAALO CCc1cccc(NC(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000068835028 535897647 /nfs/dbraw/zinc/89/76/47/535897647.db2.gz MEAMKDDHIRFMGX-UHFFFAOYSA-N 1 2 391.437 4.029 50 0 GIAALO COc1c(Cl)cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1Cl ZINC000048265104 570225785 /nfs/dbraw/zinc/22/57/85/570225785.db2.gz QJXWYANYHFQZEL-INIZCTEOSA-N 1 2 390.270 4.255 50 0 GIAALO Brc1csc(-c2noc(C[N@@H+]3CCc4ccccc4C3)n2)c1 ZINC000048303183 570235235 /nfs/dbraw/zinc/23/52/35/570235235.db2.gz XVGKHDKSAYVCFP-UHFFFAOYSA-N 1 2 376.279 4.119 50 0 GIAALO Brc1csc(-c2noc(C[N@H+]3CCc4ccccc4C3)n2)c1 ZINC000048303183 570235239 /nfs/dbraw/zinc/23/52/39/570235239.db2.gz XVGKHDKSAYVCFP-UHFFFAOYSA-N 1 2 376.279 4.119 50 0 GIAALO C[C@H](Sc1[nH+]cnc2c1cnn2C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000048364038 570245289 /nfs/dbraw/zinc/24/52/89/570245289.db2.gz FDJYUZRBHQFOHJ-AWEZNQCLSA-N 1 2 389.484 4.469 50 0 GIAALO CCN(C(=O)c1ccc(-c2ccc(-c3c[nH]c[nH+]3)cc2)cc1)C1CCOCC1 ZINC000584901733 570271143 /nfs/dbraw/zinc/27/11/43/570271143.db2.gz HHGUFMHHXDAIOU-UHFFFAOYSA-N 1 2 375.472 4.385 50 0 GIAALO CC(C)NC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2CC2CCCCC2)C1 ZINC000034906535 570339127 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GIAALO COc1ccc(CCNC(=O)Nc2ccccc2-c2cn3c([nH+]2)CCCC3)cc1 ZINC000575619124 570366569 /nfs/dbraw/zinc/36/65/69/570366569.db2.gz GZKSGEHMOQATBG-UHFFFAOYSA-N 1 2 390.487 4.259 50 0 GIAALO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)c1nnc(-c3ccc(F)cc3)o1)CC2 ZINC000023873119 570374478 /nfs/dbraw/zinc/37/44/78/570374478.db2.gz BBDOQVFRCMJKKP-ZDUSSCGKSA-N 1 2 383.423 4.012 50 0 GIAALO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)c1nnc(-c3ccc(F)cc3)o1)CC2 ZINC000023873119 570374483 /nfs/dbraw/zinc/37/44/83/570374483.db2.gz BBDOQVFRCMJKKP-ZDUSSCGKSA-N 1 2 383.423 4.012 50 0 GIAALO CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000023890055 570374843 /nfs/dbraw/zinc/37/48/43/570374843.db2.gz DARYPGUOJBBGCL-UHFFFAOYSA-N 1 2 378.432 4.472 50 0 GIAALO COc1cc(C[N@H+](C)Cc2nc(-c3cccs3)no2)ccc1OC(F)F ZINC000024799603 570393688 /nfs/dbraw/zinc/39/36/88/570393688.db2.gz LZDUMAAJBKZJBW-UHFFFAOYSA-N 1 2 381.404 4.040 50 0 GIAALO COc1cc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)ccc1OC(F)F ZINC000024799603 570393690 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C[N@@H+]1CCN(C(=O)CSCc2nc3ccccc3s2)[C@@H](c2ccccc2)C1 ZINC000030029464 570485085 /nfs/dbraw/zinc/48/50/85/570485085.db2.gz WGKHTKAQCYVJNW-GOSISDBHSA-N 1 2 397.569 4.045 50 0 GIAALO C[N@H+]1CCN(C(=O)CSCc2nc3ccccc3s2)[C@@H](c2ccccc2)C1 ZINC000030029464 570485086 /nfs/dbraw/zinc/48/50/86/570485086.db2.gz WGKHTKAQCYVJNW-GOSISDBHSA-N 1 2 397.569 4.045 50 0 GIAALO COc1ccc2scc(N3CC[NH+](C/C=C/c4ccccc4)CC3)c(=O)c2c1 ZINC000005202539 570505626 /nfs/dbraw/zinc/50/56/26/570505626.db2.gz ZXVGWNKZBGWZHO-VMPITWQZSA-N 1 2 392.524 4.106 50 0 GIAALO O=C(COc1ccc2ccccc2c1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000006652066 570519001 /nfs/dbraw/zinc/51/90/01/570519001.db2.gz VYBHCYPIZWLFDX-UHFFFAOYSA-N 1 2 381.501 4.300 50 0 GIAALO COc1ccccc1C[N@H+](Cc1nc(C(=O)NCC(C)C)co1)[C@@H](C)C(C)C ZINC000036069087 570526509 /nfs/dbraw/zinc/52/65/09/570526509.db2.gz RLPFRIKWLFRSIJ-KRWDZBQOSA-N 1 2 387.524 4.116 50 0 GIAALO COc1ccccc1C[N@@H+](Cc1nc(C(=O)NCC(C)C)co1)[C@@H](C)C(C)C ZINC000036069087 570526514 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1 2 380.536 4.188 50 0 GIAALO Cc1nonc1C[N@H+](C)Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1 ZINC000011844265 570588339 /nfs/dbraw/zinc/58/83/39/570588339.db2.gz PZSOZSLRHRARLZ-UHFFFAOYSA-N 1 2 387.487 4.480 50 0 GIAALO Cc1nonc1C[N@@H+](C)Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1 ZINC000011844265 570588343 /nfs/dbraw/zinc/58/83/43/570588343.db2.gz PZSOZSLRHRARLZ-UHFFFAOYSA-N 1 2 387.487 4.480 50 0 GIAALO C[C@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000225610492 570593814 /nfs/dbraw/zinc/59/38/14/570593814.db2.gz JUPRHKWVEOZEHF-INIZCTEOSA-N 1 2 398.526 4.001 50 0 GIAALO C[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000225610492 570593820 /nfs/dbraw/zinc/59/38/20/570593820.db2.gz JUPRHKWVEOZEHF-INIZCTEOSA-N 1 2 398.526 4.001 50 0 GIAALO Cc1[nH]c(CN2CCC[C@@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)c[nH+]1 ZINC000012317430 570641767 /nfs/dbraw/zinc/64/17/67/570641767.db2.gz MTEHCCLQIRNOSV-OAQYLSRUSA-N 1 2 378.451 4.127 50 0 GIAALO Cc1[nH]cc(CN2CCC[C@@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)[nH+]1 ZINC000012317430 570641772 /nfs/dbraw/zinc/64/17/72/570641772.db2.gz MTEHCCLQIRNOSV-OAQYLSRUSA-N 1 2 378.451 4.127 50 0 GIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)c2ccc(F)cc2)cc1 ZINC000005561803 570648362 /nfs/dbraw/zinc/64/83/62/570648362.db2.gz CUNMGPAXZHHEKC-UHFFFAOYSA-N 1 2 378.432 4.238 50 0 GIAALO Cc1c([C@@H](C)[NH2+]Cc2nc3ccc(F)cc3[nH]2)cnn1-c1ccc(F)cc1F ZINC000012444818 570665591 /nfs/dbraw/zinc/66/55/91/570665591.db2.gz WWDDHAXTHYBXFX-LLVKDONJSA-N 1 2 385.393 4.325 50 0 GIAALO CCOc1ccc(NC(=O)C2CCN(c3[nH+]cccc3-n3cccc3)CC2)cc1 ZINC000033034566 570671157 /nfs/dbraw/zinc/67/11/57/570671157.db2.gz LJODTHBNMSJWKE-UHFFFAOYSA-N 1 2 390.487 4.126 50 0 GIAALO Cc1cccc(N2CC[NH+](CC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)c1C ZINC000054225181 570676611 /nfs/dbraw/zinc/67/66/11/570676611.db2.gz WZXFDFAGBNFFGI-UHFFFAOYSA-N 1 2 392.330 4.371 50 0 GIAALO CCOc1ccccc1N1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000055071838 570681500 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c1c2ccccc2oc1CN1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000020453077 210336565 /nfs/dbraw/zinc/33/65/65/210336565.db2.gz RBOPLZLSDRYXJS-QFIPXVFZSA-N 1 2 375.516 4.219 50 0 GIAALO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019990371 210310020 /nfs/dbraw/zinc/31/00/20/210310020.db2.gz DGQUQXPXSFNQBX-QPJJXVBHSA-N 1 2 375.299 4.465 50 0 GIAALO CC(C)(C)c1ccc(NC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019834888 210303296 /nfs/dbraw/zinc/30/32/96/210303296.db2.gz OSDZZIRUUBSPEL-UHFFFAOYSA-N 1 2 395.503 4.063 50 0 GIAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000019859194 210304584 /nfs/dbraw/zinc/30/45/84/210304584.db2.gz SSJWOGBKSLTVDZ-UHFFFAOYSA-N 1 2 386.495 4.289 50 0 GIAALO Cc1ccc(OCC[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000019620080 210274759 /nfs/dbraw/zinc/27/47/59/210274759.db2.gz HFHRLRDKAGIAMQ-UHFFFAOYSA-N 1 2 393.314 4.139 50 0 GIAALO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2)cc1 ZINC000009884388 221093239 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O=C(N[C@@H]1CCN(c2[nH+]c3ccccc3n2C2CCCC2)C1)c1cccs1 ZINC000034907215 570339391 /nfs/dbraw/zinc/33/93/91/570339391.db2.gz KSBABIWGDVZKKL-OAHLLOKOSA-N 1 2 380.517 4.222 50 0 GIAALO COc1ccc2[nH]c(C)c(C(=O)C[N@@H+]3CCc4cc(O)c(OC)cc4[C@H]3C)c2c1 ZINC000035361889 570344547 /nfs/dbraw/zinc/34/45/47/570344547.db2.gz FUXJCLUJRMGRSZ-CQSZACIVSA-N 1 2 394.471 4.001 50 0 GIAALO COc1ccc2[nH]c(C)c(C(=O)C[N@H+]3CCc4cc(O)c(OC)cc4[C@H]3C)c2c1 ZINC000035361889 570344550 /nfs/dbraw/zinc/34/45/50/570344550.db2.gz FUXJCLUJRMGRSZ-CQSZACIVSA-N 1 2 394.471 4.001 50 0 GIAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1C(=O)c1ccccc1 ZINC000023200108 570350164 /nfs/dbraw/zinc/35/01/64/570350164.db2.gz JAPBFRTZFKIMJY-UHFFFAOYSA-N 1 2 395.462 4.092 50 0 GIAALO COc1ccc(CNC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000035399814 570350302 /nfs/dbraw/zinc/35/03/02/570350302.db2.gz PWUCVOHBXKBICG-HSZRJFAPSA-N 1 2 392.524 4.021 50 0 GIAALO COc1ccc(CNC(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000035399814 570350306 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CC1CC[NH+](Cc2csc(NC(=O)c3c[nH]nc3-c3ccc(F)cc3)n2)CC1 ZINC000025011849 570402980 /nfs/dbraw/zinc/40/29/80/570402980.db2.gz JYWBGOLHITWVRB-UHFFFAOYSA-N 1 2 399.495 4.157 50 0 GIAALO CCc1[nH+]c(SCC(=O)N2CCCCC2)nc(N)c1-c1ccc(Cl)cc1 ZINC000025048809 570404011 /nfs/dbraw/zinc/40/40/11/570404011.db2.gz GMAPVYHFUXOZPJ-UHFFFAOYSA-N 1 2 390.940 4.046 50 0 GIAALO CCCCCC(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2cccc(F)c2)CC1 ZINC000033775048 570415088 /nfs/dbraw/zinc/41/50/88/570415088.db2.gz DAMRILKXWDMQQT-UHFFFAOYSA-N 1 2 398.526 4.052 50 0 GIAALO COc1ccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1Br ZINC000004981034 570421190 /nfs/dbraw/zinc/42/11/90/570421190.db2.gz FSKPFNVSTAIHHS-UHFFFAOYSA-N 1 2 389.337 4.397 50 0 GIAALO COc1ccc(C)cc1C[N@H+](C)[C@H](C(=O)Nc1cc(C)on1)c1ccccc1 ZINC000027367630 570433857 /nfs/dbraw/zinc/43/38/57/570433857.db2.gz XHIOPFCSWQUEHS-NRFANRHFSA-N 1 2 379.460 4.112 50 0 GIAALO COc1ccc(C)cc1C[N@@H+](C)[C@H](C(=O)Nc1cc(C)on1)c1ccccc1 ZINC000027367630 570433858 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CCOc1ccc(C[N@H+](Cc2nc(C(=O)N[C@@H](C)CC)co2)[C@@H](C)CC)cc1 ZINC000036063831 570525563 /nfs/dbraw/zinc/52/55/63/570525563.db2.gz TXKDWTNERJACTL-IRXDYDNUSA-N 1 2 387.524 4.402 50 0 GIAALO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)N[C@@H](C)CC)co2)[C@@H](C)CC)cc1 ZINC000036063831 570525566 /nfs/dbraw/zinc/52/55/66/570525566.db2.gz TXKDWTNERJACTL-IRXDYDNUSA-N 1 2 387.524 4.402 50 0 GIAALO CCOc1ccc(C[N@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@H](C)CC)cc1 ZINC000036063824 570525694 /nfs/dbraw/zinc/52/56/94/570525694.db2.gz SCOYIHAFBKJOIO-QGZVFWFLSA-N 1 2 387.524 4.260 50 0 GIAALO CCOc1ccc(C[N@@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@H](C)CC)cc1 ZINC000036063824 570525697 /nfs/dbraw/zinc/52/56/97/570525697.db2.gz SCOYIHAFBKJOIO-QGZVFWFLSA-N 1 2 387.524 4.260 50 0 GIAALO Fc1ccc(Cc2nsc(N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000033740415 570528806 /nfs/dbraw/zinc/52/88/06/570528806.db2.gz WWZNHJQVQCATBF-QPJJXVBHSA-N 1 2 394.519 4.103 50 0 GIAALO Cc1[nH]c2cc(C)ccc2c1C(=O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000036099482 570537055 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GIAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(CC)cc1)[NH+]1CCC(C)CC1)S2 ZINC000022853340 570557078 /nfs/dbraw/zinc/55/70/78/570557078.db2.gz QBUUTMIHXONDAN-SFHVURJKSA-N 1 2 384.549 4.443 50 0 GIAALO c1cn(Cc2ccccc2)c(Cc2nc(-c3ccc4c(c3)OCO4)cs2)[nH+]1 ZINC000040155839 570559858 /nfs/dbraw/zinc/55/98/58/570559858.db2.gz JYROJRLYTGMFOK-UHFFFAOYSA-N 1 2 375.453 4.374 50 0 GIAALO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000225417604 570572095 /nfs/dbraw/zinc/57/20/95/570572095.db2.gz BVKHDORLPOBISI-HXUWFJFHSA-N 1 2 379.570 4.416 50 0 GIAALO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2csc(C(C)(C)C)n2)C1 ZINC000225417604 570572097 /nfs/dbraw/zinc/57/20/97/570572097.db2.gz BVKHDORLPOBISI-HXUWFJFHSA-N 1 2 379.570 4.416 50 0 GIAALO CCn1cc[nH+]c1CN1CCc2ccc(NC(=O)c3ccccc3Cl)cc2C1 ZINC000012316419 570641281 /nfs/dbraw/zinc/64/12/81/570641281.db2.gz YGPDPRSTPGBCRO-UHFFFAOYSA-N 1 2 394.906 4.367 50 0 GIAALO COc1cc(C(=O)Nc2cc(C)[nH+]c3c(C)cc(C)cc23)cc(OC)c1OC ZINC000012421872 570672843 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GIAALO Cc1ncc(C[N@H+]2CCC[C@@H]2C(=O)Nc2cccc(-c3ccc(F)cc3)c2)cn1 ZINC000012592756 570688079 /nfs/dbraw/zinc/68/80/79/570688079.db2.gz WKOQEOOINBPQHN-JOCHJYFZSA-N 1 2 390.462 4.194 50 0 GIAALO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1nc2ccc(Cl)cc2n1CCO ZINC000012627549 570691970 /nfs/dbraw/zinc/69/19/70/570691970.db2.gz SMGDDFRCXXIYCI-MRXNPFEDSA-N 1 2 375.925 4.253 50 0 GIAALO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1nc2ccc(Cl)cc2n1CCO ZINC000012627549 570691975 /nfs/dbraw/zinc/69/19/75/570691975.db2.gz SMGDDFRCXXIYCI-MRXNPFEDSA-N 1 2 375.925 4.253 50 0 GIAALO Cc1cccc2[nH]c([C@H]3CCC[N@@H+]3Cc3cc(C(N)=O)oc3C(C)(C)C)nc21 ZINC000244874315 570697850 /nfs/dbraw/zinc/69/78/50/570697850.db2.gz WZFWKTXXHYRFMT-MRXNPFEDSA-N 1 2 380.492 4.198 50 0 GIAALO Cc1cccc2[nH]c([C@H]3CCC[N@H+]3Cc3cc(C(N)=O)oc3C(C)(C)C)nc21 ZINC000244874315 570697854 /nfs/dbraw/zinc/69/78/54/570697854.db2.gz WZFWKTXXHYRFMT-MRXNPFEDSA-N 1 2 380.492 4.198 50 0 GIAALO O=C(N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1c(F)ccc(F)c1F ZINC000012712510 570703141 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O=C(C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)N1CCc2ccccc2C1 ZINC000058345572 570728336 /nfs/dbraw/zinc/72/83/36/570728336.db2.gz BVLZDPGZMODXOO-FQEVSTJZSA-N 1 2 399.332 4.171 50 0 GIAALO C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)C(=O)Nc1ccc(Br)cc1 ZINC000007004035 570735598 /nfs/dbraw/zinc/73/55/98/570735598.db2.gz SEYQTFAUQUQKPD-CQSZACIVSA-N 1 2 388.309 4.488 50 0 GIAALO Cn1c(CCc2[nH]c3ccccc3[nH+]2)nnc1SCc1ccc(Cl)cc1 ZINC000000977061 570742033 /nfs/dbraw/zinc/74/20/33/570742033.db2.gz FENZQAPRPLYMET-UHFFFAOYSA-N 1 2 383.908 4.422 50 0 GIAALO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000001093873 570752656 /nfs/dbraw/zinc/75/26/56/570752656.db2.gz BDFLZMFNKYFOLP-UHFFFAOYSA-N 1 2 386.517 4.262 50 0 GIAALO C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050218 570764581 /nfs/dbraw/zinc/76/45/81/570764581.db2.gz RTMXHPPOTPKCPR-MRXNPFEDSA-N 1 2 383.517 4.209 50 0 GIAALO CCC1=NO[C@@H](Cn2c[nH+]c(-c3ccccc3)c2CCn2nc(C)cc2C)C1 ZINC000065393449 570764677 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GIAALO Cc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCCc4ccc(Cl)cc4)C3)[nH+]c2c1 ZINC000033071980 570803752 /nfs/dbraw/zinc/80/37/52/570803752.db2.gz RUESOJJWSPDJAE-QGZVFWFLSA-N 1 2 396.922 4.100 50 0 GIAALO Cc1ccc2[nH+]c(N3CCC[C@@H](C(=O)NCCc4ccc(Cl)cc4)C3)[nH]c2c1 ZINC000033071980 570803755 /nfs/dbraw/zinc/80/37/55/570803755.db2.gz RUESOJJWSPDJAE-QGZVFWFLSA-N 1 2 396.922 4.100 50 0 GIAALO CCOc1ccc(C(=O)Nc2ccc(Nc3nc(N(C)C)cc(C)[nH+]3)cc2)cc1 ZINC000033078126 570804596 /nfs/dbraw/zinc/80/45/96/570804596.db2.gz QTTOAPVYNZPHGS-UHFFFAOYSA-N 1 2 391.475 4.246 50 0 GIAALO CCc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4cccc(Cl)c4)CC3)c2c1 ZINC000033088019 570807165 /nfs/dbraw/zinc/80/71/65/570807165.db2.gz KGQQSQZGDPFSMT-UHFFFAOYSA-N 1 2 396.918 4.327 50 0 GIAALO CCc1ccc2oc(=O)cc(CN3CC[NH+](Cc4cccc(Cl)c4)CC3)c2c1 ZINC000033088019 570807167 /nfs/dbraw/zinc/80/71/67/570807167.db2.gz KGQQSQZGDPFSMT-UHFFFAOYSA-N 1 2 396.918 4.327 50 0 GIAALO O=S(=O)(Nc1cccc(CCc2[nH]c3ccccc3[nH+]2)c1)c1ccccc1F ZINC000033116570 570814112 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COc1ccc([C@@H]2CCC[N@H+]2Cn2ncn(-c3ccc(OC)cc3)c2=S)cc1 ZINC000012597736 570885541 /nfs/dbraw/zinc/88/55/41/570885541.db2.gz BKPMVJMIUHKGJM-FQEVSTJZSA-N 1 2 396.516 4.215 50 0 GIAALO Cc1c2cc(F)ccc2oc1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000012604387 570888255 /nfs/dbraw/zinc/88/82/55/570888255.db2.gz BYAYSBCITKQNCS-SFHVURJKSA-N 1 2 381.382 4.272 50 0 GIAALO O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000105354035 570922083 /nfs/dbraw/zinc/92/20/83/570922083.db2.gz AFPDENUWZCCHGL-UHFFFAOYSA-N 1 2 381.411 4.079 50 0 GIAALO CCC[N@@H+](Cc1ccc(C)cc1)Cn1nc(N(C(C)=O)C2CC2)sc1=S ZINC000032932595 570945542 /nfs/dbraw/zinc/94/55/42/570945542.db2.gz FURAWESYBYWALN-UHFFFAOYSA-N 1 2 390.578 4.368 50 0 GIAALO CCC[N@H+](Cc1ccc(C)cc1)Cn1nc(N(C(C)=O)C2CC2)sc1=S ZINC000032932595 570945547 /nfs/dbraw/zinc/94/55/47/570945547.db2.gz FURAWESYBYWALN-UHFFFAOYSA-N 1 2 390.578 4.368 50 0 GIAALO CC(C)(C)c1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000001322680 570958728 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385.241 4.447 50 0 GIAALO C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000107544200 570974804 /nfs/dbraw/zinc/97/48/04/570974804.db2.gz KOLRKWMEMGXTJV-DLBZAZTESA-N 1 2 385.241 4.447 50 0 GIAALO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@H]1CCCN1Cc1[nH]cc[nH+]1 ZINC000045962892 571008236 /nfs/dbraw/zinc/00/82/36/571008236.db2.gz HOFWGDJDWZBRQB-OAQYLSRUSA-N 1 2 385.471 4.161 50 0 GIAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2Cl)c1 ZINC000007717226 571019960 /nfs/dbraw/zinc/01/99/60/571019960.db2.gz ASBXKWMMCRNJQW-SFHVURJKSA-N 1 2 392.858 4.272 50 0 GIAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2Cl)c1 ZINC000007717226 571019964 /nfs/dbraw/zinc/01/99/64/571019964.db2.gz ASBXKWMMCRNJQW-SFHVURJKSA-N 1 2 392.858 4.272 50 0 GIAALO CC[NH+](CC)c1ccc(Nc2nc3ccccc3c(N3CCOCC3)n2)cc1 ZINC000003229343 817424903 /nfs/dbraw/zinc/42/49/03/817424903.db2.gz JOVLDDBLQKKSJQ-UHFFFAOYSA-N 1 2 377.492 4.056 50 0 GIAALO C[N@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1cccc(Cl)c1 ZINC000003331439 817438345 /nfs/dbraw/zinc/43/83/45/817438345.db2.gz DBULFEIGCKWKKG-UHFFFAOYSA-N 1 2 385.664 4.312 50 0 GIAALO C[N@@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1cccc(Cl)c1 ZINC000003331439 817438355 /nfs/dbraw/zinc/43/83/55/817438355.db2.gz DBULFEIGCKWKKG-UHFFFAOYSA-N 1 2 385.664 4.312 50 0 GIAALO Cc1c(-c2ccccc2)sc2ncnc(N3CCN(c4cccc[nH+]4)CC3)c12 ZINC000007786058 817914661 /nfs/dbraw/zinc/91/46/61/817914661.db2.gz CSEAOFYIVGPWDC-UHFFFAOYSA-N 1 2 387.512 4.388 50 0 GIAALO C[C@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000007989860 817977386 /nfs/dbraw/zinc/97/73/86/817977386.db2.gz LZLSMEOHBAVPNZ-ROUUACIJSA-N 1 2 376.504 4.438 50 0 GIAALO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(F)c(F)c1 ZINC000008202087 818017029 /nfs/dbraw/zinc/01/70/29/818017029.db2.gz UCVXFNVXGOXLOE-UHFFFAOYSA-N 1 2 387.455 4.393 50 0 GIAALO COCC1CC[NH+](Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000011661094 818106757 /nfs/dbraw/zinc/10/67/57/818106757.db2.gz XYPQCOBQQQTCFN-UHFFFAOYSA-N 1 2 377.488 4.108 50 0 GIAALO C[C@H](NC(=O)/C=C\c1c(Cl)nc2ccccn12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000033462803 821056232 /nfs/dbraw/zinc/05/62/32/821056232.db2.gz IBHRXZSHJOVYTR-KVPUOBJLSA-N 1 2 391.862 4.064 50 0 GIAALO Cn1cccc1C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000040072082 821131220 /nfs/dbraw/zinc/13/12/20/821131220.db2.gz IEIWRLDQIIWOIL-UHFFFAOYSA-N 1 2 399.947 4.365 50 0 GIAALO C[C@@H](CNc1nc(-c2cccnc2)nc2sc3c(c21)CCC3)Cn1cc[nH+]c1 ZINC000040139250 821146605 /nfs/dbraw/zinc/14/66/05/821146605.db2.gz UROUWMZSCSIRTB-AWEZNQCLSA-N 1 2 390.516 4.187 50 0 GIAALO COc1ccccc1NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000042742826 821329740 /nfs/dbraw/zinc/32/97/40/821329740.db2.gz NPXYVMYJAVPVOB-UHFFFAOYSA-N 1 2 399.878 4.308 50 0 GIAALO OCC1CCN(c2[nH+]cccc2NCc2ccc(Oc3ccccc3)o2)CC1 ZINC000181037149 821604873 /nfs/dbraw/zinc/60/48/73/821604873.db2.gz UENREIFEKCCYNQ-UHFFFAOYSA-N 1 2 379.460 4.288 50 0 GIAALO C[C@H](NC(=O)Nc1ccc2c(c1)OC(C)(C)O2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000048541081 822670980 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GIAALO CSc1cccc(Nc2c(C(=O)N3CCOCC3)c[nH+]c3ccccc32)c1 ZINC000016840161 210199358 /nfs/dbraw/zinc/19/93/58/210199358.db2.gz MEVAPVALEWSLGF-UHFFFAOYSA-N 1 2 379.485 4.173 50 0 GIAALO O=C1CC2(CCCCC2)C(=O)N1C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000014189739 210108842 /nfs/dbraw/zinc/10/88/42/210108842.db2.gz QKRORHQLOBIBPV-INIZCTEOSA-N 1 2 383.517 4.100 50 0 GIAALO O=C1CC2(CCCCC2)C(=O)N1C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000014189739 210108846 /nfs/dbraw/zinc/10/88/46/210108846.db2.gz QKRORHQLOBIBPV-INIZCTEOSA-N 1 2 383.517 4.100 50 0 GIAALO FC(F)Oc1ccc(NC(=S)NNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000013684354 210080002 /nfs/dbraw/zinc/08/00/02/210080002.db2.gz XPOOBDKNHIDPGI-UHFFFAOYSA-N 1 2 394.834 4.225 50 0 GIAALO CSc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000013320035 210057812 /nfs/dbraw/zinc/05/78/12/210057812.db2.gz YZXAVKPEAGMJHY-UHFFFAOYSA-N 1 2 375.925 4.412 50 0 GIAALO Cc1cccc(N2CC[NH+](CC(=O)N[C@@H]3CCCC[C@@H]3C(C)(C)C)CC2)c1C ZINC000013323422 210056435 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CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000225559345 570588520 /nfs/dbraw/zinc/58/85/20/570588520.db2.gz GCCDGTQGKBNYKM-OAHLLOKOSA-N 1 2 389.455 4.147 50 0 GIAALO CCc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)o1 ZINC000012053673 570601377 /nfs/dbraw/zinc/60/13/77/570601377.db2.gz IIFPHOLLCJZVMJ-NRFANRHFSA-N 1 2 378.476 4.021 50 0 GIAALO CCc1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc(-n3cccn3)cc2)o1 ZINC000012053673 570601381 /nfs/dbraw/zinc/60/13/81/570601381.db2.gz IIFPHOLLCJZVMJ-NRFANRHFSA-N 1 2 378.476 4.021 50 0 GIAALO CCc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)o1 ZINC000012053671 570601553 /nfs/dbraw/zinc/60/15/53/570601553.db2.gz IIFPHOLLCJZVMJ-OAQYLSRUSA-N 1 2 378.476 4.021 50 0 GIAALO CCc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)o1 ZINC000012053671 570601558 /nfs/dbraw/zinc/60/15/58/570601558.db2.gz IIFPHOLLCJZVMJ-OAQYLSRUSA-N 1 2 378.476 4.021 50 0 GIAALO CCc1cc(N(CC)CC)nc(SCc2ccc(C(=O)NCC3CC3)cc2)[nH+]1 ZINC000006801831 570604895 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O=C(Cc1nc(C[N@H+]2CCC[C@H]2c2ccncc2)cs1)Nc1ccccc1 ZINC000125552442 823684651 /nfs/dbraw/zinc/68/46/51/823684651.db2.gz CESDWCMZFVHOHB-IBGZPJMESA-N 1 2 378.501 4.056 50 0 GIAALO Cc1ccsc1C[NH+]1CC(Oc2ccccc2C(=O)NCc2ccccc2)C1 ZINC000575315022 823953084 /nfs/dbraw/zinc/95/30/84/823953084.db2.gz VREYHAJRBDWZMV-UHFFFAOYSA-N 1 2 392.524 4.250 50 0 GIAALO Cc1c[nH+]c(-c2cccnc2)n1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000575549898 823976056 /nfs/dbraw/zinc/97/60/56/823976056.db2.gz OGYSCCOZQMHGFO-UHFFFAOYSA-N 1 2 386.499 4.149 50 0 GIAALO O=C1C[C@H](c2ccccc2)[N@H+](Cc2csc(-c3ccccc3F)n2)CCN1 ZINC000170871566 823996161 /nfs/dbraw/zinc/99/61/61/823996161.db2.gz BDJKRMQIEFDBAI-LJQANCHMSA-N 1 2 381.476 4.012 50 0 GIAALO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2csc(-c3ccccc3F)n2)CCN1 ZINC000170871566 823996165 /nfs/dbraw/zinc/99/61/65/823996165.db2.gz BDJKRMQIEFDBAI-LJQANCHMSA-N 1 2 381.476 4.012 50 0 GIAALO O=C(NCc1c[nH+]cn1C1CC1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000426398074 231215532 /nfs/dbraw/zinc/21/55/32/231215532.db2.gz QFPQKXMCYIUOEN-UHFFFAOYSA-N 1 2 383.455 4.001 50 0 GIAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC(C)CC4)csc3C2)nc1 ZINC000426389631 529643286 /nfs/dbraw/zinc/64/32/86/529643286.db2.gz KVDORYDHXKPQKD-UHFFFAOYSA-N 1 2 383.561 4.136 50 0 GIAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC(C)CC4)csc3C2)nc1 ZINC000426389631 529643289 /nfs/dbraw/zinc/64/32/89/529643289.db2.gz KVDORYDHXKPQKD-UHFFFAOYSA-N 1 2 383.561 4.136 50 0 GIAALO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000225437341 222677610 /nfs/dbraw/zinc/67/76/10/222677610.db2.gz VNVKVSYQIFJBEH-UHFFFAOYSA-N 1 2 399.376 4.392 50 0 GIAALO c1coc(CNc2nc(N3CCN(c4ccccc4)CC3)[nH+]c3ccccc32)c1 ZINC000001245332 212231934 /nfs/dbraw/zinc/23/19/34/212231934.db2.gz ATEGWQFKEHLPHS-UHFFFAOYSA-N 1 2 385.471 4.162 50 0 aggregator GIAALO O=S(=O)(Nc1ccc([NH+]2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000001033511 212207124 /nfs/dbraw/zinc/20/71/24/212207124.db2.gz YLRNGDXABXPNRR-UHFFFAOYSA-N 1 2 384.423 4.497 50 0 GIAALO CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000000947743 212198141 /nfs/dbraw/zinc/19/81/41/212198141.db2.gz DRKGBZQAVPLOJY-CYBMUJFWSA-N 1 2 390.505 4.306 50 0 GIAALO CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000000947743 212198144 /nfs/dbraw/zinc/19/81/44/212198144.db2.gz DRKGBZQAVPLOJY-CYBMUJFWSA-N 1 2 390.505 4.306 50 0 GIAALO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1Nc1cccc(C(=O)OC)c1 ZINC000000949031 212197833 /nfs/dbraw/zinc/19/78/33/212197833.db2.gz YNNMHHAXPVHYBM-UHFFFAOYSA-N 1 2 394.427 4.340 50 0 GIAALO Cc1ccc2c(c1)c1c3n2CC[N@H+](C[C@@H](O)COc2ccccc2C)[C@H]3CCC1 ZINC000000978411 212143307 /nfs/dbraw/zinc/14/33/07/212143307.db2.gz FIGLUTGAGZGEAE-XXBNENTESA-N 1 2 390.527 4.391 50 0 GIAALO Cc1ccc2c(c1)c1c3n2CC[N@@H+](C[C@@H](O)COc2ccccc2C)[C@H]3CCC1 ZINC000000978411 212143312 /nfs/dbraw/zinc/14/33/12/212143312.db2.gz FIGLUTGAGZGEAE-XXBNENTESA-N 1 2 390.527 4.391 50 0 GIAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000007717867 221007361 /nfs/dbraw/zinc/00/73/61/221007361.db2.gz BUOLYRKSJWPCKR-QVKFZJNVSA-N 1 2 396.487 4.071 50 0 GIAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000007717867 221007363 /nfs/dbraw/zinc/00/73/63/221007363.db2.gz BUOLYRKSJWPCKR-QVKFZJNVSA-N 1 2 396.487 4.071 50 0 GIAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SC)c(OC)c1 ZINC000008132349 221028336 /nfs/dbraw/zinc/02/83/36/221028336.db2.gz USCSDOWQYQVQHS-SFHVURJKSA-N 1 2 386.517 4.201 50 0 GIAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SC)c(OC)c1 ZINC000008132349 221028339 /nfs/dbraw/zinc/02/83/39/221028339.db2.gz USCSDOWQYQVQHS-SFHVURJKSA-N 1 2 386.517 4.201 50 0 GIAALO CCC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1nnc(-c2cccs2)o1 ZINC000008244019 221032801 /nfs/dbraw/zinc/03/28/01/221032801.db2.gz JGZHSUNRKUIFTM-UHFFFAOYSA-N 1 2 384.505 4.266 50 0 GIAALO CCC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1nnc(-c2cccs2)o1 ZINC000008244019 221032802 /nfs/dbraw/zinc/03/28/02/221032802.db2.gz JGZHSUNRKUIFTM-UHFFFAOYSA-N 1 2 384.505 4.266 50 0 GIAALO C[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000008310755 221036188 /nfs/dbraw/zinc/03/61/88/221036188.db2.gz YRNGOSAGRORIAE-UHFFFAOYSA-N 1 2 398.846 4.399 50 0 GIAALO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000008310755 221036191 /nfs/dbraw/zinc/03/61/91/221036191.db2.gz YRNGOSAGRORIAE-UHFFFAOYSA-N 1 2 398.846 4.399 50 0 GIAALO Fc1ccc(-c2cc3ncnc(N4CCN(c5cccc[nH+]5)CC4)c3s2)cc1 ZINC000007975129 221017203 /nfs/dbraw/zinc/01/72/03/221017203.db2.gz AUHRXTFENYEGIB-UHFFFAOYSA-N 1 2 391.475 4.219 50 0 GIAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccccc1SC[C@H]1CCCO1 ZINC000009217078 221073987 /nfs/dbraw/zinc/07/39/87/221073987.db2.gz RQLDMCXCNAOBCD-QGZVFWFLSA-N 1 2 395.528 4.046 50 0 GIAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)n1 ZINC000009573303 221085109 /nfs/dbraw/zinc/08/51/09/221085109.db2.gz ZVGJUUPAPIQESH-INIZCTEOSA-N 1 2 391.475 4.366 50 0 GIAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)c3ccc(OC)cc3)cc2)n1 ZINC000009573283 221085543 /nfs/dbraw/zinc/08/55/43/221085543.db2.gz OPYLFGSLEXVMDZ-UHFFFAOYSA-N 1 2 377.448 4.221 50 0 GIAALO O=C(NCCCn1cc[nH+]c1)c1csc(Nc2cccc3ccccc32)n1 ZINC000009846101 221092684 /nfs/dbraw/zinc/09/26/84/221092684.db2.gz REOUMERNSHKQHT-UHFFFAOYSA-N 1 2 377.473 4.057 50 0 GIAALO OCC1(CCCc2ccccc2)CC[NH+](Cc2nc3ccc(F)cc3[nH]2)CC1 ZINC000011664563 221119967 /nfs/dbraw/zinc/11/99/67/221119967.db2.gz RLEMFDULTAYUDS-UHFFFAOYSA-N 1 2 381.495 4.299 50 0 GIAALO Cc1cccc(-n2cc(C[N@@H+](C)Cc3nccn3C)c(-c3cccc(F)c3)n2)c1 ZINC000012317160 221181010 /nfs/dbraw/zinc/18/10/10/221181010.db2.gz QUKGSOVSHLCELK-UHFFFAOYSA-N 1 2 389.478 4.352 50 0 GIAALO Cc1cccc(-n2cc(C[N@H+](C)Cc3nccn3C)c(-c3cccc(F)c3)n2)c1 ZINC000012317160 221181011 /nfs/dbraw/zinc/18/10/11/221181011.db2.gz QUKGSOVSHLCELK-UHFFFAOYSA-N 1 2 389.478 4.352 50 0 GIAALO Cc1cccc(-n2cc(CN(C)Cc3[nH+]ccn3C)c(-c3cccc(F)c3)n2)c1 ZINC000012317160 221181017 /nfs/dbraw/zinc/18/10/17/221181017.db2.gz QUKGSOVSHLCELK-UHFFFAOYSA-N 1 2 389.478 4.352 50 0 GIAALO O[C@H](Cc1ccccc1)c1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1)CCO2 ZINC000012165387 221161733 /nfs/dbraw/zinc/16/17/33/221161733.db2.gz CVEOZQZVSBVYNR-HSZRJFAPSA-N 1 2 377.459 4.496 50 0 GIAALO O[C@H](Cc1ccccc1)c1ccc2c(c1)C[N@H+](Cc1cccc(F)c1)CCO2 ZINC000012165387 221161736 /nfs/dbraw/zinc/16/17/36/221161736.db2.gz CVEOZQZVSBVYNR-HSZRJFAPSA-N 1 2 377.459 4.496 50 0 GIAALO COc1cccc([C@H]2CCCC[N@@H+]2Cc2nc(COc3ccccc3)no2)c1 ZINC000012429385 221191711 /nfs/dbraw/zinc/19/17/11/221191711.db2.gz VLUSTIAIGGFHSC-HXUWFJFHSA-N 1 2 379.460 4.384 50 0 GIAALO COc1cccc([C@H]2CCCC[N@H+]2Cc2nc(COc3ccccc3)no2)c1 ZINC000012429385 221191715 /nfs/dbraw/zinc/19/17/15/221191715.db2.gz VLUSTIAIGGFHSC-HXUWFJFHSA-N 1 2 379.460 4.384 50 0 GIAALO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@H+]1Cc1cccc(O)c1 ZINC000012434569 221192825 /nfs/dbraw/zinc/19/28/25/221192825.db2.gz QQOGXPVJPZTNSP-OAQYLSRUSA-N 1 2 389.455 4.183 50 0 GIAALO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000012434569 221192827 /nfs/dbraw/zinc/19/28/27/221192827.db2.gz QQOGXPVJPZTNSP-OAQYLSRUSA-N 1 2 389.455 4.183 50 0 GIAALO C[N@H+](Cc1ccccc1N1CCCCC1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000012515866 221200199 /nfs/dbraw/zinc/20/01/99/221200199.db2.gz FNCBPSGVHMPXQS-HSZRJFAPSA-N 1 2 377.532 4.129 50 0 GIAALO C[N@@H+](Cc1ccccc1N1CCCCC1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000012515866 221200203 /nfs/dbraw/zinc/20/02/03/221200203.db2.gz FNCBPSGVHMPXQS-HSZRJFAPSA-N 1 2 377.532 4.129 50 0 GIAALO Cc1cc(Cl)cc(C)c1OCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012550608 221204624 /nfs/dbraw/zinc/20/46/24/221204624.db2.gz QXTHDMANYRZHOT-INIZCTEOSA-N 1 2 383.879 4.399 50 0 GIAALO Cn1cc[nH+]c1[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1cccc(F)c1 ZINC000012627352 221216178 /nfs/dbraw/zinc/21/61/78/221216178.db2.gz TUROHKKXYQXNSP-YYAZDPENSA-N 1 2 381.495 4.371 50 0 GIAALO Cc1cccc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(CO)o3)c2)c1 ZINC000012703589 221220044 /nfs/dbraw/zinc/22/00/44/221220044.db2.gz DJBHLXNLJZCFHZ-HSZRJFAPSA-N 1 2 390.483 4.350 50 0 GIAALO Cc1cccc(-c2cccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(CO)o3)c2)c1 ZINC000012703589 221220047 /nfs/dbraw/zinc/22/00/47/221220047.db2.gz DJBHLXNLJZCFHZ-HSZRJFAPSA-N 1 2 390.483 4.350 50 0 GIAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000012728110 221222860 /nfs/dbraw/zinc/22/28/60/221222860.db2.gz UXEJDFZRLVUXJL-SFHVURJKSA-N 1 2 387.892 4.004 50 0 GIAALO Brc1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)s1 ZINC000012819338 221236934 /nfs/dbraw/zinc/23/69/34/221236934.db2.gz MLIJWDGJQIUPEC-UHFFFAOYSA-N 1 2 394.363 4.443 50 0 GIAALO O=C(Nc1nc(C[NH+]2CCCC2)cs1)c1cccc2c3c([nH]c21)CCCC3 ZINC000012981395 221252385 /nfs/dbraw/zinc/25/23/85/221252385.db2.gz SHGYPGBZXKQMMO-UHFFFAOYSA-N 1 2 380.517 4.351 50 0 GIAALO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000012995351 221254179 /nfs/dbraw/zinc/25/41/79/221254179.db2.gz COYVFPLOHJHRPB-JOCHJYFZSA-N 1 2 380.488 4.454 50 0 GIAALO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000012995351 221254181 /nfs/dbraw/zinc/25/41/81/221254181.db2.gz COYVFPLOHJHRPB-JOCHJYFZSA-N 1 2 380.488 4.454 50 0 GIAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)Nc1ccc(Cl)cc1Cl ZINC000013324817 221265309 /nfs/dbraw/zinc/26/53/09/221265309.db2.gz MSHFWIZCVAYXGN-UHFFFAOYSA-N 1 2 380.275 4.470 50 0 GIAALO CSc1cccc(NC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000013320015 221265431 /nfs/dbraw/zinc/26/54/31/221265431.db2.gz BOZPLTXAGIQGFQ-UHFFFAOYSA-N 1 2 375.925 4.412 50 0 GIAALO C[N@H+](CN1C(=O)N[C@](C)(c2ccccc2)C1=O)C(c1ccccc1)c1ccccc1 ZINC000013008206 221256483 /nfs/dbraw/zinc/25/64/83/221256483.db2.gz CGKOTLDFWZGEAJ-RUZDIDTESA-N 1 2 399.494 4.133 50 0 GIAALO C[N@@H+](CN1C(=O)N[C@](C)(c2ccccc2)C1=O)C(c1ccccc1)c1ccccc1 ZINC000013008206 221256485 /nfs/dbraw/zinc/25/64/85/221256485.db2.gz CGKOTLDFWZGEAJ-RUZDIDTESA-N 1 2 399.494 4.133 50 0 GIAALO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000013149997 221262667 /nfs/dbraw/zinc/26/26/67/221262667.db2.gz NDYYQAOEPAKUJA-QEEYODRMSA-N 1 2 388.895 4.138 50 0 GIAALO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000013149997 221262671 /nfs/dbraw/zinc/26/26/71/221262671.db2.gz NDYYQAOEPAKUJA-QEEYODRMSA-N 1 2 388.895 4.138 50 0 GIAALO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCn4c(C)ccc4[C@H]3C)c(C)o2)cc1 ZINC000014973938 221323496 /nfs/dbraw/zinc/32/34/96/221323496.db2.gz VSHROEXFQIQJKJ-OAHLLOKOSA-N 1 2 379.460 4.123 50 0 GIAALO COC(=O)c1ccc(-c2nc(C[N@H+]3CCn4c(C)ccc4[C@H]3C)c(C)o2)cc1 ZINC000014973938 221323499 /nfs/dbraw/zinc/32/34/99/221323499.db2.gz VSHROEXFQIQJKJ-OAHLLOKOSA-N 1 2 379.460 4.123 50 0 GIAALO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)cc1OC ZINC000014948427 221319680 /nfs/dbraw/zinc/31/96/80/221319680.db2.gz SSFNNTZYWHCJKZ-MRXNPFEDSA-N 1 2 375.415 4.077 50 0 GIAALO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)cc1OC ZINC000014948427 221319685 /nfs/dbraw/zinc/31/96/85/221319685.db2.gz SSFNNTZYWHCJKZ-MRXNPFEDSA-N 1 2 375.415 4.077 50 0 GIAALO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)c(OC)c1 ZINC000015069303 221328735 /nfs/dbraw/zinc/32/87/35/221328735.db2.gz QVDNXQSROJZUJF-OAHLLOKOSA-N 1 2 375.415 4.077 50 0 GIAALO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)c(OC)c1 ZINC000015069303 221328738 /nfs/dbraw/zinc/32/87/38/221328738.db2.gz QVDNXQSROJZUJF-OAHLLOKOSA-N 1 2 375.415 4.077 50 0 GIAALO Cc1[nH]c(CN2CCC[C@H]2C(=O)Nc2cccc(-c3ccc(F)cc3)c2)c[nH+]1 ZINC000015073533 221331707 /nfs/dbraw/zinc/33/17/07/221331707.db2.gz CAHMLLREJQXXPQ-NRFANRHFSA-N 1 2 378.451 4.127 50 0 GIAALO Cc1[nH]cc(CN2CCC[C@H]2C(=O)Nc2cccc(-c3ccc(F)cc3)c2)[nH+]1 ZINC000015073533 221331709 /nfs/dbraw/zinc/33/17/09/221331709.db2.gz CAHMLLREJQXXPQ-NRFANRHFSA-N 1 2 378.451 4.127 50 0 GIAALO Clc1cccc(C[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)c1 ZINC000015779134 221345082 /nfs/dbraw/zinc/34/50/82/221345082.db2.gz OHRLJXWFZMFXSQ-UHFFFAOYSA-N 1 2 394.862 4.161 50 0 GIAALO Clc1cccc(C[N@H+]2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)c1 ZINC000015779134 221345083 /nfs/dbraw/zinc/34/50/83/221345083.db2.gz OHRLJXWFZMFXSQ-UHFFFAOYSA-N 1 2 394.862 4.161 50 0 GIAALO COc1ccc(-c2cc(NCCc3ccc(OC)c(OC)c3)nc(C)[nH+]2)cc1 ZINC000015859156 221348999 /nfs/dbraw/zinc/34/89/99/221348999.db2.gz UBJSZWNWDTWTHC-UHFFFAOYSA-N 1 2 379.460 4.132 50 0 GIAALO O=C(CC1c2ccccc2Oc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000018121881 221387395 /nfs/dbraw/zinc/38/73/95/221387395.db2.gz USMJFZYNIFTLDL-UHFFFAOYSA-N 1 2 385.467 4.058 50 0 GIAALO CC(=O)Nc1sc2c(c1[C@@H](c1cccs1)[NH+]1CCOCC1)CCCC2 ZINC000020192318 221476030 /nfs/dbraw/zinc/47/60/30/221476030.db2.gz UADGQAJSVYKONW-GOSISDBHSA-N 1 2 376.547 4.068 50 0 GIAALO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057406082 132451592 /nfs/dbraw/zinc/45/15/92/132451592.db2.gz IEUVZJJVCMUPOG-NRFANRHFSA-N 1 2 399.538 4.103 50 0 GIAALO Cc1ccccc1-c1nnc(C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)o1 ZINC000058024091 136154349 /nfs/dbraw/zinc/15/43/49/136154349.db2.gz JWDNPPWAPVDSQU-UHFFFAOYSA-N 1 2 382.895 4.329 50 0 GIAALO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000058157504 136154448 /nfs/dbraw/zinc/15/44/48/136154448.db2.gz WPASUPUZHJUBHZ-INIZCTEOSA-N 1 2 391.437 4.163 50 0 GIAALO CC(=O)c1ccc(N2CC[NH+](Cc3cn(C)nc3C3CCCCC3)CC2)c(F)c1 ZINC000096011450 136183202 /nfs/dbraw/zinc/18/32/02/136183202.db2.gz QCQYLTFPFWYQKK-UHFFFAOYSA-N 1 2 398.526 4.132 50 0 GIAALO COc1ccc(OC)c([C@@H](C)NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000032862972 221742869 /nfs/dbraw/zinc/74/28/69/221742869.db2.gz NHBMUXITUAYFTN-HZPDHXFCSA-N 1 2 394.475 4.011 50 0 GIAALO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+](Cc2ccco2)Cc2ccccc2)c1C ZINC000057352165 222031864 /nfs/dbraw/zinc/03/18/64/222031864.db2.gz WBGHRJSMCJOLPI-UHFFFAOYSA-N 1 2 394.471 4.286 50 0 GIAALO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2)c1C ZINC000057352165 222031868 /nfs/dbraw/zinc/03/18/68/222031868.db2.gz WBGHRJSMCJOLPI-UHFFFAOYSA-N 1 2 394.471 4.286 50 0 GIAALO CCC[N@H+](Cc1nnc(-c2ccco2)o1)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000057488437 222033637 /nfs/dbraw/zinc/03/36/37/222033637.db2.gz OCDVLOJZYOLOKV-UHFFFAOYSA-N 1 2 393.443 4.465 50 0 GIAALO CCC[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000057488437 222033641 /nfs/dbraw/zinc/03/36/41/222033641.db2.gz OCDVLOJZYOLOKV-UHFFFAOYSA-N 1 2 393.443 4.465 50 0 GIAALO COc1c(C)c[nH+]c(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)c1C ZINC000050770274 222005195 /nfs/dbraw/zinc/00/51/95/222005195.db2.gz DPWSBSZNYMAXSA-UHFFFAOYSA-N 1 2 375.881 4.347 50 0 GIAALO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@@H+](C)[C@H](C)c1ccncn1 ZINC000055242798 222018852 /nfs/dbraw/zinc/01/88/52/222018852.db2.gz KKYOJHQMGLMXNV-LLVKDONJSA-N 1 2 386.839 4.015 50 0 GIAALO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+](C)[C@H](C)c1ccncn1 ZINC000055242798 222018854 /nfs/dbraw/zinc/01/88/54/222018854.db2.gz KKYOJHQMGLMXNV-LLVKDONJSA-N 1 2 386.839 4.015 50 0 GIAALO Clc1cncc(Cl)c1CN(CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000055255824 222019034 /nfs/dbraw/zinc/01/90/34/222019034.db2.gz JCSCFWBIQYQDBJ-UHFFFAOYSA-N 1 2 376.291 4.072 50 0 GIAALO COc1cc2c(cc1C[N@H+](Cc1ccncc1)Cc1ccc(F)cc1)OCO2 ZINC000055402812 222021887 /nfs/dbraw/zinc/02/18/87/222021887.db2.gz CPAXTBPEAYLOFP-UHFFFAOYSA-N 1 2 380.419 4.160 50 0 GIAALO COc1cc2c(cc1C[N@@H+](Cc1ccncc1)Cc1ccc(F)cc1)OCO2 ZINC000055402812 222021888 /nfs/dbraw/zinc/02/18/88/222021888.db2.gz CPAXTBPEAYLOFP-UHFFFAOYSA-N 1 2 380.419 4.160 50 0 GIAALO COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1Br ZINC000055542848 222022270 /nfs/dbraw/zinc/02/22/70/222022270.db2.gz SEAOIDDDBMJVGH-UHFFFAOYSA-N 1 2 395.728 4.433 50 0 GIAALO CCOC(=O)C1CC[NH+]([C@H](C(=O)Nc2c(C)cccc2C)c2ccccc2)CC1 ZINC000058012544 222037535 /nfs/dbraw/zinc/03/75/35/222037535.db2.gz QUTNCKZDSIWRHX-QFIPXVFZSA-N 1 2 394.515 4.258 50 0 GIAALO C[N@@H+](Cc1ccc(Br)s1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000058177862 222043465 /nfs/dbraw/zinc/04/34/65/222043465.db2.gz UUKVRSQRAODERH-CYBMUJFWSA-N 1 2 397.313 4.055 50 0 GIAALO C[N@H+](Cc1ccc(Br)s1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000058177862 222043470 /nfs/dbraw/zinc/04/34/70/222043470.db2.gz UUKVRSQRAODERH-CYBMUJFWSA-N 1 2 397.313 4.055 50 0 GIAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C3CC3)nc3ccccc32)c1C ZINC000058427106 222052549 /nfs/dbraw/zinc/05/25/49/222052549.db2.gz ZIZZCTUKOOROKT-UHFFFAOYSA-N 1 2 375.472 4.405 50 0 GIAALO CC(C)[C@H](NC(=O)C[N@H+](C)Cc1csc(Br)c1)c1ccccc1 ZINC000060040677 222058281 /nfs/dbraw/zinc/05/82/81/222058281.db2.gz VCHDYNZYQSQAFZ-SFHVURJKSA-N 1 2 395.366 4.456 50 0 GIAALO CC(C)[C@H](NC(=O)C[N@@H+](C)Cc1csc(Br)c1)c1ccccc1 ZINC000060040677 222058285 /nfs/dbraw/zinc/05/82/85/222058285.db2.gz VCHDYNZYQSQAFZ-SFHVURJKSA-N 1 2 395.366 4.456 50 0 GIAALO CC(=O)c1ccc(Nc2c(C(=O)N3CCSCC3)c[nH+]c3ccccc32)cc1 ZINC000064819976 222083532 /nfs/dbraw/zinc/08/35/32/222083532.db2.gz DYYPIXYIVJGPIH-UHFFFAOYSA-N 1 2 391.496 4.370 50 0 GIAALO CCc1ncc(-c2c(-c3ccccc3)ncn2[C@@H](c2[nH+]ccn2C)C2CC2)cn1 ZINC000065405952 222128707 /nfs/dbraw/zinc/12/87/07/222128707.db2.gz GVNMPVLKYNVCAD-JOCHJYFZSA-N 1 2 384.487 4.302 50 0 GIAALO CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1CCC(=O)NC1CCCCC1 ZINC000065492251 222131997 /nfs/dbraw/zinc/13/19/97/222131997.db2.gz FPTRKTJHIUAEKR-UHFFFAOYSA-N 1 2 391.519 4.273 50 0 GIAALO Cc1c(C[N@@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)cnn1C ZINC000067654099 222151443 /nfs/dbraw/zinc/15/14/43/222151443.db2.gz KWRRFBADFCDWBJ-UHFFFAOYSA-N 1 2 383.879 4.149 50 0 GIAALO Cc1c(C[N@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)cnn1C ZINC000067654099 222151444 /nfs/dbraw/zinc/15/14/44/222151444.db2.gz KWRRFBADFCDWBJ-UHFFFAOYSA-N 1 2 383.879 4.149 50 0 GIAALO O=C(Cc1ccc(O)c(Cl)c1)NCc1ccc[nH+]c1N1CCCCCCC1 ZINC000067774885 222159046 /nfs/dbraw/zinc/15/90/46/222159046.db2.gz RAFLXVHFGVKHAD-UHFFFAOYSA-N 1 2 387.911 4.070 50 0 GIAALO Cc1ccccc1-c1cc(O)c2c(c1)CN(c1cccc([C@@H](C)O)[nH+]1)CCO2 ZINC000067818921 222160873 /nfs/dbraw/zinc/16/08/73/222160873.db2.gz QXBRVPJCBWTCOK-MRXNPFEDSA-N 1 2 376.456 4.215 50 0 GIAALO Cc1ccccc1-c1cc(O)c2c(c1)CN(c1cccc([C@H](C)O)[nH+]1)CCO2 ZINC000067818922 222162164 /nfs/dbraw/zinc/16/21/64/222162164.db2.gz QXBRVPJCBWTCOK-INIZCTEOSA-N 1 2 376.456 4.215 50 0 GIAALO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)Cc1csc(Br)c1 ZINC000072032417 222204330 /nfs/dbraw/zinc/20/43/30/222204330.db2.gz KIZAVHDZFNNZCZ-UHFFFAOYSA-N 1 2 399.329 4.130 50 0 GIAALO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)Cc1csc(Br)c1 ZINC000072032417 222204333 /nfs/dbraw/zinc/20/43/33/222204333.db2.gz KIZAVHDZFNNZCZ-UHFFFAOYSA-N 1 2 399.329 4.130 50 0 GIAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000072408810 222254744 /nfs/dbraw/zinc/25/47/44/222254744.db2.gz OXJRAGLOXRMDLU-UHFFFAOYSA-N 1 2 376.847 4.410 50 0 GIAALO Cc1cccc(-n2cc(C[N@@H+]3CCN(C)[C@H](C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000072407148 222255903 /nfs/dbraw/zinc/25/59/03/222255903.db2.gz KDIOISZWWDETFQ-GOSISDBHSA-N 1 2 378.495 4.123 50 0 GIAALO Cc1cccc(-n2cc(C[N@H+]3CCN(C)[C@H](C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000072407148 222255905 /nfs/dbraw/zinc/25/59/05/222255905.db2.gz KDIOISZWWDETFQ-GOSISDBHSA-N 1 2 378.495 4.123 50 0 GIAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)Cc2ccon2)cc1 ZINC000072421601 222257185 /nfs/dbraw/zinc/25/71/85/222257185.db2.gz MPJPCNIFHFMLJO-UHFFFAOYSA-N 1 2 392.434 4.307 50 0 GIAALO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)Cc2ccon2)cc1 ZINC000072421601 222257189 /nfs/dbraw/zinc/25/71/89/222257189.db2.gz MPJPCNIFHFMLJO-UHFFFAOYSA-N 1 2 392.434 4.307 50 0 GIAALO O=C1C[C@H]([N@@H+]2CCc3ccccc3C2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000095496422 222332246 /nfs/dbraw/zinc/33/22/46/222332246.db2.gz HQGCWDNOEYBWOP-QHCPKHFHSA-N 1 2 398.462 4.169 50 0 GIAALO O=C1C[C@H]([N@H+]2CCc3ccccc3C2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000095496422 222332249 /nfs/dbraw/zinc/33/22/49/222332249.db2.gz HQGCWDNOEYBWOP-QHCPKHFHSA-N 1 2 398.462 4.169 50 0 GIAALO Cc1ccc(C)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095504988 222339503 /nfs/dbraw/zinc/33/95/03/222339503.db2.gz MRRWBOMXHAXSTE-QGZVFWFLSA-N 1 2 380.517 4.025 50 0 GIAALO Cc1ccc2nc(C)cc(C(=O)N3CCCC[C@H]3CCc3[nH+]ccn3C)c2c1 ZINC000077457871 222283122 /nfs/dbraw/zinc/28/31/22/222283122.db2.gz LUXDAGLZBLGXHN-SFHVURJKSA-N 1 2 376.504 4.213 50 0 GIAALO Cc1nc2sccn2c1C[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000079094754 222303428 /nfs/dbraw/zinc/30/34/28/222303428.db2.gz LPMJUPLYTUIILB-UHFFFAOYSA-N 1 2 383.304 4.082 50 0 GIAALO Cc1nc2sccn2c1C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000079094754 222303430 /nfs/dbraw/zinc/30/34/30/222303430.db2.gz LPMJUPLYTUIILB-UHFFFAOYSA-N 1 2 383.304 4.082 50 0 GIAALO CC(C)c1nc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)no1 ZINC000095525716 222350212 /nfs/dbraw/zinc/35/02/12/222350212.db2.gz HCGOAJICNCKPTO-QGZVFWFLSA-N 1 2 394.475 4.304 50 0 GIAALO CC(C)c1nc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)no1 ZINC000095525716 222350216 /nfs/dbraw/zinc/35/02/16/222350216.db2.gz HCGOAJICNCKPTO-QGZVFWFLSA-N 1 2 394.475 4.304 50 0 GIAALO O=C(c1cc(F)cc(Cl)c1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095526490 222351485 /nfs/dbraw/zinc/35/14/85/222351485.db2.gz NEBJHPBYOCIXIO-MRXNPFEDSA-N 1 2 398.869 4.139 50 0 GIAALO Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)NCc1c[nH+]cn1C1CC1 ZINC000096140167 222387938 /nfs/dbraw/zinc/38/79/38/222387938.db2.gz LOGZHJPXDFSZMI-UHFFFAOYSA-N 1 2 382.493 4.031 50 0 GIAALO CCc1[nH]c2ccc(NC(=O)N3CCC[C@@H](c4nc(C(C)C)no4)C3)cc2[nH+]1 ZINC000096141884 222388470 /nfs/dbraw/zinc/38/84/70/222388470.db2.gz XCSLLBVLVIWVLU-CYBMUJFWSA-N 1 2 382.468 4.043 50 0 GIAALO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)c4ccco4)CC3)ccc21 ZINC000019842109 570225140 /nfs/dbraw/zinc/22/51/40/570225140.db2.gz LGAKMXJVXYINAE-UHFFFAOYSA-N 1 2 387.483 4.365 50 0 GIAALO [NH2+]=c1n(Cc2ccccc2)c2ccccc2n1C[C@@H](O)c1ccc(Cl)cc1 ZINC000019854812 570225793 /nfs/dbraw/zinc/22/57/93/570225793.db2.gz DJSXOZMBBQCYGU-OAQYLSRUSA-N 1 2 377.875 4.358 50 0 GIAALO CCCCSc1nc(=O)c2c3c(sc2[nH]1)C[N@@H+](Cc1ccccc1)CC3 ZINC000019926525 570230207 /nfs/dbraw/zinc/23/02/07/570230207.db2.gz BMQIGFXACIULHV-UHFFFAOYSA-N 1 2 385.558 4.435 50 0 GIAALO CCCCSc1nc(=O)c2c3c(sc2[nH]1)C[N@H+](Cc1ccccc1)CC3 ZINC000019926525 570230210 /nfs/dbraw/zinc/23/02/10/570230210.db2.gz BMQIGFXACIULHV-UHFFFAOYSA-N 1 2 385.558 4.435 50 0 GIAALO Cc1ccc([C@H](NC(=O)Cc2c[nH+]c3c(C)cccn23)c2cccnc2)c(C)c1 ZINC000097574941 570246998 /nfs/dbraw/zinc/24/69/98/570246998.db2.gz LZLZOJDCHIEDBD-HSZRJFAPSA-N 1 2 384.483 4.103 50 0 GIAALO CC[C@H](C)c1ccc(NC(=S)N2CC[NH+](Cc3cnn(CC)c3C)CC2)cc1 ZINC000020363135 570253076 /nfs/dbraw/zinc/25/30/76/570253076.db2.gz KWIHLUZRUDZQGR-KRWDZBQOSA-N 1 2 399.608 4.240 50 0 GIAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccccc1C(F)(F)F ZINC000048938842 570255732 /nfs/dbraw/zinc/25/57/32/570255732.db2.gz GNUTWHRINUWKEI-UHFFFAOYSA-N 1 2 377.410 4.411 50 0 GIAALO O=C(CSc1ccc(F)cc1)Nc1cccc2ccc(-n3cc[nH+]c3)nc21 ZINC000049028073 570260118 /nfs/dbraw/zinc/26/01/18/570260118.db2.gz KVHKXGZBVJVTEZ-UHFFFAOYSA-N 1 2 378.432 4.290 50 0 GIAALO Cc1oc2cc(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)ccc2c(=O)c1-c1ccccc1 ZINC000020590650 570269240 /nfs/dbraw/zinc/26/92/40/570269240.db2.gz NLZHDFGZAXBXGB-IRXDYDNUSA-N 1 2 393.483 4.256 50 0 GIAALO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc1COCC(F)(F)F ZINC000021719846 570294772 /nfs/dbraw/zinc/29/47/72/570294772.db2.gz JUGZNJSTGKRJON-KRWDZBQOSA-N 1 2 384.398 4.408 50 0 GIAALO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)cc1COCC(F)(F)F ZINC000021719846 570294775 /nfs/dbraw/zinc/29/47/75/570294775.db2.gz JUGZNJSTGKRJON-KRWDZBQOSA-N 1 2 384.398 4.408 50 0 GIAALO Cc1cccc(-n2cc(C[N@@H+]3CCN(C)[C@@H](C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000106943086 570307219 /nfs/dbraw/zinc/30/72/19/570307219.db2.gz KDIOISZWWDETFQ-SFHVURJKSA-N 1 2 378.495 4.123 50 0 GIAALO Cc1cccc(-n2cc(C[N@H+]3CCN(C)[C@@H](C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000106943086 570307223 /nfs/dbraw/zinc/30/72/23/570307223.db2.gz KDIOISZWWDETFQ-SFHVURJKSA-N 1 2 378.495 4.123 50 0 GIAALO CC(C)c1noc(CN2CC[NH+](Cc3sc4ccccc4c3Cl)CC2)n1 ZINC000022931143 570336971 /nfs/dbraw/zinc/33/69/71/570336971.db2.gz KRJUIHIZNNGMGP-UHFFFAOYSA-N 1 2 390.940 4.379 50 0 GIAALO COc1cccc(N2CC[N@H+](CC(=O)c3c(C)[nH]c4cc(C)ccc43)C[C@H]2C)c1 ZINC000035369256 570344322 /nfs/dbraw/zinc/34/43/22/570344322.db2.gz AKIXXEFPUBBNNB-QGZVFWFLSA-N 1 2 391.515 4.187 50 0 GIAALO COc1cccc(N2CC[N@@H+](CC(=O)c3c(C)[nH]c4cc(C)ccc43)C[C@H]2C)c1 ZINC000035369256 570344325 /nfs/dbraw/zinc/34/43/25/570344325.db2.gz AKIXXEFPUBBNNB-QGZVFWFLSA-N 1 2 391.515 4.187 50 0 GIAALO Cc1ccc2c(c1)c1c3n2CC[N@H+](C[C@H](O)COc2ccccc2C)[C@H]3CCC1 ZINC000003880726 570352926 /nfs/dbraw/zinc/35/29/26/570352926.db2.gz FIGLUTGAGZGEAE-CVDCTZTESA-N 1 2 390.527 4.391 50 0 GIAALO Cc1ccc2c(c1)c1c3n2CC[N@@H+](C[C@H](O)COc2ccccc2C)[C@H]3CCC1 ZINC000003880726 570352928 /nfs/dbraw/zinc/35/29/28/570352928.db2.gz FIGLUTGAGZGEAE-CVDCTZTESA-N 1 2 390.527 4.391 50 0 GIAALO Cc1cc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2[nH+]1 ZINC000004302098 570366741 /nfs/dbraw/zinc/36/67/41/570366741.db2.gz KACCXFDGIWSUSP-UHFFFAOYSA-N 1 2 376.334 4.459 50 0 GIAALO O=C(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1ccc2nsnc2c1 ZINC000575619204 570367021 /nfs/dbraw/zinc/36/70/21/570367021.db2.gz IQCZYIYFRMTDBI-UHFFFAOYSA-N 1 2 375.457 4.143 50 0 GIAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000023776166 570372282 /nfs/dbraw/zinc/37/22/82/570372282.db2.gz MVXXZDHXYCVBNS-FQEVSTJZSA-N 1 2 399.853 4.081 50 0 GIAALO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(COc3ccccc3)o2)CC1 ZINC000023820186 570373251 /nfs/dbraw/zinc/37/32/51/570373251.db2.gz OXWZVKLDIONIRJ-UHFFFAOYSA-N 1 2 390.483 4.125 50 0 GIAALO O=C(CCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1cccs1 ZINC000023846344 570373781 /nfs/dbraw/zinc/37/37/81/570373781.db2.gz CGHBAKDXBYVJQZ-UHFFFAOYSA-N 1 2 392.524 4.209 50 0 GIAALO Cc1nc(-c2cccs2)sc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000090592708 570381459 /nfs/dbraw/zinc/38/14/59/570381459.db2.gz JYYHTKVFHZMUOW-UHFFFAOYSA-N 1 2 394.525 4.355 50 0 GIAALO C[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000024988248 570402073 /nfs/dbraw/zinc/40/20/73/570402073.db2.gz XXJSGQYFSHJOFB-AWEZNQCLSA-N 1 2 399.343 4.061 50 0 GIAALO O=C(Nc1ccccc1Cl)C1CCN(c2ccc(-n3cccc3)c[nH+]2)CC1 ZINC000033106167 570402180 /nfs/dbraw/zinc/40/21/80/570402180.db2.gz NJSIVBBXUJOGOP-UHFFFAOYSA-N 1 2 380.879 4.381 50 0 GIAALO CCCn1c2ccccc2[nH+]c1CCc1ccccc1NS(=O)(=O)CCC ZINC000033275366 570404573 /nfs/dbraw/zinc/40/45/73/570404573.db2.gz VFVHCLAJMMVUPS-UHFFFAOYSA-N 1 2 385.533 4.383 50 0 GIAALO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000044369902 570440263 /nfs/dbraw/zinc/44/02/63/570440263.db2.gz PTBAONJMYPBDSY-LAUBAEHRSA-N 1 2 391.515 4.391 50 0 GIAALO C[N@@H+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)[C@@H](c2ccccc2)C1 ZINC000030029667 570485121 /nfs/dbraw/zinc/48/51/21/570485121.db2.gz FIJNDHZKZOLSBE-HSZRJFAPSA-N 1 2 390.527 4.044 50 0 GIAALO C[N@H+]1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)[C@@H](c2ccccc2)C1 ZINC000030029667 570485125 /nfs/dbraw/zinc/48/51/25/570485125.db2.gz FIJNDHZKZOLSBE-HSZRJFAPSA-N 1 2 390.527 4.044 50 0 GIAALO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000030030515 570485814 /nfs/dbraw/zinc/48/58/14/570485814.db2.gz AYNNPJPETARWKE-KRWDZBQOSA-N 1 2 399.560 4.170 50 0 GIAALO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000030030515 570485817 /nfs/dbraw/zinc/48/58/17/570485817.db2.gz AYNNPJPETARWKE-KRWDZBQOSA-N 1 2 399.560 4.170 50 0 GIAALO O=C(c1ccccc1F)N(Cc1[nH+]ccn1Cc1ccccc1F)CC1CC1 ZINC000006689838 570533359 /nfs/dbraw/zinc/53/33/59/570533359.db2.gz IGTMCCNOUFAEDG-UHFFFAOYSA-N 1 2 381.426 4.262 50 0 GIAALO CCCN(C)c1nc(SCc2cccc(C(=O)NCC3CC3)c2)[nH+]c(C)c1C ZINC000006694930 570538501 /nfs/dbraw/zinc/53/85/01/570538501.db2.gz ATKNUZUAKODSEY-UHFFFAOYSA-N 1 2 398.576 4.372 50 0 GIAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(CC)cc1)[N@@H+]1CCC[C@H](C)C1)S2 ZINC000036104745 570541303 /nfs/dbraw/zinc/54/13/03/570541303.db2.gz DJFLBCRAOWZTBJ-KSSFIOAISA-N 1 2 384.549 4.443 50 0 GIAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(CC)cc1)[N@H+]1CCC[C@H](C)C1)S2 ZINC000036104745 570541305 /nfs/dbraw/zinc/54/13/05/570541305.db2.gz DJFLBCRAOWZTBJ-KSSFIOAISA-N 1 2 384.549 4.443 50 0 GIAALO CCCCc1ccc(NC(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000005348132 570562369 /nfs/dbraw/zinc/56/23/69/570562369.db2.gz PEDSAUZHFQRXQM-UHFFFAOYSA-N 1 2 382.504 4.043 50 0 GIAALO CCCCc1ccc(NC(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000005348132 570562373 /nfs/dbraw/zinc/56/23/73/570562373.db2.gz PEDSAUZHFQRXQM-UHFFFAOYSA-N 1 2 382.504 4.043 50 0 GIAALO O=S(=O)(Oc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)sc1Cl ZINC000032550416 570565280 /nfs/dbraw/zinc/56/52/80/570565280.db2.gz YDJZMERFWZRNQZ-UHFFFAOYSA-N 1 2 375.258 4.008 50 0 GIAALO COC(=O)[C@@H]1[NH2+][C@H](c2ccccc2)[C@@H](C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000034215860 570595170 /nfs/dbraw/zinc/59/51/70/570595170.db2.gz ZLTWMIIWDSCMMT-CJRSTVEYSA-N 1 2 399.490 4.464 50 0 GIAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccccc1Cl ZINC000005533361 570627809 /nfs/dbraw/zinc/62/78/09/570627809.db2.gz LSASIZLRECXZRZ-UHFFFAOYSA-N 1 2 380.860 4.444 50 0 GIAALO O=c1c(C[NH+]2CCN(c3ccccc3)CC2)coc2c(Cl)cc(Cl)cc12 ZINC000055292232 570690626 /nfs/dbraw/zinc/69/06/26/570690626.db2.gz NBITZBIJCNCJTI-UHFFFAOYSA-N 1 2 389.282 4.422 50 0 GIAALO Clc1ccc(C[NH+]2CCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000055565638 570697199 /nfs/dbraw/zinc/69/71/99/570697199.db2.gz BCAPFZREUOGHNB-UHFFFAOYSA-N 1 2 378.863 4.352 50 0 GIAALO Cc1cccc(-n2ncc3c2nc[nH+]c3N2CCN(c3cccc(C)c3)[C@@H](C)C2)c1 ZINC000013646717 570766330 /nfs/dbraw/zinc/76/63/30/570766330.db2.gz ZOMZPINTLRVLSJ-IBGZPJMESA-N 1 2 398.514 4.147 50 0 GIAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCS[C@@H](c2cccs2)CC1 ZINC000219463935 570792675 /nfs/dbraw/zinc/79/26/75/570792675.db2.gz JBCRTRMBDLHORC-LJQANCHMSA-N 1 2 383.542 4.313 50 0 GIAALO Cn1c(-c2ccc(Br)cc2)cn2cc(-c3ccc4c(c3)OCO4)[nH+]c21 ZINC000004678245 570823764 /nfs/dbraw/zinc/82/37/64/570823764.db2.gz YIMMGYNVFVWSCC-UHFFFAOYSA-N 1 2 396.244 4.498 50 0 GIAALO O=C(Cc1ccccc1)N(CCCn1cc[nH+]c1)c1nc2c(cccc2F)s1 ZINC000007424500 570841047 /nfs/dbraw/zinc/84/10/47/570841047.db2.gz LAORECRCEWRPHQ-UHFFFAOYSA-N 1 2 394.475 4.298 50 0 GIAALO Cc1nn(CC(C)C)c2sc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc12 ZINC000032819222 570841171 /nfs/dbraw/zinc/84/11/71/570841171.db2.gz FYWUPSFDDMEAEL-LJQANCHMSA-N 1 2 396.560 4.191 50 0 GIAALO Cc1nn(CC(C)C)c2sc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc12 ZINC000032819222 570841175 /nfs/dbraw/zinc/84/11/75/570841175.db2.gz FYWUPSFDDMEAEL-LJQANCHMSA-N 1 2 396.560 4.191 50 0 GIAALO COc1cccc2sc(N(CCCn3cc[nH+]c3)C(=O)c3cccs3)nc21 ZINC000007424584 570841282 /nfs/dbraw/zinc/84/12/82/570841282.db2.gz YMPZKGRBJTVEHC-UHFFFAOYSA-N 1 2 398.513 4.300 50 0 GIAALO Cc1c2cc(F)ccc2oc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000012560042 570861963 /nfs/dbraw/zinc/86/19/63/570861963.db2.gz MZQOAJJCRVCJNV-GOSISDBHSA-N 1 2 381.382 4.272 50 0 GIAALO Cn1nccc1CNc1[nH+]c2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000170607165 570864186 /nfs/dbraw/zinc/86/41/86/570864186.db2.gz UZDXIIIVXOWQDT-UHFFFAOYSA-N 1 2 375.354 4.042 50 0 GIAALO COc1cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)cc(OC)c1OC ZINC000071282818 570889716 /nfs/dbraw/zinc/88/97/16/570889716.db2.gz WRQTWTBGICVJOP-UHFFFAOYSA-N 1 2 383.448 4.139 50 0 GIAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1cccc(-c2cn(C(F)F)nc2C)c1 ZINC000299766873 570893613 /nfs/dbraw/zinc/89/36/13/570893613.db2.gz TZDVZEFGPVFIHK-UHFFFAOYSA-N 1 2 387.434 4.040 50 0 GIAALO Cc1ccc2[nH+]c(COc3ccc(C(=O)N[C@H](C)c4cccnc4)cc3)cn2c1 ZINC000032903875 570899998 /nfs/dbraw/zinc/89/99/98/570899998.db2.gz GGBFWMVWHOCPIL-QGZVFWFLSA-N 1 2 386.455 4.108 50 0 GIAALO C[C@H](NC(=O)/C=C\c1ccccc1OC(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000096936723 570911018 /nfs/dbraw/zinc/91/10/18/570911018.db2.gz HWANVYVMHPCGGQ-QIENPNARSA-N 1 2 383.398 4.364 50 0 GIAALO C[C@@]1(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1(Cl)Cl ZINC000031894680 570918532 /nfs/dbraw/zinc/91/85/32/570918532.db2.gz SHFLRDUDFIPFDP-CJNGLKHVSA-N 1 2 393.717 4.316 50 0 GIAALO Cc1ccc(C)c(NC(=S)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000023182186 570945148 /nfs/dbraw/zinc/94/51/48/570945148.db2.gz BYQUCLIJNMMBOX-QFBILLFUSA-N 1 2 389.590 4.113 50 0 GIAALO CC(C)(C)OC(=O)NCCCC[C@H]([NH2+]Cc1cocn1)c1ccc(F)cc1F ZINC000585138588 570951287 /nfs/dbraw/zinc/95/12/87/570951287.db2.gz JKJOZDGYCDTXKQ-SFHVURJKSA-N 1 2 395.450 4.479 50 0 GIAALO CCN(CC)c1cc(CNC(=O)Nc2ccccc2Br)cc[nH+]1 ZINC000033280254 570954345 /nfs/dbraw/zinc/95/43/45/570954345.db2.gz STTGEWXCUNGIAL-UHFFFAOYSA-N 1 2 377.286 4.012 50 0 GIAALO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3nc4cc(F)ccc4[nH]3)C2)cc1C ZINC000019229016 570964589 /nfs/dbraw/zinc/96/45/89/570964589.db2.gz HLBOMXBQTPNZRX-INIZCTEOSA-N 1 2 395.478 4.422 50 0 GIAALO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3nc4cc(F)ccc4[nH]3)C2)cc1C ZINC000019229016 570964592 /nfs/dbraw/zinc/96/45/92/570964592.db2.gz HLBOMXBQTPNZRX-INIZCTEOSA-N 1 2 395.478 4.422 50 0 GIAALO CCCCCC[C@H](C)NC(=O)C[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000106915104 570968613 /nfs/dbraw/zinc/96/86/13/570968613.db2.gz DWVRLAVPELXJOQ-HTAPYJJXSA-N 1 2 388.531 4.056 50 0 GIAALO CCCCCC[C@H](C)NC(=O)C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000106915104 570968617 /nfs/dbraw/zinc/96/86/17/570968617.db2.gz DWVRLAVPELXJOQ-HTAPYJJXSA-N 1 2 388.531 4.056 50 0 GIAALO CCC(=O)N(c1cccc(OC)c1)C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000037560119 571031756 /nfs/dbraw/zinc/03/17/56/571031756.db2.gz WGRQDLWKYQBPBJ-UHFFFAOYSA-N 1 2 388.458 4.381 50 0 GIAALO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1Cc1nc(C2CC2)no1)OCCO3 ZINC000044000374 571095580 /nfs/dbraw/zinc/09/55/80/571095580.db2.gz POLCPRNKPJWEJM-CQSZACIVSA-N 1 2 381.476 4.107 50 0 GIAALO C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1Cc1nc(C2CC2)no1)OCCO3 ZINC000044000374 571095585 /nfs/dbraw/zinc/09/55/85/571095585.db2.gz POLCPRNKPJWEJM-CQSZACIVSA-N 1 2 381.476 4.107 50 0 GIAALO O=C1Nc2ccc(Br)cc2[C@H](c2ccccc2)[C@@H]1[NH+]1CCCCC1 ZINC000002333262 817384821 /nfs/dbraw/zinc/38/48/21/817384821.db2.gz OFTBNUXVIVMQLV-OALUTQOASA-N 1 2 385.305 4.388 50 0 GIAALO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccn2)c2ccccc2)cc1Cl ZINC000003476785 817464500 /nfs/dbraw/zinc/46/45/00/817464500.db2.gz WIFVCNRAELTFJE-FQEVSTJZSA-N 1 2 381.863 4.213 50 0 GIAALO C[C@H](NC(=O)/C=C/c1c(Cl)nc2ccccn12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000005267997 817567808 /nfs/dbraw/zinc/56/78/08/817567808.db2.gz IBHRXZSHJOVYTR-FEAKQIBJSA-N 1 2 391.862 4.064 50 0 GIAALO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007856534 817940459 /nfs/dbraw/zinc/94/04/59/817940459.db2.gz HEVPXIPCTMSLEA-KNQAVFIVSA-N 1 2 397.519 4.268 50 0 GIAALO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007856534 817940466 /nfs/dbraw/zinc/94/04/66/817940466.db2.gz HEVPXIPCTMSLEA-KNQAVFIVSA-N 1 2 397.519 4.268 50 0 GIAALO CCOC(=O)C1CC[NH+](CC(=O)c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000057672230 823320511 /nfs/dbraw/zinc/32/05/11/823320511.db2.gz FOTJFTLPBBNZPJ-UHFFFAOYSA-N 1 2 390.483 4.293 50 0 GIAALO O=C(CCSc1ccc(Cl)cc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000040023562 821126374 /nfs/dbraw/zinc/12/63/74/821126374.db2.gz RLBBVHLLSAKFJG-UHFFFAOYSA-N 1 2 385.920 4.383 50 0 GIAALO O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000040110634 821139422 /nfs/dbraw/zinc/13/94/22/821139422.db2.gz DSGDQOYDALGKAC-UHFFFAOYSA-N 1 2 384.439 4.049 50 0 GIAALO c1cn(Cc2ccc(CNc3nn4cc(-c5ccccc5)nc4s3)cc2)c[nH+]1 ZINC000040119615 821141789 /nfs/dbraw/zinc/14/17/89/821141789.db2.gz AKQCVAHQIOMKBE-UHFFFAOYSA-N 1 2 386.484 4.315 50 0 GIAALO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCN(c2ncc3ccccc3n2)CC1 ZINC000055358346 822954382 /nfs/dbraw/zinc/95/43/82/822954382.db2.gz WSKVAVFGIGXTBL-UHFFFAOYSA-N 1 2 399.498 4.224 50 0 GIAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC4(C)CCCC4)csc3C2)nc1 ZINC000426556034 529643317 /nfs/dbraw/zinc/64/33/17/529643317.db2.gz RGFQFRRAJYJJMI-UHFFFAOYSA-N 1 2 383.561 4.326 50 0 GIAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NC4(C)CCCC4)csc3C2)nc1 ZINC000426556034 529643321 /nfs/dbraw/zinc/64/33/21/529643321.db2.gz RGFQFRRAJYJJMI-UHFFFAOYSA-N 1 2 383.561 4.326 50 0 GIAALO CCc1cc(N2CCO[C@H](c3ccc(Cl)s3)C2)nc(-c2ccncc2)[nH+]1 ZINC000225434078 222677286 /nfs/dbraw/zinc/67/72/86/222677286.db2.gz YSZRCOBKTWEQBG-HNNXBMFYSA-N 1 2 386.908 4.394 50 0 GIAALO Cn1c(SCc2[nH+]ccn2Cc2ccc(Cl)cc2)nnc1C(F)(F)F ZINC000001039387 212208849 /nfs/dbraw/zinc/20/88/49/212208849.db2.gz GSGHHTSIPDUJGP-UHFFFAOYSA-N 1 2 387.818 4.024 50 0 GIAALO CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc([NH+](C)C)cc1 ZINC000000949594 212198226 /nfs/dbraw/zinc/19/82/26/212198226.db2.gz SENWXASWCYQILS-UHFFFAOYSA-N 1 2 393.443 4.008 50 0 GIAALO Cc1ccc2c(c1)c1c3n2CC[N@H+](C[C@H](O)COc2ccccc2C)[C@@H]3CCC1 ZINC000000756618 212179826 /nfs/dbraw/zinc/17/98/26/212179826.db2.gz FIGLUTGAGZGEAE-WMZHIEFXSA-N 1 2 390.527 4.391 50 0 GIAALO Cc1ccc2c(c1)c1c3n2CC[N@@H+](C[C@H](O)COc2ccccc2C)[C@@H]3CCC1 ZINC000000756618 212179831 /nfs/dbraw/zinc/17/98/31/212179831.db2.gz FIGLUTGAGZGEAE-WMZHIEFXSA-N 1 2 390.527 4.391 50 0 GIAALO CCOC(=O)c1ccc2[nH+]c(C)c3c(c2c1)O[C@H]([C@](C)(Cl)Br)C3 ZINC000001211872 212144036 /nfs/dbraw/zinc/14/40/36/212144036.db2.gz DAXNGEUIXDPMPH-YOEHRIQHSA-N 1 2 398.684 4.373 50 0 GIAALO Cc1cc(C)cc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000004341415 220709034 /nfs/dbraw/zinc/70/90/34/220709034.db2.gz WLWUFNSJPILAPR-UHFFFAOYSA-N 1 2 389.484 4.163 50 0 GIAALO Cc1noc(C)c1CSCC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000007738398 221008608 /nfs/dbraw/zinc/00/86/08/221008608.db2.gz PECXQJXKAYMVNJ-UHFFFAOYSA-N 1 2 384.505 4.239 50 0 GIAALO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3cccs3)[C@H](c3ccco3)C2)cc1 ZINC000007846003 221014322 /nfs/dbraw/zinc/01/43/22/221014322.db2.gz FXBXHBZQROIXFG-FQEVSTJZSA-N 1 2 393.512 4.459 50 0 GIAALO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3cccs3)[C@H](c3ccco3)C2)cc1 ZINC000007846003 221014325 /nfs/dbraw/zinc/01/43/25/221014325.db2.gz FXBXHBZQROIXFG-FQEVSTJZSA-N 1 2 393.512 4.459 50 0 GIAALO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)C[NH+]1CCCCC1 ZINC000008428666 221040813 /nfs/dbraw/zinc/04/08/13/221040813.db2.gz WTTYZPIIQDTXAD-UHFFFAOYSA-N 1 2 386.517 4.325 50 0 GIAALO COc1ccc(C[N@H+](C)CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1F ZINC000007978330 221017389 /nfs/dbraw/zinc/01/73/89/221017389.db2.gz GZAVBMOSZDRHSW-OAHLLOKOSA-N 1 2 388.508 4.184 50 0 GIAALO COc1ccc(C[N@@H+](C)CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1F ZINC000007978330 221017391 /nfs/dbraw/zinc/01/73/91/221017391.db2.gz GZAVBMOSZDRHSW-OAHLLOKOSA-N 1 2 388.508 4.184 50 0 GIAALO Cn1cc[nH+]c1[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccccc1 ZINC000009637870 221087173 /nfs/dbraw/zinc/08/71/73/221087173.db2.gz BPHJJVPQQKZIEW-XMMPIXPASA-N 1 2 397.478 4.372 50 0 GIAALO C[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1cccc(F)c1 ZINC000009753750 221092377 /nfs/dbraw/zinc/09/23/77/221092377.db2.gz RUBLRZZCPAIKNV-UHFFFAOYSA-N 1 2 384.451 4.328 50 0 GIAALO C[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)Cc1cccc(F)c1 ZINC000009753750 221092379 /nfs/dbraw/zinc/09/23/79/221092379.db2.gz RUBLRZZCPAIKNV-UHFFFAOYSA-N 1 2 384.451 4.328 50 0 GIAALO CC(C)n1cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cscn3)cc2)cn1 ZINC000011815563 221128351 /nfs/dbraw/zinc/12/83/51/221128351.db2.gz XBQABHCJNQOXAU-HXUWFJFHSA-N 1 2 395.532 4.191 50 0 GIAALO CC(C)n1cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cscn3)cc2)cn1 ZINC000011815563 221128353 /nfs/dbraw/zinc/12/83/53/221128353.db2.gz XBQABHCJNQOXAU-HXUWFJFHSA-N 1 2 395.532 4.191 50 0 GIAALO Cn1cc[nH+]c1CN1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000011819709 221129200 /nfs/dbraw/zinc/12/92/00/221129200.db2.gz KEBNUKXBCPCLBK-UHFFFAOYSA-N 1 2 384.483 4.147 50 0 GIAALO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@H+]1Cc1ccc(CO)o1 ZINC000011873465 221133910 /nfs/dbraw/zinc/13/39/10/221133910.db2.gz NSVYGVLCDUPGMU-QFIPXVFZSA-N 1 2 394.446 4.181 50 0 GIAALO O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@@H+]1Cc1ccc(CO)o1 ZINC000011873465 221133912 /nfs/dbraw/zinc/13/39/12/221133912.db2.gz NSVYGVLCDUPGMU-QFIPXVFZSA-N 1 2 394.446 4.181 50 0 GIAALO Cc1ccccc1OC1CC[NH+](Cc2nc(COc3ccccc3)no2)CC1 ZINC000011713609 221122605 /nfs/dbraw/zinc/12/26/05/221122605.db2.gz POLZEWLCDYHFDK-UHFFFAOYSA-N 1 2 379.460 4.000 50 0 GIAALO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3c3cccc(F)c3)n2)cc1 ZINC000012051884 221144360 /nfs/dbraw/zinc/14/43/60/221144360.db2.gz UGHALBGBBRVUKE-LJQANCHMSA-N 1 2 395.434 4.390 50 0 GIAALO COC(=O)c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3c3cccc(F)c3)n2)cc1 ZINC000012051884 221144361 /nfs/dbraw/zinc/14/43/61/221144361.db2.gz UGHALBGBBRVUKE-LJQANCHMSA-N 1 2 395.434 4.390 50 0 GIAALO C[N@H+](Cc1cc(C(=O)N2CC[C@@H](C3CCCCC3)C2)no1)Cc1ccccc1 ZINC000012456792 221197758 /nfs/dbraw/zinc/19/77/58/221197758.db2.gz NKMNWNQZLMGPRQ-HXUWFJFHSA-N 1 2 381.520 4.349 50 0 GIAALO C[N@@H+](Cc1cc(C(=O)N2CC[C@@H](C3CCCCC3)C2)no1)Cc1ccccc1 ZINC000012456792 221197761 /nfs/dbraw/zinc/19/77/61/221197761.db2.gz NKMNWNQZLMGPRQ-HXUWFJFHSA-N 1 2 381.520 4.349 50 0 GIAALO CCn1cc(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)c2ccccc21 ZINC000012535484 221202405 /nfs/dbraw/zinc/20/24/05/221202405.db2.gz BUJRMWMWAPOFIO-FQEVSTJZSA-N 1 2 376.435 4.053 50 0 GIAALO C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012550962 221204584 /nfs/dbraw/zinc/20/45/84/221204584.db2.gz WHKKILIXYLBAQP-GFCCVEGCSA-N 1 2 396.299 4.219 50 0 GIAALO C[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012549795 221204648 /nfs/dbraw/zinc/20/46/48/221204648.db2.gz PLMDJZMCTNTRAX-KRWDZBQOSA-N 1 2 377.488 4.426 50 0 GIAALO CC[C@H](C)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000012549870 221204778 /nfs/dbraw/zinc/20/47/78/221204778.db2.gz ZHZYNNKGSLCBOS-DLBZAZTESA-N 1 2 383.517 4.425 50 0 GIAALO O=C(NCCc1cn2ccccc2[nH+]1)c1ccccc1OCc1ccc(F)cc1 ZINC000012550604 221204948 /nfs/dbraw/zinc/20/49/48/221204948.db2.gz UHUXICBLAVSGHA-UHFFFAOYSA-N 1 2 389.430 4.025 50 0 GIAALO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2N2CCCCC2)cc1 ZINC000012555754 221206693 /nfs/dbraw/zinc/20/66/93/221206693.db2.gz WHABEZOVMBYKFQ-SFHVURJKSA-N 1 2 393.531 4.339 50 0 GIAALO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2N2CCCCC2)cc1 ZINC000012555754 221206697 /nfs/dbraw/zinc/20/66/97/221206697.db2.gz WHABEZOVMBYKFQ-SFHVURJKSA-N 1 2 393.531 4.339 50 0 GIAALO Cc1ccc([C@H](C)CC[N@H+](C)Cc2nnc(SCc3ccncc3)n2C)o1 ZINC000012727073 221221152 /nfs/dbraw/zinc/22/11/52/221221152.db2.gz QINQASAXZFPFPC-OAHLLOKOSA-N 1 2 385.537 4.029 50 0 GIAALO Cc1ccc([C@H](C)CC[N@@H+](C)Cc2nnc(SCc3ccncc3)n2C)o1 ZINC000012727073 221221154 /nfs/dbraw/zinc/22/11/54/221221154.db2.gz QINQASAXZFPFPC-OAHLLOKOSA-N 1 2 385.537 4.029 50 0 GIAALO C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012747710 221223778 /nfs/dbraw/zinc/22/37/78/221223778.db2.gz YQCOIRFQORFABD-SFHVURJKSA-N 1 2 380.385 4.296 50 0 GIAALO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012747710 221223780 /nfs/dbraw/zinc/22/37/80/221223780.db2.gz YQCOIRFQORFABD-SFHVURJKSA-N 1 2 380.385 4.296 50 0 GIAALO COC(=O)c1c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc2ccccc2c1-c1ccccc1 ZINC000012765756 221227924 /nfs/dbraw/zinc/22/79/24/221227924.db2.gz ZLZUQFBSDSVAFR-CALCHBBNSA-N 1 2 390.483 4.298 50 0 GIAALO COC(=O)c1c(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc2ccccc2c1-c1ccccc1 ZINC000012765756 221227927 /nfs/dbraw/zinc/22/79/27/221227927.db2.gz ZLZUQFBSDSVAFR-CALCHBBNSA-N 1 2 390.483 4.298 50 0 GIAALO Cc1ccc(-c2nc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cs2)cc1 ZINC000012780741 221230732 /nfs/dbraw/zinc/23/07/32/221230732.db2.gz ZAFCMYITRAIJFX-UHFFFAOYSA-N 1 2 377.513 4.077 50 0 GIAALO C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000012786891 221231783 /nfs/dbraw/zinc/23/17/83/221231783.db2.gz XEKJXKNGLMGQIE-CYBMUJFWSA-N 1 2 379.913 4.188 50 0 GIAALO c1ccc(-c2nc(NCc3ccc(N4CCOCC4)[nH+]c3)nc3ccccc32)cc1 ZINC000012910205 221244905 /nfs/dbraw/zinc/24/49/05/221244905.db2.gz OADSQLSOUJOAMK-UHFFFAOYSA-N 1 2 397.482 4.141 50 0 GIAALO CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000012814701 221236220 /nfs/dbraw/zinc/23/62/20/221236220.db2.gz ZKMJLCGICRHCAN-LJQANCHMSA-N 1 2 380.532 4.208 50 0 GIAALO Cc1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cnn1-c1ccc(C)cc1 ZINC000012917796 221246097 /nfs/dbraw/zinc/24/60/97/221246097.db2.gz YRDANORJMBSRST-UHFFFAOYSA-N 1 2 395.532 4.184 50 0 GIAALO CC(C)c1noc([C@@H](C)Sc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000012944540 221249037 /nfs/dbraw/zinc/24/90/37/221249037.db2.gz MPFMXBPFGCRDNK-LLVKDONJSA-N 1 2 384.440 4.314 50 0 GIAALO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2Cl)n(-c2ccccc2C)n1 ZINC000012974838 221251240 /nfs/dbraw/zinc/25/12/40/221251240.db2.gz XTZLZBBWCHTBFU-UHFFFAOYSA-N 1 2 382.895 4.213 50 0 GIAALO Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2Cl)n(-c2ccccc2C)n1 ZINC000012974838 221251243 /nfs/dbraw/zinc/25/12/43/221251243.db2.gz XTZLZBBWCHTBFU-UHFFFAOYSA-N 1 2 382.895 4.213 50 0 GIAALO Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000013691661 221282102 /nfs/dbraw/zinc/28/21/02/221282102.db2.gz ZXVPTVOKPHJUCU-UHFFFAOYSA-N 1 2 398.919 4.129 50 0 GIAALO COc1ccc(C(=O)C2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000014325890 221307987 /nfs/dbraw/zinc/30/79/87/221307987.db2.gz WTFVVKQDMFGBPK-UHFFFAOYSA-N 1 2 376.456 4.445 50 0 GIAALO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3c(C)nn(C)c3Cl)C2)cc1 ZINC000014961161 221320213 /nfs/dbraw/zinc/32/02/13/221320213.db2.gz RQOJDOWVWMSDRU-HNNXBMFYSA-N 1 2 377.941 4.199 50 0 GIAALO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3c(C)nn(C)c3Cl)C2)cc1 ZINC000014961161 221320216 /nfs/dbraw/zinc/32/02/16/221320216.db2.gz RQOJDOWVWMSDRU-HNNXBMFYSA-N 1 2 377.941 4.199 50 0 GIAALO CC[N@H+](CCCNC(=O)c1noc2c1CCc1sccc1-2)c1cccc(C)c1 ZINC000015733195 221342200 /nfs/dbraw/zinc/34/22/00/221342200.db2.gz HYOLWXQDEKLCPY-UHFFFAOYSA-N 1 2 395.528 4.457 50 0 GIAALO CC[N@@H+](CCCNC(=O)c1noc2c1CCc1sccc1-2)c1cccc(C)c1 ZINC000015733195 221342202 /nfs/dbraw/zinc/34/22/02/221342202.db2.gz HYOLWXQDEKLCPY-UHFFFAOYSA-N 1 2 395.528 4.457 50 0 GIAALO Cc1ccc2cc(C(=O)NCc3ccc(N4CCC(C)CC4)[nH+]c3)c(C)nc2c1 ZINC000048290383 132431730 /nfs/dbraw/zinc/43/17/30/132431730.db2.gz HAGWHAPDIUMEEZ-UHFFFAOYSA-N 1 2 388.515 4.413 50 0 GIAALO O=C(Nc1cc(F)ccc1F)C1CCN(c2ccc(-n3cccc3)c[nH+]2)CC1 ZINC000033106209 221772258 /nfs/dbraw/zinc/77/22/58/221772258.db2.gz WLLYHYLIMNPMRF-UHFFFAOYSA-N 1 2 382.414 4.006 50 0 GIAALO CC(C)(C)C(=O)Nc1ncccc1C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000055212067 222017761 /nfs/dbraw/zinc/01/77/61/222017761.db2.gz GMGMYKYKYHGLDY-HXUWFJFHSA-N 1 2 399.510 4.387 50 0 GIAALO CC(C)(C)C(=O)Nc1ncccc1C[N@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000055212067 222017764 /nfs/dbraw/zinc/01/77/64/222017764.db2.gz GMGMYKYKYHGLDY-HXUWFJFHSA-N 1 2 399.510 4.387 50 0 GIAALO COc1c(C)c[nH+]c(CNC(=O)c2csc(-c3ccc(C)cc3C)n2)c1C ZINC000064997593 222093430 /nfs/dbraw/zinc/09/34/30/222093430.db2.gz AZFFFMJEQOKCBH-UHFFFAOYSA-N 1 2 381.501 4.377 50 0 GIAALO COc1ccc(-c2[nH+]c(C)cc(C)c2CNS(=O)(=O)c2cccc(C)c2)cc1 ZINC000065171478 222106103 /nfs/dbraw/zinc/10/61/03/222106103.db2.gz VKHKKRANGRDRQK-UHFFFAOYSA-N 1 2 396.512 4.161 50 0 GIAALO CN(C)c1ccc(C(=O)N2CCC(Cn3cc[nH+]c3-c3ccccc3)CC2)cc1 ZINC000062130120 222065823 /nfs/dbraw/zinc/06/58/23/222065823.db2.gz KUIQKZUFKXAMHF-UHFFFAOYSA-N 1 2 388.515 4.169 50 0 GIAALO Cc1nn(C)cc1C[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000064058331 222068992 /nfs/dbraw/zinc/06/89/92/222068992.db2.gz OJYXVWKGNBAWKY-UHFFFAOYSA-N 1 2 383.879 4.149 50 0 GIAALO Cc1nn(C)cc1C[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000064058331 222068995 /nfs/dbraw/zinc/06/89/95/222068995.db2.gz OJYXVWKGNBAWKY-UHFFFAOYSA-N 1 2 383.879 4.149 50 0 GIAALO Clc1ccc(-n2nc(C3CC3)nc2[C@H](c2cccnc2)[NH+]2CCCC2)cc1 ZINC000065435357 222129918 /nfs/dbraw/zinc/12/99/18/222129918.db2.gz AVWKELMLVPSIDN-IBGZPJMESA-N 1 2 379.895 4.378 50 0 GIAALO O=c1ccc(-c2ccccc2)nn1CCn1c[nH+]c(-c2ccccc2)c1C1CC1 ZINC000065424851 222130353 /nfs/dbraw/zinc/13/03/53/222130353.db2.gz LGXOIKKAHWNXRG-UHFFFAOYSA-N 1 2 382.467 4.351 50 0 GIAALO Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2[C@H](CO)c2ccccc2)n1 ZINC000065490998 222132299 /nfs/dbraw/zinc/13/22/99/222132299.db2.gz ROBOIXUKQWNVFT-HSZRJFAPSA-N 1 2 386.499 4.188 50 0 GIAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1cccs1)N1CCSCC1 ZINC000072328512 222228548 /nfs/dbraw/zinc/22/85/48/222228548.db2.gz HOBDIAUYXUVDAS-UHFFFAOYSA-N 1 2 387.505 4.237 50 0 GIAALO Cn1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)cn1 ZINC000095500459 222334230 /nfs/dbraw/zinc/33/42/30/222334230.db2.gz HZSIMBJOZNKEQC-NRFANRHFSA-N 1 2 394.906 4.344 50 0 GIAALO Cn1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)cn1 ZINC000095500459 222334233 /nfs/dbraw/zinc/33/42/33/222334233.db2.gz HZSIMBJOZNKEQC-NRFANRHFSA-N 1 2 394.906 4.344 50 0 GIAALO Cc1c2cccc(F)c2[nH]c1C(=O)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095505956 222339283 /nfs/dbraw/zinc/33/92/83/222339283.db2.gz TZTAFASUADDRRH-UHFFFAOYSA-N 1 2 380.467 4.242 50 0 GIAALO Cc1ccc(Cl)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)c1 ZINC000095509252 222340779 /nfs/dbraw/zinc/34/07/79/222340779.db2.gz VWAOFHMQZDEKRM-QGZVFWFLSA-N 1 2 394.906 4.308 50 0 GIAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3cc(F)ccc3n2C)C1 ZINC000095512893 222341723 /nfs/dbraw/zinc/34/17/23/222341723.db2.gz BGYTUIQSAPWSQV-INIZCTEOSA-N 1 2 382.483 4.334 50 0 GIAALO Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc4[nH]c(C(C)C)[nH+]c4c3)ccc12 ZINC000079194124 222304690 /nfs/dbraw/zinc/30/46/90/222304690.db2.gz QGBTVHDUBLAOJJ-UHFFFAOYSA-N 1 2 391.427 4.119 50 0 GIAALO O=C(CCC(=O)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1)c1ccccc1 ZINC000095524373 222348318 /nfs/dbraw/zinc/34/83/18/222348318.db2.gz QDVOKLUWMIAIOA-FQEVSTJZSA-N 1 2 379.504 4.052 50 0 GIAALO O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095526125 222349777 /nfs/dbraw/zinc/34/97/77/222349777.db2.gz KTVUBMPMXSRAGC-SFHVURJKSA-N 1 2 376.504 4.113 50 0 GIAALO Cc1ccc2c(CC(=O)N[C@H](c3[nH+]ccn3C)c3ccc(F)cc3)coc2c1C ZINC000022195596 534379667 /nfs/dbraw/zinc/37/96/67/534379667.db2.gz MJADENMUIIDFDC-NRFANRHFSA-N 1 2 391.446 4.371 50 0 GIAALO COc1ccccc1N1CC[NH+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000058018541 537069316 /nfs/dbraw/zinc/06/93/16/537069316.db2.gz BDYRCKMYKSDZAP-HNNXBMFYSA-N 1 2 398.894 4.282 50 0 GIAALO C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1Cl ZINC000047798609 570215495 /nfs/dbraw/zinc/21/54/95/570215495.db2.gz PHGBZPKBPAMNHL-ZDUSSCGKSA-N 1 2 393.318 4.418 50 0 GIAALO Cc1cccc(OC2CC[NH+](Cn3c4cc(Cl)ccc4oc3=O)CC2)c1C ZINC000048286651 570231651 /nfs/dbraw/zinc/23/16/51/570231651.db2.gz ZNENKCICTQORKG-UHFFFAOYSA-N 1 2 386.879 4.366 50 0 GIAALO COc1cccc(C[NH+]2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000020274216 570251086 /nfs/dbraw/zinc/25/10/86/570251086.db2.gz IYBNHZDBCUGJLY-UHFFFAOYSA-N 1 2 393.409 4.064 50 0 GIAALO Cc1cccc(NC(=O)C[NH+]2CCC(c3nnc(-c4ccco4)s3)CC2)c1C ZINC000049363116 570263240 /nfs/dbraw/zinc/26/32/40/570263240.db2.gz GEHXEIDEFDSMRT-UHFFFAOYSA-N 1 2 396.516 4.233 50 0 GIAALO Cc1nc2sc3c(c2c2nc(-c4cccc(OC(C)C)c4)nn21)CC[N@H+](C)C3 ZINC000020567144 570268183 /nfs/dbraw/zinc/26/81/83/570268183.db2.gz JJNKVDOWZJAWCS-UHFFFAOYSA-N 1 2 393.516 4.090 50 0 GIAALO Cc1nc2sc3c(c2c2nc(-c4cccc(OC(C)C)c4)nn21)CC[N@@H+](C)C3 ZINC000020567144 570268187 /nfs/dbraw/zinc/26/81/87/570268187.db2.gz JJNKVDOWZJAWCS-UHFFFAOYSA-N 1 2 393.516 4.090 50 0 GIAALO COc1ccc2[nH]c(C[N@@H+]3CCC[C@H](N(C)CCc4ccccn4)C3)c(C)c2c1 ZINC000020598785 570269571 /nfs/dbraw/zinc/26/95/71/570269571.db2.gz GDXMJYPCIAGSQD-FQEVSTJZSA-N 1 2 392.547 4.019 50 0 GIAALO COc1ccc2[nH]c(C[N@H+]3CCC[C@H](N(C)CCc4ccccn4)C3)c(C)c2c1 ZINC000020598785 570269572 /nfs/dbraw/zinc/26/95/72/570269572.db2.gz GDXMJYPCIAGSQD-FQEVSTJZSA-N 1 2 392.547 4.019 50 0 GIAALO CCOc1cccc(C[N@@H+]2CCc3nc(Nc4cccc(OC)c4)ncc3C2)c1 ZINC000021038449 570287671 /nfs/dbraw/zinc/28/76/71/570287671.db2.gz JSTRDRKPUQSIOL-UHFFFAOYSA-N 1 2 390.487 4.186 50 0 GIAALO CCOc1cccc(C[N@H+]2CCc3nc(Nc4cccc(OC)c4)ncc3C2)c1 ZINC000021038449 570287674 /nfs/dbraw/zinc/28/76/74/570287674.db2.gz JSTRDRKPUQSIOL-UHFFFAOYSA-N 1 2 390.487 4.186 50 0 GIAALO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(OC)c(OC)c2)no1 ZINC000021719928 570294884 /nfs/dbraw/zinc/29/48/84/570294884.db2.gz QIFXXGYFRCROCJ-IBGZPJMESA-N 1 2 396.491 4.372 50 0 GIAALO CCCc1cc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2ccc(OC)c(OC)c2)no1 ZINC000021719928 570294887 /nfs/dbraw/zinc/29/48/87/570294887.db2.gz QIFXXGYFRCROCJ-IBGZPJMESA-N 1 2 396.491 4.372 50 0 GIAALO CC[N@H+](CCCNC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000060880872 570304182 /nfs/dbraw/zinc/30/41/82/570304182.db2.gz DWDALLUMPVYJHC-VQIMIIECSA-N 1 2 397.494 4.067 50 0 GIAALO CC[N@@H+](CCCNC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000060880872 570304184 /nfs/dbraw/zinc/30/41/84/570304184.db2.gz DWDALLUMPVYJHC-VQIMIIECSA-N 1 2 397.494 4.067 50 0 GIAALO COc1ccc(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4[nH+]3)c2)cc1 ZINC000002840521 570306766 /nfs/dbraw/zinc/30/67/66/570306766.db2.gz ZSPUDVOQLKKBRF-UHFFFAOYSA-N 1 2 393.468 4.119 50 0 GIAALO O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289407 570312482 /nfs/dbraw/zinc/31/24/82/570312482.db2.gz MVTGMGQMMMLFOH-UHFFFAOYSA-N 1 2 383.439 4.329 50 0 GIAALO Fc1ccc([C@@H](CNc2ncnc3c4ccccc4oc32)[NH+]2CCOCC2)cc1 ZINC000023381272 570322426 /nfs/dbraw/zinc/32/24/26/570322426.db2.gz KTGWYBHPQMVZCR-GOSISDBHSA-N 1 2 392.434 4.001 50 0 GIAALO C[C@H](C(=O)Nc1ccccc1Cl)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000022916763 570335239 /nfs/dbraw/zinc/33/52/39/570335239.db2.gz BMMINVQYUHFCSL-CYBMUJFWSA-N 1 2 398.359 4.200 50 0 GIAALO O=C(C[N@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)Nc1ccc(Cl)cc1 ZINC000035404251 570351033 /nfs/dbraw/zinc/35/10/33/570351033.db2.gz CXXQZTHSXRXNLK-UHFFFAOYSA-N 1 2 392.890 4.254 50 0 GIAALO O=C(C[N@@H+]1CC=C(c2cnn(-c3ccccc3)c2)CC1)Nc1ccc(Cl)cc1 ZINC000035404251 570351035 /nfs/dbraw/zinc/35/10/35/570351035.db2.gz CXXQZTHSXRXNLK-UHFFFAOYSA-N 1 2 392.890 4.254 50 0 GIAALO Cc1ccc(NC(=O)C[N@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc1C ZINC000035404280 570351419 /nfs/dbraw/zinc/35/14/19/570351419.db2.gz LSFGRIPUDPEWGX-UHFFFAOYSA-N 1 2 386.499 4.217 50 0 GIAALO Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3cnn(-c4ccccc4)c3)CC2)cc1C ZINC000035404280 570351421 /nfs/dbraw/zinc/35/14/21/570351421.db2.gz LSFGRIPUDPEWGX-UHFFFAOYSA-N 1 2 386.499 4.217 50 0 GIAALO CCCCc1nc2cc(C(=O)N3CC[N@H+](C)[C@@H](c4ccccc4)C3)ccc2o1 ZINC000023366621 570357257 /nfs/dbraw/zinc/35/72/57/570357257.db2.gz GLVRIQPWUXDCNB-HXUWFJFHSA-N 1 2 377.488 4.299 50 0 GIAALO CCCCc1nc2cc(C(=O)N3CC[N@@H+](C)[C@@H](c4ccccc4)C3)ccc2o1 ZINC000023366621 570357259 /nfs/dbraw/zinc/35/72/59/570357259.db2.gz GLVRIQPWUXDCNB-HXUWFJFHSA-N 1 2 377.488 4.299 50 0 GIAALO Cc1ccc(C2=NC3(CC[NH+](Cc4c(F)cccc4Cl)CC3)NC2=O)cc1C ZINC000035430944 570359252 /nfs/dbraw/zinc/35/92/52/570359252.db2.gz LEPGUPDMSWRHTQ-UHFFFAOYSA-N 1 2 399.897 4.007 50 0 GIAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)c2cc(-c3cccs3)on2)C1 ZINC000575618931 570365259 /nfs/dbraw/zinc/36/52/59/570365259.db2.gz XQKMNGRWHLYKIZ-AWEZNQCLSA-N 1 2 378.457 4.148 50 0 GIAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=S)N3C[C@H](C)C[C@@H](C)C3)cc12 ZINC000004969815 570384737 /nfs/dbraw/zinc/38/47/37/570384737.db2.gz MRXIEKQWNGFKJW-HZPDHXFCSA-N 1 2 398.576 4.055 50 0 GIAALO Cc1nc2cc(Cl)ccc2cc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000024914777 570398115 /nfs/dbraw/zinc/39/81/15/570398115.db2.gz NOHMGUJKQQCZHE-UHFFFAOYSA-N 1 2 380.879 4.122 50 0 GIAALO Cc1ccc(C)n1-c1ccc[nH+]c1N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000033034458 570399614 /nfs/dbraw/zinc/39/96/14/570399614.db2.gz YHRSEDDZXOXRLM-UHFFFAOYSA-N 1 2 388.515 4.022 50 0 GIAALO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)CN1CCSC1=O ZINC000025046410 570403809 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O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(=O)c2ccccc2o1 ZINC000028289082 570455124 /nfs/dbraw/zinc/45/51/24/570455124.db2.gz AFJDNOVGDRZSGQ-GOSISDBHSA-N 1 2 396.874 4.013 50 0 GIAALO C[C@@H](CCc1ccccc1)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000029319914 570471791 /nfs/dbraw/zinc/47/17/91/570471791.db2.gz LANYCHHSTHNTHR-JXFKEZNVSA-N 1 2 396.922 4.483 50 0 GIAALO COc1cccc(C(=O)N(Cc2[nH+]ccn2Cc2ccccc2C)C(C)C)c1 ZINC000035979744 570499386 /nfs/dbraw/zinc/49/93/86/570499386.db2.gz QTTXPFRPDQWJBQ-UHFFFAOYSA-N 1 2 377.488 4.299 50 0 GIAALO COc1cc(-c2[nH+]c3ccc(C)cn3c2Nc2ccc3c(c2)OCO3)ccc1O ZINC000007498989 570506355 /nfs/dbraw/zinc/50/63/55/570506355.db2.gz BIVQPRXWPBXQFC-UHFFFAOYSA-N 1 2 389.411 4.496 50 0 GIAALO C[C@@H](NC(=O)CCc1nc2ccccc2s1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000006648759 570518298 /nfs/dbraw/zinc/51/82/98/570518298.db2.gz LEZPBILYFFPGFR-OAHLLOKOSA-N 1 2 376.485 4.292 50 0 GIAALO COc1ccc(Cn2cc[nH+]c2CN(C(=O)c2ccc(F)cc2)C(C)C)cc1 ZINC000006723664 570552278 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Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000007050186 220985232 /nfs/dbraw/zinc/98/52/32/220985232.db2.gz JIRQUMJYSPDACY-GOSISDBHSA-N 1 2 383.517 4.145 50 0 GIAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1c[nH]c2ccccc21 ZINC000007735700 221009418 /nfs/dbraw/zinc/00/94/18/221009418.db2.gz LRIDWCHULJRAGD-UHFFFAOYSA-N 1 2 385.452 4.272 50 0 GIAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1ccc2c(c1)OCO2 ZINC000008000788 221023983 /nfs/dbraw/zinc/02/39/83/221023983.db2.gz NBDHLXADVRSZML-FQEVSTJZSA-N 1 2 398.509 4.125 50 0 GIAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccs1)Nc1ccc2c(c1)OCO2 ZINC000008000788 221023985 /nfs/dbraw/zinc/02/39/85/221023985.db2.gz NBDHLXADVRSZML-FQEVSTJZSA-N 1 2 398.509 4.125 50 0 GIAALO O=C(C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)NCc1cccc(Cl)c1 ZINC000007910267 221016040 /nfs/dbraw/zinc/01/60/40/221016040.db2.gz FOWNVCYYABTHPV-QGZVFWFLSA-N 1 2 385.920 4.403 50 0 GIAALO O=C(C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)NCc1cccc(Cl)c1 ZINC000007910267 221016042 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GIAALO O=C(C[N@H+]1CCc2sccc2C1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000010341685 221101523 /nfs/dbraw/zinc/10/15/23/221101523.db2.gz OUHPUWDEHZNDDQ-UHFFFAOYSA-N 1 2 386.904 4.336 50 0 GIAALO COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3nccs3)c(C)o2)c1OC ZINC000011933292 221137819 /nfs/dbraw/zinc/13/78/19/221137819.db2.gz AIFXBYOVHUDIPC-MRXNPFEDSA-N 1 2 385.489 4.461 50 0 GIAALO COc1cccc(-c2nc(C[N@H+]3CCC[C@@H]3c3nccs3)c(C)o2)c1OC ZINC000011933292 221137821 /nfs/dbraw/zinc/13/78/21/221137821.db2.gz AIFXBYOVHUDIPC-MRXNPFEDSA-N 1 2 385.489 4.461 50 0 GIAALO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000012298206 221176532 /nfs/dbraw/zinc/17/65/32/221176532.db2.gz QQPKPFMENVXCLD-AWEZNQCLSA-N 1 2 375.827 4.303 50 0 GIAALO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000012298206 221176536 /nfs/dbraw/zinc/17/65/36/221176536.db2.gz QQPKPFMENVXCLD-AWEZNQCLSA-N 1 2 375.827 4.303 50 0 GIAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 ZINC000012507697 221200477 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0 GIAALO COc1cccc(-c2nn(C[N@H+]3CCC[C@H]3c3ccccc3)c(=S)n2C)c1 ZINC000012813389 221236368 /nfs/dbraw/zinc/23/63/68/221236368.db2.gz ASCHYXQHEBJXQM-IBGZPJMESA-N 1 2 380.517 4.421 50 0 GIAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc(F)cc3)no2)c(OC)c1 ZINC000012820654 221237189 /nfs/dbraw/zinc/23/71/89/221237189.db2.gz BYQQEYTVOVVPKQ-GOSISDBHSA-N 1 2 383.423 4.230 50 0 GIAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc(F)cc3)no2)c(OC)c1 ZINC000012820654 221237192 /nfs/dbraw/zinc/23/71/92/221237192.db2.gz BYQQEYTVOVVPKQ-GOSISDBHSA-N 1 2 383.423 4.230 50 0 GIAALO C[N@@H+]1CCc2nc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)sc2C1 ZINC000012927968 221247905 /nfs/dbraw/zinc/24/79/05/221247905.db2.gz LNSUDLSJQSYNLZ-UHFFFAOYSA-N 1 2 383.498 4.004 50 0 GIAALO C[N@H+]1CCc2nc(NC(=O)c3cc4c(s3)-c3ccccc3OC4)sc2C1 ZINC000012927968 221247907 /nfs/dbraw/zinc/24/79/07/221247907.db2.gz LNSUDLSJQSYNLZ-UHFFFAOYSA-N 1 2 383.498 4.004 50 0 GIAALO CCCc1ccc([C@@H](C)NC(=O)C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000013323200 221265366 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GIAALO C[C@@H]1CCC[C@H](C)N1C(=O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000013109206 221261893 /nfs/dbraw/zinc/26/18/93/221261893.db2.gz LZLSMEOHBAVPNZ-HDICACEKSA-N 1 2 376.504 4.438 50 0 GIAALO Cc1oc(-c2ccc(F)cc2)nc1C[N@@H+](Cc1ccccn1)C[C@H]1CCCO1 ZINC000013595871 221276716 /nfs/dbraw/zinc/27/67/16/221276716.db2.gz QIGOWXGFIUHTLG-HXUWFJFHSA-N 1 2 381.451 4.365 50 0 GIAALO Cc1oc(-c2ccc(F)cc2)nc1C[N@H+](Cc1ccccn1)C[C@H]1CCCO1 ZINC000013595871 221276718 /nfs/dbraw/zinc/27/67/18/221276718.db2.gz QIGOWXGFIUHTLG-HXUWFJFHSA-N 1 2 381.451 4.365 50 0 GIAALO CCOCN(C(=O)Cn1c(CC)[nH+]c2ccccc21)c1c(C)cccc1CC ZINC000013426437 221268333 /nfs/dbraw/zinc/26/83/33/221268333.db2.gz ACZHDDHLKKDTSA-UHFFFAOYSA-N 1 2 379.504 4.497 50 0 GIAALO CC(=O)c1cccc(OCCC[NH+]2CCN(c3nsc4ccccc43)CC2)c1 ZINC000013729843 221285241 /nfs/dbraw/zinc/28/52/41/221285241.db2.gz QLASVIKEYBIVJM-UHFFFAOYSA-N 1 2 395.528 4.090 50 0 GIAALO O=C([C@H]([NH2+][C@H](c1cccs1)c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000014141757 221300919 /nfs/dbraw/zinc/30/09/19/221300919.db2.gz UFQPPOOHNTXODH-FCHUYYIVSA-N 1 2 392.524 4.027 50 0 GIAALO COc1ccc(OCc2noc(C[NH+]3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000014241185 221305284 /nfs/dbraw/zinc/30/52/84/221305284.db2.gz WXMMRACODPEVHM-UHFFFAOYSA-N 1 2 393.487 4.112 50 0 GIAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccc(C)cc3)no2)c(OC)c1 ZINC000015367096 221334921 /nfs/dbraw/zinc/33/49/21/221334921.db2.gz VGTQEEKLRNZMDR-LJQANCHMSA-N 1 2 379.460 4.399 50 0 GIAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccc(C)cc3)no2)c(OC)c1 ZINC000015367096 221334923 /nfs/dbraw/zinc/33/49/23/221334923.db2.gz VGTQEEKLRNZMDR-LJQANCHMSA-N 1 2 379.460 4.399 50 0 GIAALO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000015063306 221328326 /nfs/dbraw/zinc/32/83/26/221328326.db2.gz SQARVVRUJYPNNT-OAHLLOKOSA-N 1 2 380.469 4.120 50 0 GIAALO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000015063306 221328328 /nfs/dbraw/zinc/32/83/28/221328328.db2.gz SQARVVRUJYPNNT-OAHLLOKOSA-N 1 2 380.469 4.120 50 0 GIAALO C[C@@H]([NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccccc1Br ZINC000016685048 221367968 /nfs/dbraw/zinc/36/79/68/221367968.db2.gz YDHNJOBJYAHHJV-SNVBAGLBSA-N 1 2 392.684 4.190 50 0 GIAALO C[C@H]([NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccccc1Br ZINC000016685050 221368101 /nfs/dbraw/zinc/36/81/01/221368101.db2.gz YDHNJOBJYAHHJV-JTQLQIEISA-N 1 2 392.684 4.190 50 0 GIAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000016690117 221368816 /nfs/dbraw/zinc/36/88/16/221368816.db2.gz AHCGVMQAMMKOBS-DAYGRLMNSA-N 1 2 384.549 4.435 50 0 GIAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000016690117 221368819 /nfs/dbraw/zinc/36/88/19/221368819.db2.gz AHCGVMQAMMKOBS-DAYGRLMNSA-N 1 2 384.549 4.435 50 0 GIAALO CCOC(=O)N1CC[NH+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000015962261 221354022 /nfs/dbraw/zinc/35/40/22/221354022.db2.gz ZSPFWWLRWDFOAS-UHFFFAOYSA-N 1 2 390.487 4.018 50 0 GIAALO Clc1cccc(-c2nnc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)o2)c1 ZINC000058022681 136154332 /nfs/dbraw/zinc/15/43/32/136154332.db2.gz CPGYJLMRUZCPGY-UHFFFAOYSA-N 1 2 389.286 4.366 50 0 GIAALO O=C(C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc(Cl)c1 ZINC000058151984 136154601 /nfs/dbraw/zinc/15/46/01/136154601.db2.gz MHUBHYRVWALPKX-UHFFFAOYSA-N 1 2 397.828 4.120 50 0 GIAALO Cc1cccc(C)c1N1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000063111024 136156387 /nfs/dbraw/zinc/15/63/87/136156387.db2.gz PNHYISUSSVTYDR-UHFFFAOYSA-N 1 2 382.895 4.329 50 0 GIAALO OC1CCN(c2[nH+]cccc2NCc2cc(Br)ccc2Cl)CC1 ZINC000095983806 136182971 /nfs/dbraw/zinc/18/29/71/136182971.db2.gz UPJVADDOQHMYGL-UHFFFAOYSA-N 1 2 396.716 4.071 50 0 GIAALO CSc1cc(N)[nH+]c(-c2ccc(N3CCN(c4ccccc4)CC3)cc2)c1 ZINC000096316079 136186284 /nfs/dbraw/zinc/18/62/84/136186284.db2.gz KDDNCFPMGMFKRY-UHFFFAOYSA-N 1 2 376.529 4.379 50 0 GIAALO Cc1ccc(-c2csc3ncnc(N4CCN(c5cccc[nH+]5)CC4)c23)cc1 ZINC000100843732 136189235 /nfs/dbraw/zinc/18/92/35/136189235.db2.gz DUOWVIZYBCTDIY-UHFFFAOYSA-N 1 2 387.512 4.388 50 0 GIAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3ccc(Br)o3)CC2)c1 ZINC000000752279 136195972 /nfs/dbraw/zinc/19/59/72/136195972.db2.gz KSJVPJFHTJKVKH-UHFFFAOYSA-N 1 2 389.215 4.383 50 0 GIAALO Cc1nc(-c2ccc(N3CCC([NH2+]Cc4noc(C5CC5)n4)CC3)cc2)cs1 ZINC000023581134 221600973 /nfs/dbraw/zinc/60/09/73/221600973.db2.gz QBWHFMFHRGSLDR-UHFFFAOYSA-N 1 2 395.532 4.138 50 0 GIAALO Cc1cccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+]2CCOCC2)c1 ZINC000028290917 221674777 /nfs/dbraw/zinc/67/47/77/221674777.db2.gz SWNIWEGWKZCIIG-JOCHJYFZSA-N 1 2 380.532 4.096 50 0 GIAALO O=C(CSc1ccncc1)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000032960673 221757760 /nfs/dbraw/zinc/75/77/60/221757760.db2.gz HORUHTVDDUCVKB-UHFFFAOYSA-N 1 2 388.496 4.474 50 0 GIAALO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2cccc(F)c2)C3)n1 ZINC000055244270 222017432 /nfs/dbraw/zinc/01/74/32/222017432.db2.gz IYKKXGVHASYRCB-UHFFFAOYSA-N 1 2 394.446 4.300 50 0 GIAALO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2cccc(F)c2)C3)n1 ZINC000055244270 222017437 /nfs/dbraw/zinc/01/74/37/222017437.db2.gz IYKKXGVHASYRCB-UHFFFAOYSA-N 1 2 394.446 4.300 50 0 GIAALO CN(C)c1nc(Cl)c(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)s1 ZINC000055404434 222022552 /nfs/dbraw/zinc/02/25/52/222022552.db2.gz LEFAMVRAQGWTOD-UHFFFAOYSA-N 1 2 379.892 4.024 50 0 GIAALO CN(C)c1nc(Cl)c(C[N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)s1 ZINC000055404434 222022556 /nfs/dbraw/zinc/02/25/56/222022556.db2.gz LEFAMVRAQGWTOD-UHFFFAOYSA-N 1 2 379.892 4.024 50 0 GIAALO CC(C)(C)c1cc(C[N@H+](Cc2cccnc2)Cc2ccc3c(c2)OCO3)[nH]n1 ZINC000055403642 222022893 /nfs/dbraw/zinc/02/28/93/222022893.db2.gz KTYUSMHOQLDMBP-UHFFFAOYSA-N 1 2 378.476 4.033 50 0 GIAALO CC(C)(C)c1cc(C[N@@H+](Cc2cccnc2)Cc2ccc3c(c2)OCO3)[nH]n1 ZINC000055403642 222022897 /nfs/dbraw/zinc/02/28/97/222022897.db2.gz KTYUSMHOQLDMBP-UHFFFAOYSA-N 1 2 378.476 4.033 50 0 GIAALO Cc1ccn2cc(CNC(=O)NCC(c3ccccc3)c3ccccc3)[nH+]c2c1 ZINC000058439104 222054911 /nfs/dbraw/zinc/05/49/11/222054911.db2.gz SRQOCDVJRHVMNQ-UHFFFAOYSA-N 1 2 384.483 4.274 50 0 GIAALO O=C(COc1ccccc1F)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062130224 222065806 /nfs/dbraw/zinc/06/58/06/222065806.db2.gz YKKWDTNGIVGSJW-UHFFFAOYSA-N 1 2 393.462 4.007 50 0 GIAALO Fc1ccc(C[N@H+](Cc2ccncc2)Cc2cnc(-c3ccccn3)nc2)cc1 ZINC000063869004 222069836 /nfs/dbraw/zinc/06/98/36/222069836.db2.gz OKIDTUYCDJEWQY-UHFFFAOYSA-N 1 2 385.446 4.275 50 0 GIAALO Fc1ccc(C[N@@H+](Cc2ccncc2)Cc2cnc(-c3ccccn3)nc2)cc1 ZINC000063869004 222069840 /nfs/dbraw/zinc/06/98/40/222069840.db2.gz OKIDTUYCDJEWQY-UHFFFAOYSA-N 1 2 385.446 4.275 50 0 GIAALO Cc1ccc(-c2nc(NCCc3cccnc3)ncc2-c2ccc(N)[nH+]c2)cc1 ZINC000065372874 222125902 /nfs/dbraw/zinc/12/59/02/222125902.db2.gz CTNHWGTWOACVSR-UHFFFAOYSA-N 1 2 382.471 4.146 50 0 GIAALO CCCOCC[N@@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067772971 222159807 /nfs/dbraw/zinc/15/98/07/222159807.db2.gz UZODCWGMQSXERK-UHFFFAOYSA-N 1 2 384.501 4.290 50 0 GIAALO CCCOCC[N@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067772971 222159809 /nfs/dbraw/zinc/15/98/09/222159809.db2.gz 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O=C(c1ccc2ccccc2c1)[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccnc3)o2)C1 ZINC000071763237 222194502 /nfs/dbraw/zinc/19/45/02/222194502.db2.gz BRSFHOGWWXHIAT-OAQYLSRUSA-N 1 2 398.466 4.380 50 0 GIAALO CSc1nc(C)cc(NCCCCCCNc2cc(C)[nH+]c(SC)n2)n1 ZINC000071775401 222197822 /nfs/dbraw/zinc/19/78/22/222197822.db2.gz KJXKRMISZXBTLC-UHFFFAOYSA-N 1 2 392.598 4.412 50 0 GIAALO Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(C(=O)c4ccc(O)cc4)CC3)o2)cc1 ZINC000072242348 222219080 /nfs/dbraw/zinc/21/90/80/222219080.db2.gz XAPYWKAICHTQEN-MRXNPFEDSA-N 1 2 391.471 4.407 50 0 GIAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCOC(C)(C)C2)c(F)c1 ZINC000072438940 222260468 /nfs/dbraw/zinc/26/04/68/222260468.db2.gz JICLPJAIBHADJT-UHFFFAOYSA-N 1 2 395.478 4.298 50 0 GIAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCOC(C)(C)C2)c(F)c1 ZINC000072438940 222260470 /nfs/dbraw/zinc/26/04/70/222260470.db2.gz JICLPJAIBHADJT-UHFFFAOYSA-N 1 2 395.478 4.298 50 0 GIAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C1 ZINC000095499596 222334506 /nfs/dbraw/zinc/33/45/06/222334506.db2.gz HBDJXVAQTZRJTO-KRWDZBQOSA-N 1 2 376.504 4.283 50 0 GIAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C1 ZINC000095499595 222334614 /nfs/dbraw/zinc/33/46/14/222334614.db2.gz HBDJXVAQTZRJTO-QGZVFWFLSA-N 1 2 376.504 4.283 50 0 GIAALO COc1ccc([C@@H](CC(=O)NCc2c[nH+]cn2C2CC2)c2ccccc2)cc1 ZINC000095501696 222334736 /nfs/dbraw/zinc/33/47/36/222334736.db2.gz SQAOIJWMRPROSQ-QFIPXVFZSA-N 1 2 375.472 4.065 50 0 GIAALO O=C(c1ccc(F)cc1Cl)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095508792 222340133 /nfs/dbraw/zinc/34/01/33/222340133.db2.gz UBFLEOMDXDYDKD-UHFFFAOYSA-N 1 2 398.869 4.139 50 0 GIAALO O=C(c1ccc2ccccc2c1)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095523076 222347705 /nfs/dbraw/zinc/34/77/05/222347705.db2.gz ZNXHOGFIBRZESM-UHFFFAOYSA-N 1 2 396.494 4.499 50 0 GIAALO CN(CCCc1[nH+]ccn1C)C(=O)c1ccc2nc(C3CCCCC3)oc2c1 ZINC000095527893 222351460 /nfs/dbraw/zinc/35/14/60/222351460.db2.gz LDBKNMBHJKHQKH-UHFFFAOYSA-N 1 2 380.492 4.314 50 0 GIAALO C[N@H+](Cc1nc(-c2ccccc2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911340 570216259 /nfs/dbraw/zinc/21/62/59/570216259.db2.gz LSWCMYWBNXNRKN-WMZOPIPTSA-N 1 2 390.270 4.134 50 0 GIAALO C[N@@H+](Cc1nc(-c2ccccc2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000047911340 570216261 /nfs/dbraw/zinc/21/62/61/570216261.db2.gz LSWCMYWBNXNRKN-WMZOPIPTSA-N 1 2 390.270 4.134 50 0 GIAALO CCOc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000022626086 570222868 /nfs/dbraw/zinc/22/28/68/570222868.db2.gz NPJXTFGFFGMBLT-CXAGYDPISA-N 1 2 386.521 4.025 50 0 GIAALO CCOc1ccc([C@H](C2Sc3nc(C)nn3C2=O)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000022626086 570222872 /nfs/dbraw/zinc/22/28/72/570222872.db2.gz NPJXTFGFFGMBLT-CXAGYDPISA-N 1 2 386.521 4.025 50 0 GIAALO O=C(c1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000019841737 570224771 /nfs/dbraw/zinc/22/47/71/570224771.db2.gz GQUIINKTKQHHBW-UHFFFAOYSA-N 1 2 382.813 4.317 50 0 GIAALO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019841797 570224801 /nfs/dbraw/zinc/22/48/01/570224801.db2.gz SPXPEGNOCPIRBL-UHFFFAOYSA-N 1 2 388.486 4.302 50 0 GIAALO CCc1nc(C[NH2+]C2CCN(c3cccc(-c4cccc(F)c4)c3)CC2)no1 ZINC000019853625 570225710 /nfs/dbraw/zinc/22/57/10/570225710.db2.gz SEJJCMTWYXJPQF-UHFFFAOYSA-N 1 2 380.467 4.197 50 0 GIAALO O=C(CSCc1c(F)cccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020472397 570261043 /nfs/dbraw/zinc/26/10/43/570261043.db2.gz SHFVMDUAJIDKPX-UHFFFAOYSA-N 1 2 392.927 4.057 50 0 GIAALO COc1ccc(F)c(-c2nc(CN3CCCC[C@@H]3c3[nH+]ccn3C)c(C)o2)c1 ZINC000020540747 570266746 /nfs/dbraw/zinc/26/67/46/570266746.db2.gz JJMPFCIAGQILLM-LJQANCHMSA-N 1 2 384.455 4.258 50 0 GIAALO C[N@@H+](Cc1ccc(Br)cc1)Cn1nc(-c2ccccc2)[nH]c1=S ZINC000021189615 570288979 /nfs/dbraw/zinc/28/89/79/570288979.db2.gz FBABFCIDWPCDDA-UHFFFAOYSA-N 1 2 389.322 4.460 50 0 GIAALO C[N@H+](Cc1ccc(Br)cc1)Cn1nc(-c2ccccc2)[nH]c1=S ZINC000021189615 570288981 /nfs/dbraw/zinc/28/89/81/570288981.db2.gz FBABFCIDWPCDDA-UHFFFAOYSA-N 1 2 389.322 4.460 50 0 GIAALO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022914266 570334805 /nfs/dbraw/zinc/33/48/05/570334805.db2.gz DCEYLBVPRFMZNN-ZDUSSCGKSA-N 1 2 398.359 4.200 50 0 GIAALO Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3C(=O)c3ccccc3)CC2)c1 ZINC000024193262 570380335 /nfs/dbraw/zinc/38/03/35/570380335.db2.gz UKRIROLYBPPCBX-UHFFFAOYSA-N 1 2 398.506 4.184 50 0 GIAALO Cc1cccc(C(=O)Nc2ccc(Nc3cc(-n4cccn4)nc(C)[nH+]3)cc2)c1 ZINC000035597358 570400061 /nfs/dbraw/zinc/40/00/61/570400061.db2.gz CRHMIKOXUHGLPZ-UHFFFAOYSA-N 1 2 384.443 4.275 50 0 GIAALO Cc1cccc(CNC(=O)[C@H]2CCCN(c3[nH]c4ccc(Cl)cc4[nH+]3)C2)c1 ZINC000033071454 570401207 /nfs/dbraw/zinc/40/12/07/570401207.db2.gz ZNQZMOHODPVAIL-INIZCTEOSA-N 1 2 382.895 4.058 50 0 GIAALO Cc1ccccc1Nc1nc(N)nc(C[NH2+]C(c2ccccc2)c2ccccc2)n1 ZINC000025539475 570415788 /nfs/dbraw/zinc/41/57/88/570415788.db2.gz KSBYGDGSZJDGGD-UHFFFAOYSA-N 1 2 396.498 4.385 50 0 GIAALO Cc1[nH]c2cc(C)ccc2c1C(=O)C[N@@H+]1CCN(c2cccc(C)c2)[C@@H](C)C1 ZINC000035848221 570464954 /nfs/dbraw/zinc/46/49/54/570464954.db2.gz XEDKFRHHNXUWGV-SFHVURJKSA-N 1 2 375.516 4.487 50 0 GIAALO Cc1[nH]c2cc(C)ccc2c1C(=O)C[N@H+]1CCN(c2cccc(C)c2)[C@@H](C)C1 ZINC000035848221 570464960 /nfs/dbraw/zinc/46/49/60/570464960.db2.gz XEDKFRHHNXUWGV-SFHVURJKSA-N 1 2 375.516 4.487 50 0 GIAALO COc1ccc(OC)c(C[N@H+](Cc2nc(-c3cccc(C)c3)no2)C2CC2)c1 ZINC000029720907 570478730 /nfs/dbraw/zinc/47/87/30/570478730.db2.gz XIWCQVCPNDLDAK-UHFFFAOYSA-N 1 2 379.460 4.227 50 0 GIAALO COc1ccc(OC)c(C[N@@H+](Cc2nc(-c3cccc(C)c3)no2)C2CC2)c1 ZINC000029720907 570478734 /nfs/dbraw/zinc/47/87/34/570478734.db2.gz XIWCQVCPNDLDAK-UHFFFAOYSA-N 1 2 379.460 4.227 50 0 GIAALO C[N@@H+]1CCN(C(=O)CSCc2nc3ccccc3s2)[C@H](c2ccccc2)C1 ZINC000030029465 570485037 /nfs/dbraw/zinc/48/50/37/570485037.db2.gz WGKHTKAQCYVJNW-SFHVURJKSA-N 1 2 397.569 4.045 50 0 GIAALO C[N@H+]1CCN(C(=O)CSCc2nc3ccccc3s2)[C@H](c2ccccc2)C1 ZINC000030029465 570485040 /nfs/dbraw/zinc/48/50/40/570485040.db2.gz WGKHTKAQCYVJNW-SFHVURJKSA-N 1 2 397.569 4.045 50 0 GIAALO Cc1cc(C)n(CCc2[nH+]c3cc(NC(=O)Nc4ccccc4)ccc3n2C)n1 ZINC000006665024 570486658 /nfs/dbraw/zinc/48/66/58/570486658.db2.gz JRKHNIPMTAGPBU-UHFFFAOYSA-N 1 2 388.475 4.273 50 0 GIAALO O=c1c2ccccc2nc(C[NH+]2CCCCC2)n1-c1cccc(C(F)(F)F)c1 ZINC000003027557 570528740 /nfs/dbraw/zinc/52/87/40/570528740.db2.gz CSHDZKSKMLQKEL-UHFFFAOYSA-N 1 2 387.405 4.390 50 0 GIAALO Cc1ccc(C(=O)N(Cc2[nH+]ccn2Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000006689404 570532744 /nfs/dbraw/zinc/53/27/44/570532744.db2.gz JNULDSPDJKRZDI-UHFFFAOYSA-N 1 2 377.463 4.431 50 0 GIAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(CC)cc1)[N@@H+]1CCC[C@H](C)C1)S2 ZINC000036104747 570541703 /nfs/dbraw/zinc/54/17/03/570541703.db2.gz DJFLBCRAOWZTBJ-KBXCAEBGSA-N 1 2 384.549 4.443 50 0 GIAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(CC)cc1)[N@H+]1CCC[C@H](C)C1)S2 ZINC000036104747 570541706 /nfs/dbraw/zinc/54/17/06/570541706.db2.gz DJFLBCRAOWZTBJ-KBXCAEBGSA-N 1 2 384.549 4.443 50 0 GIAALO COc1cccc(N2CC[N@H+](CC(=O)c3c(C)[nH]c4cc(C)ccc43)C[C@@H]2C)c1 ZINC000036184035 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CCCc1ccc([C@H](C)NC(=O)C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000013323205 221265027 /nfs/dbraw/zinc/26/50/27/221265027.db2.gz AJWLCMDIVNSNNQ-NRFANRHFSA-N 1 2 393.575 4.255 50 0 GIAALO CC(C)Oc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000013322747 221265606 /nfs/dbraw/zinc/26/56/06/221265606.db2.gz KDUPPMPTCRNJTR-UHFFFAOYSA-N 1 2 387.911 4.477 50 0 GIAALO Cn1c(COc2ccc(Cl)cc2)nn(C[N@H+](C)Cc2ccccc2)c1=S ZINC000013071628 221260953 /nfs/dbraw/zinc/26/09/53/221260953.db2.gz LWUHWFFXIRUQSX-UHFFFAOYSA-N 1 2 388.924 4.273 50 0 GIAALO Cn1c(COc2ccc(Cl)cc2)nn(C[N@@H+](C)Cc2ccccc2)c1=S ZINC000013071628 221260958 /nfs/dbraw/zinc/26/09/58/221260958.db2.gz LWUHWFFXIRUQSX-UHFFFAOYSA-N 1 2 388.924 4.273 50 0 GIAALO C[C@H](NC(=S)Nc1ccc(Cl)cc1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000013865547 221292854 /nfs/dbraw/zinc/29/28/54/221292854.db2.gz CLGNJYBKBDTBQV-HNAYVOBHSA-N 1 2 389.952 4.088 50 0 GIAALO CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000014128620 221300021 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GIAALO COc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc(Cl)cc2)C3)cc1 ZINC000015778901 221344294 /nfs/dbraw/zinc/34/42/94/221344294.db2.gz PEOLOABGURTAAC-UHFFFAOYSA-N 1 2 380.879 4.441 50 0 GIAALO COc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccc(Cl)cc2)C3)cc1 ZINC000015778901 221344295 /nfs/dbraw/zinc/34/42/95/221344295.db2.gz PEOLOABGURTAAC-UHFFFAOYSA-N 1 2 380.879 4.441 50 0 GIAALO Cc1ccc2[nH]c(CCc3ccc(NS(=O)(=O)c4ccccc4)cc3)[nH+]c2c1 ZINC000015870685 221351212 /nfs/dbraw/zinc/35/12/12/221351212.db2.gz HPAPSLFHUYZWQT-UHFFFAOYSA-N 1 2 391.496 4.457 50 0 GIAALO COc1cccc(-c2nc(C[NH+]3CCN(c4ccccc4OC)CC3)cs2)c1 ZINC000057827896 136154112 /nfs/dbraw/zinc/15/41/12/136154112.db2.gz VBIDMKRTUQVMCS-UHFFFAOYSA-N 1 2 395.528 4.150 50 0 GIAALO Cc1ccc(NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)c(C)c1 ZINC000065245189 136161636 /nfs/dbraw/zinc/16/16/36/136161636.db2.gz HRAKCXHNRQQLJL-GOSISDBHSA-N 1 2 393.535 4.303 50 0 GIAALO Cc1ccc(NC(=O)CC[C@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)c(C)c1 ZINC000065245189 136161637 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CC(C)c1noc([C@@H](C)[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000066830893 222141311 /nfs/dbraw/zinc/14/13/11/222141311.db2.gz YBXJRGUMMKVYAL-CQSZACIVSA-N 1 2 391.903 4.147 50 0 GIAALO FC(F)(F)c1ccc(Oc2ccc(C[NH+]3CCOCC3)c3cccnc23)nc1 ZINC000067587574 222149947 /nfs/dbraw/zinc/14/99/47/222149947.db2.gz QHYRJXQMDBZDNZ-UHFFFAOYSA-N 1 2 389.377 4.273 50 0 GIAALO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@H+](Cc1cccnc1)C2 ZINC000067816967 222161808 /nfs/dbraw/zinc/16/18/08/222161808.db2.gz LJUHFKZRHIRXKS-UHFFFAOYSA-N 1 2 389.480 4.459 50 0 GIAALO Oc1cc(-c2nc3ccccc3s2)cc2c1OCC[N@@H+](Cc1cccnc1)C2 ZINC000067816967 222161810 /nfs/dbraw/zinc/16/18/10/222161810.db2.gz LJUHFKZRHIRXKS-UHFFFAOYSA-N 1 2 389.480 4.459 50 0 GIAALO CN(CCc1ccccn1)c1[nH+]cccc1CNc1ccc(C(F)(F)F)cn1 ZINC000067920509 222166848 /nfs/dbraw/zinc/16/68/48/222166848.db2.gz BQPZABSZMXLDPW-UHFFFAOYSA-N 1 2 387.409 4.181 50 0 GIAALO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)c1cc2ccccc2n1Cc1ccccc1 ZINC000071800104 222198583 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CC(C)c1nc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)no1 ZINC000095525715 222349897 /nfs/dbraw/zinc/34/98/97/222349897.db2.gz HCGOAJICNCKPTO-KRWDZBQOSA-N 1 2 394.475 4.304 50 0 GIAALO CC(C)c1nc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)no1 ZINC000095525715 222349902 /nfs/dbraw/zinc/34/99/02/222349902.db2.gz HCGOAJICNCKPTO-KRWDZBQOSA-N 1 2 394.475 4.304 50 0 GIAALO Cc1ccc(CCC2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)o3)CC2)cc1 ZINC000095956494 222363731 /nfs/dbraw/zinc/36/37/31/222363731.db2.gz YSVCESGFGMETIJ-UHFFFAOYSA-N 1 2 377.488 4.318 50 0 GIAALO CCC[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(F)c3F)c2C1 ZINC000096013473 222371835 /nfs/dbraw/zinc/37/18/35/222371835.db2.gz ZEAJBVMEGIOJSD-ZDUSSCGKSA-N 1 2 380.460 4.270 50 0 GIAALO CCC[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(F)c3F)c2C1 ZINC000096013473 222371837 /nfs/dbraw/zinc/37/18/37/222371837.db2.gz ZEAJBVMEGIOJSD-ZDUSSCGKSA-N 1 2 380.460 4.270 50 0 GIAALO CCc1[nH]c2ccc(NC(=O)N3CCC[C@H](c4nc(C(C)C)no4)C3)cc2[nH+]1 ZINC000096141883 222387638 /nfs/dbraw/zinc/38/76/38/222387638.db2.gz XCSLLBVLVIWVLU-ZDUSSCGKSA-N 1 2 382.468 4.043 50 0 GIAALO Cc1ccccc1[C@@]1(O)CCN(C(=O)Nc2ccc3[nH]c(C(C)C)[nH+]c3c2)C1 ZINC000096150103 222391091 /nfs/dbraw/zinc/39/10/91/222391091.db2.gz IMKRHNPTKFJTJL-JOCHJYFZSA-N 1 2 378.476 4.120 50 0 GIAALO O=C(Nc1cccc2c3c(oc21)CCCC3)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000096163111 222394072 /nfs/dbraw/zinc/39/40/72/222394072.db2.gz DOTYXGJMYHLIGU-INIZCTEOSA-N 1 2 378.476 4.452 50 0 GIAALO CCOc1cc(C[NH2+][C@H](C)c2nnc3n2CCC3)ccc1OCc1ccccc1 ZINC000040088635 517723010 /nfs/dbraw/zinc/72/30/10/517723010.db2.gz VWNSRSBNOLTVMI-QGZVFWFLSA-N 1 2 392.503 4.053 50 0 GIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccccc3C)C2)nc[nH+]1 ZINC000065242404 535192661 /nfs/dbraw/zinc/19/26/61/535192661.db2.gz OICBLEZWHHQMPZ-GOSISDBHSA-N 1 2 381.524 4.242 50 0 GIAALO CCCNc1cc(N2CCC[C@H](CCC(=O)Nc3ccccc3C)C2)[nH+]cn1 ZINC000065242404 535192671 /nfs/dbraw/zinc/19/26/71/535192671.db2.gz OICBLEZWHHQMPZ-GOSISDBHSA-N 1 2 381.524 4.242 50 0 GIAALO Cc1nnc([C@@H](C)Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)o1 ZINC000048186684 570220557 /nfs/dbraw/zinc/22/05/57/570220557.db2.gz IGYPNOJJQJNKAD-WDEREUQCSA-N 1 2 392.916 4.088 50 0 GIAALO CCn1c(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC)c3)C2)nc2ccccc21 ZINC000019840971 570224668 /nfs/dbraw/zinc/22/46/68/570224668.db2.gz ZJPOPLVTKZUKPQ-SFHVURJKSA-N 1 2 377.488 4.160 50 0 GIAALO CCn1c(C[N@H+]2CCC[C@H](C(=O)c3cccc(OC)c3)C2)nc2ccccc21 ZINC000019840971 570224670 /nfs/dbraw/zinc/22/46/70/570224670.db2.gz ZJPOPLVTKZUKPQ-SFHVURJKSA-N 1 2 377.488 4.160 50 0 GIAALO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000019841895 570225122 /nfs/dbraw/zinc/22/51/22/570225122.db2.gz OFHJEBHZDOGHPZ-UHFFFAOYSA-N 1 2 388.486 4.302 50 0 GIAALO COC(=O)[C@@H]1[NH2+][C@@H](c2ccccc2)[C@H](C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000019923675 570229711 /nfs/dbraw/zinc/22/97/11/570229711.db2.gz ZLTWMIIWDSCMMT-JLLPCOHGSA-N 1 2 399.490 4.464 50 0 GIAALO Cc1nonc1C[N@H+](C)Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 ZINC000020350909 570252599 /nfs/dbraw/zinc/25/25/99/570252599.db2.gz IHKYGDRSXSYNAS-UHFFFAOYSA-N 1 2 391.450 4.310 50 0 GIAALO Cc1nonc1C[N@@H+](C)Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 ZINC000020350909 570252602 /nfs/dbraw/zinc/25/26/02/570252602.db2.gz IHKYGDRSXSYNAS-UHFFFAOYSA-N 1 2 391.450 4.310 50 0 GIAALO CC(C)c1noc(C[NH+]2CCC3(C[C@H]3c3nnc(-c4ccccc4)o3)CC2)n1 ZINC000071889698 570271054 /nfs/dbraw/zinc/27/10/54/570271054.db2.gz XJYGZSFOGANCSG-INIZCTEOSA-N 1 2 379.464 4.013 50 0 GIAALO Fc1cccc(F)c1C[NH+]1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC000140404112 570273734 /nfs/dbraw/zinc/27/37/34/570273734.db2.gz QEOKBILUZZOAOO-UHFFFAOYSA-N 1 2 391.771 4.354 50 0 GIAALO Cc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C[N@H+](C(C)C)CC3 ZINC000006737130 570282901 /nfs/dbraw/zinc/28/29/01/570282901.db2.gz XYKYEXWKXVQOGI-UHFFFAOYSA-N 1 2 380.517 4.206 50 0 GIAALO Cc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C[N@@H+](C(C)C)CC3 ZINC000006737130 570282902 /nfs/dbraw/zinc/28/29/02/570282902.db2.gz XYKYEXWKXVQOGI-UHFFFAOYSA-N 1 2 380.517 4.206 50 0 GIAALO COc1c(Cl)cc(C(=O)N2CC[NH+](Cc3ccccc3F)CC2)cc1Cl ZINC000023442320 570323986 /nfs/dbraw/zinc/32/39/86/570323986.db2.gz GGHNOQOACADSIO-UHFFFAOYSA-N 1 2 397.277 4.099 50 0 GIAALO c1csc(CN2CC[NH+](Cc3c(-c4ccccc4)nc4ccccn43)CC2)c1 ZINC000022808948 570329615 /nfs/dbraw/zinc/32/96/15/570329615.db2.gz RFGJAAOBXMSIJG-UHFFFAOYSA-N 1 2 388.540 4.381 50 0 GIAALO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022912821 570333844 /nfs/dbraw/zinc/33/38/44/570333844.db2.gz VLMBGZJWMFVJBT-ZDUSSCGKSA-N 1 2 398.359 4.200 50 0 GIAALO CCCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCCc2ccccc2)C1 ZINC000034906630 570339510 /nfs/dbraw/zinc/33/95/10/570339510.db2.gz HHYZQNHZGGBGFT-FQEVSTJZSA-N 1 2 390.531 4.022 50 0 GIAALO COc1cccc([C@@H](NC(=O)/C=C/c2c(F)cccc2Cl)c2[nH+]ccn2C)c1 ZINC000024019388 570342208 /nfs/dbraw/zinc/34/22/08/570342208.db2.gz BNIMSYVTOUZXLX-SQUSKLHYSA-N 1 2 399.853 4.140 50 0 GIAALO O=C(NC1CCCCC1)c1ccc2c(c1)nc1n2CC[N@@H+](C2CCCCC2)C1 ZINC000023411570 570361809 /nfs/dbraw/zinc/36/18/09/570361809.db2.gz WMZZOJYVGJIAJC-UHFFFAOYSA-N 1 2 380.536 4.247 50 0 GIAALO O=C(NC1CCCCC1)c1ccc2c(c1)nc1n2CC[N@H+](C2CCCCC2)C1 ZINC000023411570 570361812 /nfs/dbraw/zinc/36/18/12/570361812.db2.gz WMZZOJYVGJIAJC-UHFFFAOYSA-N 1 2 380.536 4.247 50 0 GIAALO Cc1cccc2c1NC(=O)[C@]21[NH2+]C[C@H](c2cccs2)c2c3ccccc3[nH]c21 ZINC000023486661 570363651 /nfs/dbraw/zinc/36/36/51/570363651.db2.gz WZQNJUZWBFAWPF-CMJOXMDJSA-N 1 2 385.492 4.469 50 0 GIAALO Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCc3sccc3[C@H]2C2CC2)n1 ZINC000023907770 570375145 /nfs/dbraw/zinc/37/51/45/570375145.db2.gz RXNHCASHAFRPBD-LJQANCHMSA-N 1 2 392.532 4.077 50 0 GIAALO Cc1ccccc1Nc1nc(N)nc(C[N@H+]2CCc3sccc3[C@H]2C2CC2)n1 ZINC000023907770 570375151 /nfs/dbraw/zinc/37/51/51/570375151.db2.gz RXNHCASHAFRPBD-LJQANCHMSA-N 1 2 392.532 4.077 50 0 GIAALO O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000023956131 570375848 /nfs/dbraw/zinc/37/58/48/570375848.db2.gz QHJISPJKNXTKFA-XMMPIXPASA-N 1 2 396.494 4.309 50 0 GIAALO Clc1ccccc1C[N@@H+]1CCO[C@H](CSc2ncnc3sccc32)C1 ZINC000023989926 570376219 /nfs/dbraw/zinc/37/62/19/570376219.db2.gz DSIHCVZUAQJZBE-AWEZNQCLSA-N 1 2 391.949 4.338 50 0 GIAALO Clc1ccccc1C[N@H+]1CCO[C@H](CSc2ncnc3sccc32)C1 ZINC000023989926 570376222 /nfs/dbraw/zinc/37/62/22/570376222.db2.gz DSIHCVZUAQJZBE-AWEZNQCLSA-N 1 2 391.949 4.338 50 0 GIAALO Cc1nc2ccc(Cl)cc2cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000024177381 570379933 /nfs/dbraw/zinc/37/99/33/570379933.db2.gz JMKIIBUJAHYTCB-UHFFFAOYSA-N 1 2 379.891 4.155 50 0 GIAALO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000024767821 570392701 /nfs/dbraw/zinc/39/27/01/570392701.db2.gz KCWXRGUBKLTNLK-KRWDZBQOSA-N 1 2 389.484 4.244 50 0 GIAALO Cc1ccc2[nH]c(N3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)[nH+]c2c1 ZINC000033070757 570401226 /nfs/dbraw/zinc/40/12/26/570401226.db2.gz YSMZTYIVLRPONC-FQEVSTJZSA-N 1 2 388.515 4.282 50 0 GIAALO Cc1ccc2[nH+]c(N3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)[nH]c2c1 ZINC000033070757 570401227 /nfs/dbraw/zinc/40/12/27/570401227.db2.gz YSMZTYIVLRPONC-FQEVSTJZSA-N 1 2 388.515 4.282 50 0 GIAALO CC[N@@H+]1CCc2nc(NC(=O)c3ccccc3C(=O)c3ccccc3)sc2C1 ZINC000012983561 570408016 /nfs/dbraw/zinc/40/80/16/570408016.db2.gz IEFZLVSNZHYXED-UHFFFAOYSA-N 1 2 391.496 4.004 50 0 GIAALO CC[N@H+]1CCc2nc(NC(=O)c3ccccc3C(=O)c3ccccc3)sc2C1 ZINC000012983561 570408018 /nfs/dbraw/zinc/40/80/18/570408018.db2.gz IEFZLVSNZHYXED-UHFFFAOYSA-N 1 2 391.496 4.004 50 0 GIAALO Cc1ccc(-c2nc3ccccc3c(N3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000005093425 570415869 /nfs/dbraw/zinc/41/58/69/570415869.db2.gz SBZDBGWNSUWIBW-UHFFFAOYSA-N 1 2 381.483 4.327 50 0 GIAALO CC(C)N(C(=O)C[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(Nc2ccccc2)cc1 ZINC000025719278 570418596 /nfs/dbraw/zinc/41/85/96/570418596.db2.gz YSPZYKYNJOMJHT-OALUTQOASA-N 1 2 381.520 4.281 50 0 GIAALO C[C@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000026388949 570425416 /nfs/dbraw/zinc/42/54/16/570425416.db2.gz NHSOIKMRTBGUHZ-LBPRGKRZSA-N 1 2 390.274 4.135 50 0 GIAALO O=[N+]([O-])c1ccc(N[NH+]=Cc2cc([N+](=O)[O-])ccc2N2CCCCCC2)cc1 ZINC000252593817 570453518 /nfs/dbraw/zinc/45/35/18/570453518.db2.gz BMKFJHFOXHJFNA-UHFFFAOYSA-N 1 2 383.408 4.329 50 0 GIAALO COc1ccc2c(ccn2CC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000089467087 570454592 /nfs/dbraw/zinc/45/45/92/570454592.db2.gz LTHUQEZJLBMCGL-UHFFFAOYSA-N 1 2 398.466 4.204 50 0 GIAALO CCc1ccc2oc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)cc(=O)c2c1 ZINC000028289481 570455516 /nfs/dbraw/zinc/45/55/16/570455516.db2.gz QXEFHCPMZZMYPH-SFHVURJKSA-N 1 2 398.890 4.042 50 0 GIAALO COc1ccc(C[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C2CC2)cc1 ZINC000028720660 570463661 /nfs/dbraw/zinc/46/36/61/570463661.db2.gz FOPAAPKGRVMBMT-UHFFFAOYSA-N 1 2 375.428 4.255 50 0 GIAALO COc1ccc(C[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C2CC2)cc1 ZINC000028720660 570463664 /nfs/dbraw/zinc/46/36/64/570463664.db2.gz FOPAAPKGRVMBMT-UHFFFAOYSA-N 1 2 375.428 4.255 50 0 GIAALO Cn1c2ccc(NC(=O)c3cnn(-c4ccccc4F)c3)cc2[nH+]c1C1CC1 ZINC000132156510 570466479 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GIAALO Cc1ccc(-n2c[nH+]c3cc(NS(=O)(=O)c4ccc(C)cc4)ccc32)cc1 ZINC000000704134 212175467 /nfs/dbraw/zinc/17/54/67/212175467.db2.gz YHMYHRSDPTWJIG-UHFFFAOYSA-N 1 2 377.469 4.443 50 0 GIAALO CC(C)c1[nH+]c2cc(NC(=O)CC3(n4cccc4)CCOCC3)ccc2n1C ZINC000263587214 212140514 /nfs/dbraw/zinc/14/05/14/212140514.db2.gz DLWUSRWJUBUBOZ-UHFFFAOYSA-N 1 2 380.492 4.033 50 0 GIAALO O=C([C@H](c1ccccc1)[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCCC1 ZINC000229513255 212115840 /nfs/dbraw/zinc/11/58/40/212115840.db2.gz KVKFVCBFVPEJGQ-RTWAWAEBSA-N 1 2 384.907 4.077 50 0 GIAALO O=C([C@H](c1ccccc1)[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCCC1 ZINC000229513255 212115844 /nfs/dbraw/zinc/11/58/44/212115844.db2.gz KVKFVCBFVPEJGQ-RTWAWAEBSA-N 1 2 384.907 4.077 50 0 GIAALO Cc1ccc(C(=O)N(Cc2[nH+]ccn2Cc2cccc(F)c2)CC2CC2)cc1 ZINC000006723757 220953327 /nfs/dbraw/zinc/95/33/27/220953327.db2.gz JXXIKQXSYSJWOI-UHFFFAOYSA-N 1 2 377.463 4.431 50 0 GIAALO O=C(c1cccs1)N(CCCn1cc[nH+]c1)c1nc2c(cccc2F)s1 ZINC000007424487 220996074 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O=c1cc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3s2)nc2sccn21 ZINC000008004963 221023912 /nfs/dbraw/zinc/02/39/12/221023912.db2.gz TZHKDIPHAAHTDH-OAHLLOKOSA-N 1 2 382.514 4.093 50 0 GIAALO Cc1cccn2c(=O)cc(C[N@@H+]3CCCC[C@H]3c3nc4ccccc4s3)nc12 ZINC000008075979 221025734 /nfs/dbraw/zinc/02/57/34/221025734.db2.gz BSDMXFOWSAYKJZ-SFHVURJKSA-N 1 2 390.512 4.340 50 0 GIAALO Cc1cccn2c(=O)cc(C[N@H+]3CCCC[C@H]3c3nc4ccccc4s3)nc12 ZINC000008075979 221025739 /nfs/dbraw/zinc/02/57/39/221025739.db2.gz BSDMXFOWSAYKJZ-SFHVURJKSA-N 1 2 390.512 4.340 50 0 GIAALO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1F ZINC000008310431 221036344 /nfs/dbraw/zinc/03/63/44/221036344.db2.gz ILWKGFXXUBXKCC-IBGZPJMESA-N 1 2 384.451 4.071 50 0 GIAALO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1F ZINC000008310431 221036346 /nfs/dbraw/zinc/03/63/46/221036346.db2.gz ILWKGFXXUBXKCC-IBGZPJMESA-N 1 2 384.451 4.071 50 0 GIAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccc(F)cc1 ZINC000010656645 221106498 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O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000012434220 221192772 /nfs/dbraw/zinc/19/27/72/221192772.db2.gz IOJXLFCLAMUFEM-JOCHJYFZSA-N 1 2 397.482 4.228 50 0 GIAALO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000012434220 221192775 /nfs/dbraw/zinc/19/27/75/221192775.db2.gz IOJXLFCLAMUFEM-JOCHJYFZSA-N 1 2 397.482 4.228 50 0 GIAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1F ZINC000012507473 221200307 /nfs/dbraw/zinc/20/03/07/221200307.db2.gz BERXABRHOZGECR-SFHVURJKSA-N 1 2 392.261 4.314 50 0 GIAALO Cc1cc(OCC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)ccc1C(C)C ZINC000012550939 221204932 /nfs/dbraw/zinc/20/49/32/221204932.db2.gz KKZCCDVKIYASSX-QFIPXVFZSA-N 1 2 377.488 4.137 50 0 GIAALO COc1ccccc1C[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000012802845 221233707 /nfs/dbraw/zinc/23/37/07/221233707.db2.gz GCEYDXBFQQMARW-QHCPKHFHSA-N 1 2 394.540 4.403 50 0 GIAALO COc1ccccc1C[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000012802845 221233711 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COc1ccc(C[N@H+](C)Cn2nc3c(Cl)cc(Cl)cn3c2=S)cc1 ZINC000013072641 221260223 /nfs/dbraw/zinc/26/02/23/221260223.db2.gz UCSOZNRBAWZFIH-UHFFFAOYSA-N 1 2 383.304 4.270 50 0 GIAALO COc1ccc(C[N@@H+](C)Cn2nc3c(Cl)cc(Cl)cn3c2=S)cc1 ZINC000013072641 221260227 /nfs/dbraw/zinc/26/02/27/221260227.db2.gz UCSOZNRBAWZFIH-UHFFFAOYSA-N 1 2 383.304 4.270 50 0 GIAALO COc1ccc(C[NH2+][C@H]2c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000013943146 221293267 /nfs/dbraw/zinc/29/32/67/221293267.db2.gz ANMKPJUBWQMGHR-JOCHJYFZSA-N 1 2 376.431 4.279 50 0 GIAALO CSc1ncc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000014964609 221322129 /nfs/dbraw/zinc/32/21/29/221322129.db2.gz ISCSLMXSDLTHOR-HNNXBMFYSA-N 1 2 395.450 4.312 50 0 GIAALO CSc1ncc(C[N@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000014964609 221322132 /nfs/dbraw/zinc/32/21/32/221322132.db2.gz ISCSLMXSDLTHOR-HNNXBMFYSA-N 1 2 395.450 4.312 50 0 GIAALO CSc1nnc(C[N@H+](C)Cc2cc3ccccc3s2)n1C[C@H]1CCCO1 ZINC000014977565 221323193 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Cc1ccc2c(CC(=O)N[C@@H](c3[nH+]ccn3C)c3cccc(F)c3)coc2c1C ZINC000018236359 221391243 /nfs/dbraw/zinc/39/12/43/221391243.db2.gz UNPGAPFRJMHDSK-OAQYLSRUSA-N 1 2 391.446 4.371 50 0 GIAALO Cc1cc(N2CCC3(CC2)Nc2ccccc2NC3=O)[nH+]c2cc(F)ccc12 ZINC000082128194 136173867 /nfs/dbraw/zinc/17/38/67/136173867.db2.gz AMRIKRLGTWYVEW-UHFFFAOYSA-N 1 2 376.435 4.086 50 0 GIAALO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(-c2ccccc2F)s1 ZINC000155707515 136195843 /nfs/dbraw/zinc/19/58/43/136195843.db2.gz QYEMANAJTSFGJA-UHFFFAOYSA-N 1 2 397.475 4.347 50 0 GIAALO C[C@@H]1CC(C)(C)N(C(=O)C[NH+]2CCN(c3ccccc3)CC2)c2ccc(F)cc21 ZINC000169681433 136197371 /nfs/dbraw/zinc/19/73/71/136197371.db2.gz UTXWJSFIVUIWOJ-GOSISDBHSA-N 1 2 395.522 4.267 50 0 GIAALO Cc1ccccc1CCNC(=O)[C@@H]1CCCN(c2[nH]c3ccc(Cl)cc3[nH+]2)C1 ZINC000033071594 221770613 /nfs/dbraw/zinc/77/06/13/221770613.db2.gz CAFZMOHSQXGUFG-QGZVFWFLSA-N 1 2 396.922 4.100 50 0 GIAALO O=C(c1ccccc1)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000033106723 221771976 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383.517 4.425 50 0 GIAALO COc1ccc2cc([C@H](C)C(=O)N3CC[NH+](Cc4cccs4)CC3)ccc2c1 ZINC000012567336 221208208 /nfs/dbraw/zinc/20/82/08/221208208.db2.gz WFIOSUJODOMWGC-KRWDZBQOSA-N 1 2 394.540 4.358 50 0 GIAALO Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000012408692 221190103 /nfs/dbraw/zinc/19/01/03/221190103.db2.gz MYSCBKNZIAKIME-UHFFFAOYSA-N 1 2 398.919 4.129 50 0 GIAALO Cn1cc[nH+]c1[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1cccc(F)c1 ZINC000012627351 221215665 /nfs/dbraw/zinc/21/56/65/221215665.db2.gz TUROHKKXYQXNSP-RWENRRORSA-N 1 2 381.495 4.371 50 0 GIAALO C[N@@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)C[C@@H]1CCCCO1 ZINC000012710984 221219445 /nfs/dbraw/zinc/21/94/45/221219445.db2.gz ZYTQLAOCCVNNGR-FQEVSTJZSA-N 1 2 377.488 4.251 50 0 GIAALO C[N@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)C[C@@H]1CCCCO1 ZINC000012710984 221219447 /nfs/dbraw/zinc/21/94/47/221219447.db2.gz ZYTQLAOCCVNNGR-FQEVSTJZSA-N 1 2 377.488 4.251 50 0 GIAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1F ZINC000012733947 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50 0 GIAALO O=C(NCCc1c[nH]c[nH+]1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000013723882 221284028 /nfs/dbraw/zinc/28/40/28/221284028.db2.gz AYMFOAUQTLQSSG-UHFFFAOYSA-N 1 2 376.847 4.251 50 0 GIAALO COc1ccc(-c2nnc(C[NH2+][C@H](C)c3ccccc3Br)o2)cc1 ZINC000014023607 221296907 /nfs/dbraw/zinc/29/69/07/221296907.db2.gz KIODWLWNSFXHHC-GFCCVEGCSA-N 1 2 388.265 4.359 50 0 GIAALO O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000014159952 221301286 /nfs/dbraw/zinc/30/12/86/221301286.db2.gz LKONPLBJAYLPHR-UHFFFAOYSA-N 1 2 382.813 4.317 50 0 GIAALO O=C1CC2(CCCCC2)C(=O)N1C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000014189737 221303906 /nfs/dbraw/zinc/30/39/06/221303906.db2.gz QKRORHQLOBIBPV-MRXNPFEDSA-N 1 2 383.517 4.100 50 0 GIAALO O=C1CC2(CCCCC2)C(=O)N1C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000014189737 221303910 /nfs/dbraw/zinc/30/39/10/221303910.db2.gz QKRORHQLOBIBPV-MRXNPFEDSA-N 1 2 383.517 4.100 50 0 GIAALO CN(C)c1nc(Cl)c(C[N@@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)s1 ZINC000014955942 221321010 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GIAALO O=C1CC[C@]2(CCCN(c3[nH+]ccc4ccccc43)C2)CN1Cc1ccncc1 ZINC000091829329 136177267 /nfs/dbraw/zinc/17/72/67/136177267.db2.gz LHUDSTUPRYOXOF-DEOSSOPVSA-N 1 2 386.499 4.039 50 0 GIAALO O=C(/C=C\c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000096536727 136187283 /nfs/dbraw/zinc/18/72/83/136187283.db2.gz ZXWUGNOUQROOFZ-ALCCZGGFSA-N 1 2 395.812 4.116 50 0 GIAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)S2 ZINC000022853038 221571338 /nfs/dbraw/zinc/57/13/38/221571338.db2.gz NJVCXFZZUTZEGR-OAHLLOKOSA-N 1 2 376.913 4.288 50 0 GIAALO O=S1(=O)CC[C@H]([NH+](Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)C1 ZINC000032925317 221752272 /nfs/dbraw/zinc/75/22/72/221752272.db2.gz JXXLFCCPBUMENR-SFHVURJKSA-N 1 2 384.328 4.183 50 0 GIAALO CCC[N@H+](CC(=O)c1c[nH]c2c1cccc2CC)Cc1nnc(-c2ccco2)o1 ZINC000057373521 222031981 /nfs/dbraw/zinc/03/19/81/222031981.db2.gz UCDODVCGMURXJX-UHFFFAOYSA-N 1 2 392.459 4.468 50 0 GIAALO CCC[N@@H+](CC(=O)c1c[nH]c2c1cccc2CC)Cc1nnc(-c2ccco2)o1 ZINC000057373521 222031983 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Cc1ccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)cc1C ZINC000095496860 222332858 /nfs/dbraw/zinc/33/28/58/222332858.db2.gz BLRMBRMWRXONDO-FQEVSTJZSA-N 1 2 389.503 4.355 50 0 GIAALO COc1ccc([C@H](CC(=O)NCc2c[nH+]cn2C2CC2)c2ccccc2)cc1 ZINC000095501697 222334862 /nfs/dbraw/zinc/33/48/62/222334862.db2.gz SQAOIJWMRPROSQ-JOCHJYFZSA-N 1 2 375.472 4.065 50 0 GIAALO O=C(C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1)NCCc1ccc(OC(F)F)cc1 ZINC000078970714 222299398 /nfs/dbraw/zinc/29/93/98/222299398.db2.gz XXIOHKBFUBRULE-GOSISDBHSA-N 1 2 394.849 4.047 50 0 GIAALO O=C(C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1)NCCc1ccc(OC(F)F)cc1 ZINC000078970714 222299404 /nfs/dbraw/zinc/29/94/04/222299404.db2.gz XXIOHKBFUBRULE-GOSISDBHSA-N 1 2 394.849 4.047 50 0 GIAALO O=C(c1c(O)ccc2ccccc21)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082121206 222310175 /nfs/dbraw/zinc/31/01/75/222310175.db2.gz CIOFAHRHZVXQNB-SFHVURJKSA-N 1 2 375.472 4.172 50 0 GIAALO Cc1nnsc1C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2ccc(F)cc2)c1 ZINC000095526782 222350777 /nfs/dbraw/zinc/35/07/77/222350777.db2.gz YRYKMGFFNBERAG-IBGZPJMESA-N 1 2 396.491 4.256 50 0 GIAALO Cc1nnsc1C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2ccc(F)cc2)c1 ZINC000095526782 222350782 /nfs/dbraw/zinc/35/07/82/222350782.db2.gz YRYKMGFFNBERAG-IBGZPJMESA-N 1 2 396.491 4.256 50 0 GIAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCCC3CCCC3)csc2C1 ZINC000426415482 534360557 /nfs/dbraw/zinc/36/05/57/534360557.db2.gz PPAJDJSJEMDMLM-UHFFFAOYSA-N 1 2 387.549 4.221 50 0 GIAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCCC3CCCC3)csc2C1 ZINC000426415482 534360563 /nfs/dbraw/zinc/36/05/63/534360563.db2.gz PPAJDJSJEMDMLM-UHFFFAOYSA-N 1 2 387.549 4.221 50 0 GIAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCCCC(C)(C)C)csc2C1 ZINC000426399306 534361388 /nfs/dbraw/zinc/36/13/88/534361388.db2.gz YGEWWTWAMBTEFP-UHFFFAOYSA-N 1 2 389.565 4.467 50 0 GIAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCCCC(C)(C)C)csc2C1 ZINC000426399306 534361395 /nfs/dbraw/zinc/36/13/95/534361395.db2.gz YGEWWTWAMBTEFP-UHFFFAOYSA-N 1 2 389.565 4.467 50 0 GIAALO CCc1c(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cnn1-c1ccc(F)cc1 ZINC000025182232 523704594 /nfs/dbraw/zinc/70/45/94/523704594.db2.gz KNRXXVSQAPMZQG-UHFFFAOYSA-N 1 2 389.434 4.071 50 0 GIAALO O=C(Nc1ccc(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)s1)c1ccco1 ZINC000025176981 527162916 /nfs/dbraw/zinc/16/29/16/527162916.db2.gz ZLTMSIQOPYYACF-UHFFFAOYSA-N 1 2 392.440 4.091 50 0 GIAALO C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1Cl ZINC000047798610 570215489 /nfs/dbraw/zinc/21/54/89/570215489.db2.gz PHGBZPKBPAMNHL-CYBMUJFWSA-N 1 2 393.318 4.418 50 0 GIAALO Cc1ccc(C[N@H+]2CCN(Cc3cn(C(C)C)c4ccccc34)C[C@@H]2CCO)o1 ZINC000019838121 570224220 /nfs/dbraw/zinc/22/42/20/570224220.db2.gz MQSKLQJFIXUZJE-NRFANRHFSA-N 1 2 395.547 4.192 50 0 GIAALO Cc1ccc(C[N@@H+]2CCN(Cc3cn(C(C)C)c4ccccc34)C[C@@H]2CCO)o1 ZINC000019838121 570224221 /nfs/dbraw/zinc/22/42/21/570224221.db2.gz MQSKLQJFIXUZJE-NRFANRHFSA-N 1 2 395.547 4.192 50 0 GIAALO COc1ccc(-c2nc(C[N@@H+]3CCOc4ccccc4C3)c(C)o2)c(OC)c1 ZINC000019841756 570224731 /nfs/dbraw/zinc/22/47/31/570224731.db2.gz ICEJLKSXVHMRGP-UHFFFAOYSA-N 1 2 380.444 4.062 50 0 GIAALO COc1ccc(-c2nc(C[N@H+]3CCOc4ccccc4C3)c(C)o2)c(OC)c1 ZINC000019841756 570224732 /nfs/dbraw/zinc/22/47/32/570224732.db2.gz ICEJLKSXVHMRGP-UHFFFAOYSA-N 1 2 380.444 4.062 50 0 GIAALO COc1cccc(C[NH+]2CCN(Cc3ccccc3C(F)(F)F)CC2)c1OC ZINC000019841265 570224916 /nfs/dbraw/zinc/22/49/16/570224916.db2.gz GSVVZAPSTYEOEE-UHFFFAOYSA-N 1 2 394.437 4.040 50 0 GIAALO COc1cccc(CN2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1OC ZINC000019841265 570224919 /nfs/dbraw/zinc/22/49/19/570224919.db2.gz GSVVZAPSTYEOEE-UHFFFAOYSA-N 1 2 394.437 4.040 50 0 GIAALO CCCCn1c2ccccc2n(C[C@H](O)c2ccc(Br)cc2)c1=[NH2+] ZINC000019854816 570225817 /nfs/dbraw/zinc/22/58/17/570225817.db2.gz PKDWMCPOYGKOMG-SFHVURJKSA-N 1 2 388.309 4.218 50 0 GIAALO Cc1c(Cl)cccc1NC(=O)CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019851084 570225836 /nfs/dbraw/zinc/22/58/36/570225836.db2.gz YGEFSWSRRBZIBW-RMKNXTFCSA-N 1 2 397.950 4.308 50 0 GIAALO CC(C)Cc1ccc(C(=O)C2CC[NH+](Cn3c4ccccc4oc3=O)CC2)cc1 ZINC000048287991 570227931 /nfs/dbraw/zinc/22/79/31/570227931.db2.gz OOVIQVFDVGJOIM-UHFFFAOYSA-N 1 2 392.499 4.345 50 0 GIAALO CCCCCC(=O)N1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(C)cc2)CC1 ZINC000006050829 570228822 /nfs/dbraw/zinc/22/88/22/570228822.db2.gz LNFWFDHNCYEVIL-UHFFFAOYSA-N 1 2 394.563 4.222 50 0 GIAALO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000019952766 570233303 /nfs/dbraw/zinc/23/33/03/570233303.db2.gz JRNPCSWHBDESQA-SFHVURJKSA-N 1 2 377.488 4.445 50 0 GIAALO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000019952766 570233308 /nfs/dbraw/zinc/23/33/08/570233308.db2.gz JRNPCSWHBDESQA-SFHVURJKSA-N 1 2 377.488 4.445 50 0 GIAALO CCc1cccc(NC(=O)c2ccc([C@@H]3CCC[N@@H+]3Cc3cc(C)n[nH]3)s2)n1 ZINC000020167393 570245743 /nfs/dbraw/zinc/24/57/43/570245743.db2.gz CAARBCNPXQXORB-KRWDZBQOSA-N 1 2 395.532 4.326 50 0 GIAALO CCc1cccc(NC(=O)c2ccc([C@@H]3CCC[N@H+]3Cc3cc(C)n[nH]3)s2)n1 ZINC000020167393 570245744 /nfs/dbraw/zinc/24/57/44/570245744.db2.gz CAARBCNPXQXORB-KRWDZBQOSA-N 1 2 395.532 4.326 50 0 GIAALO Cc1cc(OCc2ccccc2)ccc1-c1ccc(C[NH+]2CCN(C)CC2)cn1 ZINC000097568834 570246557 /nfs/dbraw/zinc/24/65/57/570246557.db2.gz VONOHTSABIDTLJ-UHFFFAOYSA-N 1 2 387.527 4.383 50 0 GIAALO C[C@H]([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccccc1Cl ZINC000048367249 570246798 /nfs/dbraw/zinc/24/67/98/570246798.db2.gz FCLHNWNGKAPHLZ-NSHDSACASA-N 1 2 381.789 4.185 50 0 GIAALO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000048369248 570248522 /nfs/dbraw/zinc/24/85/22/570248522.db2.gz UAKQIJIHTQDTFQ-UHFFFAOYSA-N 1 2 384.483 4.003 50 0 GIAALO O=C(NCCC(c1ccccc1)c1ccccc1)NCc1cn2ccccc2[nH+]1 ZINC000024627792 570250709 /nfs/dbraw/zinc/25/07/09/570250709.db2.gz OOEXCGFYQLCJGZ-UHFFFAOYSA-N 1 2 384.483 4.356 50 0 GIAALO O=C(Nc1ccc(Cl)cc1F)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020457797 570259550 /nfs/dbraw/zinc/25/95/50/570259550.db2.gz QPTYCXLGKVBKRV-UHFFFAOYSA-N 1 2 382.266 4.482 50 0 GIAALO O=C(NC(c1ccccc1)c1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020567874 570268310 /nfs/dbraw/zinc/26/83/10/570268310.db2.gz LOHHXMVBHOWWAO-UHFFFAOYSA-N 1 2 386.495 4.038 50 0 GIAALO Cc1cc(C)c(CNC(=O)N(C/C=C/c2ccccc2)C[C@H]2CCCO2)c[nH+]1 ZINC000584901232 570270758 /nfs/dbraw/zinc/27/07/58/570270758.db2.gz DZFDBBRZXWNTAL-MOVYNIQHSA-N 1 2 379.504 4.102 50 0 GIAALO CCOC(=O)C1=C(c2ccccc2)[NH+]=C2Nc3ccccc3N2[C@@H]1c1ccccn1 ZINC000020726246 570277048 /nfs/dbraw/zinc/27/70/48/570277048.db2.gz XCGHBESQMSAZHG-JOCHJYFZSA-N 1 2 396.450 4.399 50 0 GIAALO C[N@H+](Cc1nc(COc2ccccc2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000020775714 570279992 /nfs/dbraw/zinc/27/99/92/570279992.db2.gz OQXSDIXWKDTRRM-UHFFFAOYSA-N 1 2 377.366 4.299 50 0 GIAALO C[N@@H+](Cc1nc(COc2ccccc2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000020775714 570279993 /nfs/dbraw/zinc/27/99/93/570279993.db2.gz OQXSDIXWKDTRRM-UHFFFAOYSA-N 1 2 377.366 4.299 50 0 GIAALO O=C(Cn1c2ccccc2[nH+]c1NCCCO)c1ccc(Cl)c(Cl)c1 ZINC000002945537 570319117 /nfs/dbraw/zinc/31/91/17/570319117.db2.gz JRFPUDBRMMPDEW-UHFFFAOYSA-N 1 2 378.259 4.020 50 0 GIAALO CSCc1cccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1 ZINC000022749887 570326010 /nfs/dbraw/zinc/32/60/10/570326010.db2.gz FYKQPTPSOFLYMO-GOSISDBHSA-N 1 2 385.920 4.456 50 0 GIAALO FC(F)(F)c1ccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)nc1 ZINC000023824688 570333234 /nfs/dbraw/zinc/33/32/34/570333234.db2.gz CVGLICCDTCHBKK-UHFFFAOYSA-N 1 2 378.423 4.032 50 0 GIAALO C[C@@H](C(=O)Nc1ccccc1Cl)N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000022916767 570335199 /nfs/dbraw/zinc/33/51/99/570335199.db2.gz BMMINVQYUHFCSL-ZDUSSCGKSA-N 1 2 398.359 4.200 50 0 GIAALO CCCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCCc2ccccc2)C1 ZINC000034906631 570339258 /nfs/dbraw/zinc/33/92/58/570339258.db2.gz HHYZQNHZGGBGFT-HXUWFJFHSA-N 1 2 390.531 4.022 50 0 GIAALO O=C(NC(c1ccccc1)c1ccccc1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575614086 570339505 /nfs/dbraw/zinc/33/95/05/570339505.db2.gz WLZCDEJYAYGUFC-JOCHJYFZSA-N 1 2 387.483 4.424 50 0 GIAALO Cc1ccc2[nH+]c(COC(=O)c3ccc(OCc4cscn4)cc3)cn2c1 ZINC000023038190 570340770 /nfs/dbraw/zinc/34/07/70/570340770.db2.gz AMXAKYXHHNMEIG-UHFFFAOYSA-N 1 2 379.441 4.035 50 0 GIAALO CNC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2c(F)ccc(OC)c2Cl)s1 ZINC000023192257 570349270 /nfs/dbraw/zinc/34/92/70/570349270.db2.gz BZOVSBLGWDMSEY-CYBMUJFWSA-N 1 2 382.888 4.246 50 0 GIAALO CNC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2c(F)ccc(OC)c2Cl)s1 ZINC000023192257 570349271 /nfs/dbraw/zinc/34/92/71/570349271.db2.gz BZOVSBLGWDMSEY-CYBMUJFWSA-N 1 2 382.888 4.246 50 0 GIAALO CCOC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2F)CC1 ZINC000004912352 570364815 /nfs/dbraw/zinc/36/48/15/570364815.db2.gz RMYURCACNPOUIE-UHFFFAOYSA-N 1 2 381.451 4.003 50 0 GIAALO CCOC(=O)c1c(-c2cccs2)csc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000004284162 570365464 /nfs/dbraw/zinc/36/54/64/570365464.db2.gz KFOSLEWJPVYFIB-UHFFFAOYSA-N 1 2 392.546 4.324 50 0 GIAALO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccccc1Br ZINC000023732166 570395803 /nfs/dbraw/zinc/39/58/03/570395803.db2.gz HFZFZFHLXTWEHN-JTQLQIEISA-N 1 2 392.684 4.190 50 0 GIAALO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1Cc1ccccc1 ZINC000025249139 570409242 /nfs/dbraw/zinc/40/92/42/570409242.db2.gz ZPEYLYVEYOCZLC-UHFFFAOYSA-N 1 2 384.439 4.119 50 0 GIAALO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000040131757 570409836 /nfs/dbraw/zinc/40/98/36/570409836.db2.gz QTLBSUXMZTWCSH-JBVUFVISSA-N 1 2 387.817 4.271 50 0 GIAALO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(=O)c2ccccc2o1 ZINC000028289085 570454989 /nfs/dbraw/zinc/45/49/89/570454989.db2.gz AFJDNOVGDRZSGQ-SFHVURJKSA-N 1 2 396.874 4.013 50 0 GIAALO Cc1c(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)sc2nc(C)cc(C)c12 ZINC000030030511 570485558 /nfs/dbraw/zinc/48/55/58/570485558.db2.gz DYIAKDXPSOSSMX-SFHVURJKSA-N 1 2 379.529 4.350 50 0 GIAALO Cc1c(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)sc2nc(C)cc(C)c12 ZINC000030030511 570485565 /nfs/dbraw/zinc/48/55/65/570485565.db2.gz DYIAKDXPSOSSMX-SFHVURJKSA-N 1 2 379.529 4.350 50 0 GIAALO 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Cc1nc(C)c(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)s1 ZINC000009614107 221087993 /nfs/dbraw/zinc/08/79/93/221087993.db2.gz IUZZYFKVDGJCJG-UHFFFAOYSA-N 1 2 384.530 4.027 50 0 GIAALO Cc1nc(C)c(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)s1 ZINC000009614107 221087995 /nfs/dbraw/zinc/08/79/95/221087995.db2.gz IUZZYFKVDGJCJG-UHFFFAOYSA-N 1 2 384.530 4.027 50 0 GIAALO COc1ccc(-n2cc(C[N@H+](C)Cc3cc[nH]n3)c(-c3cccc(F)c3)n2)cc1 ZINC000011817147 221127166 /nfs/dbraw/zinc/12/71/66/221127166.db2.gz BDBQXONQQDIFGP-UHFFFAOYSA-N 1 2 391.450 4.042 50 0 GIAALO COc1ccc(-n2cc(C[N@@H+](C)Cc3cc[nH]n3)c(-c3cccc(F)c3)n2)cc1 ZINC000011817147 221127167 /nfs/dbraw/zinc/12/71/67/221127167.db2.gz BDBQXONQQDIFGP-UHFFFAOYSA-N 1 2 391.450 4.042 50 0 GIAALO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1)Nc1nccs1 ZINC000011255586 221113451 /nfs/dbraw/zinc/11/34/51/221113451.db2.gz BEKJXJLSTDGGQP-UHFFFAOYSA-N 1 2 392.937 4.224 50 0 GIAALO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccoc1 ZINC000011938545 221140762 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CCCCCCn1c2ccccc2n(C[C@@H](O)COc2cccc(C)c2)c1=[NH2+] ZINC000020059817 221470826 /nfs/dbraw/zinc/47/08/26/221470826.db2.gz WJZWXNNJEAGCKQ-LJQANCHMSA-N 1 2 381.520 4.251 50 0 GIAALO C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000058161354 136154761 /nfs/dbraw/zinc/15/47/61/136154761.db2.gz UFQPDKQUPRAQLY-QGZVFWFLSA-N 1 2 377.463 4.128 50 0 GIAALO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000057331866 222029672 /nfs/dbraw/zinc/02/96/72/222029672.db2.gz ZYKGIYTVZNLIGU-HNNXBMFYSA-N 1 2 396.541 4.389 50 0 GIAALO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000057331866 222029674 /nfs/dbraw/zinc/02/96/74/222029674.db2.gz ZYKGIYTVZNLIGU-HNNXBMFYSA-N 1 2 396.541 4.389 50 0 GIAALO CC(C)c1nnc(C2CC[NH+](CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)o1 ZINC000049377172 221997624 /nfs/dbraw/zinc/99/76/24/221997624.db2.gz YFDUBMTZBILZOA-UHFFFAOYSA-N 1 2 396.413 4.030 50 0 GIAALO CSc1ncc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)cn1 ZINC000055576448 222022190 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Cc1ccc(NC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)cc1F ZINC000032953895 570434540 /nfs/dbraw/zinc/43/45/40/570434540.db2.gz WKSBYTCDYIMVGY-UHFFFAOYSA-N 1 2 394.450 4.471 50 0 GIAALO CCCc1noc([C@@H](C)Sc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)n1 ZINC000027815403 570443959 /nfs/dbraw/zinc/44/39/59/570443959.db2.gz ACNYBXBPJADPIU-LLVKDONJSA-N 1 2 384.440 4.143 50 0 GIAALO CCCOc1ccc(Cl)cc1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000176646635 570450979 /nfs/dbraw/zinc/45/09/79/570450979.db2.gz LGYXKJNHMXOIGN-UHFFFAOYSA-N 1 2 375.900 4.184 50 0 GIAALO Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)cc(=O)c2cc1C ZINC000028288415 570455074 /nfs/dbraw/zinc/45/50/74/570455074.db2.gz ZUZNQDUYMRGGKJ-SFHVURJKSA-N 1 2 398.890 4.096 50 0 GIAALO C[C@H]1CCc2[nH]c3c(cccc3C(=O)NCc3ccc(N4CCCC4)[nH+]c3)c2C1 ZINC000030634111 570493029 /nfs/dbraw/zinc/49/30/29/570493029.db2.gz SGYLALBUQPUHSL-INIZCTEOSA-N 1 2 388.515 4.218 50 0 GIAALO Cc1cc(C)n(CCc2[nH+]c3cc(NC(=O)c4cccc(C)c4)ccc3n2C)n1 ZINC000006665170 570526601 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COc1ccc(C[N@H+]2CCc3oc(C)c(C(=O)NC4CCCCC4)c3C2)cc1 ZINC000065289718 570785370 /nfs/dbraw/zinc/78/53/70/570785370.db2.gz PCRFCXMWAUDBIS-UHFFFAOYSA-N 1 2 382.504 4.217 50 0 GIAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)CSc3ccccc3)cc12 ZINC000033084511 570806167 /nfs/dbraw/zinc/80/61/67/570806167.db2.gz TYIKIGCVRRMOEF-UHFFFAOYSA-N 1 2 393.512 4.111 50 0 GIAALO COc1ccc2cc([C@@H](C)C(=O)NCc3ccc(N4CCCC4)[nH+]c3)ccc2c1 ZINC000032787189 570809555 /nfs/dbraw/zinc/80/95/55/570809555.db2.gz UNNOPRZASGZFTL-QGZVFWFLSA-N 1 2 389.499 4.264 50 0 GIAALO O=C(Nc1cccc(Cl)c1)C1CCN(c2ccc(-n3cccc3)c[nH+]2)CC1 ZINC000033106168 570810732 /nfs/dbraw/zinc/81/07/32/570810732.db2.gz GHISOMGNGRJBGU-UHFFFAOYSA-N 1 2 380.879 4.381 50 0 GIAALO COc1ccc(OC)c([C@H](C)NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000032862971 570861323 /nfs/dbraw/zinc/86/13/23/570861323.db2.gz NHBMUXITUAYFTN-HOTGVXAUSA-N 1 2 394.475 4.011 50 0 GIAALO OCc1cccc(NCc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)[nH+]1 ZINC000170607177 570864237 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C[N@@H+](Cc1nnc(-c2ccccc2)o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000105575457 570930204 /nfs/dbraw/zinc/93/02/04/570930204.db2.gz JFFREGRYHRWTIA-AEFFLSMTSA-N 1 2 390.270 4.134 50 0 GIAALO C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023180956 570943281 /nfs/dbraw/zinc/94/32/81/570943281.db2.gz JYYTXZFHEFCUAB-OXQOHEQNSA-N 1 2 386.561 4.237 50 0 GIAALO C[N@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000004527438 570972891 /nfs/dbraw/zinc/97/28/91/570972891.db2.gz FVZCDIIDECRAMW-IBGZPJMESA-N 1 2 396.890 4.324 50 0 GIAALO C[N@@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000004527438 570972892 /nfs/dbraw/zinc/97/28/92/570972892.db2.gz FVZCDIIDECRAMW-IBGZPJMESA-N 1 2 396.890 4.324 50 0 GIAALO CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(F)cc2)n2c3ccccc3[nH+]c2N1 ZINC000004786879 570989843 /nfs/dbraw/zinc/98/98/43/570989843.db2.gz FQHNVKNFUUMUFN-NRFANRHFSA-N 1 2 390.462 4.477 50 0 GIAALO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000045468761 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