smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1n[nH]c(C)c1CNC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426407477 231216422 /nfs/dbraw/zinc/21/64/22/231216422.db2.gz DDWWHAORAUYARH-UHFFFAOYSA-N 1 2 399.520 3.181 50 0 GGAALO Cc1n[nH]c(C)c1CNC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426407477 231216424 /nfs/dbraw/zinc/21/64/24/231216424.db2.gz DDWWHAORAUYARH-UHFFFAOYSA-N 1 2 399.520 3.181 50 0 GGAALO COC[C@@H]1CCCN1C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426419872 231217736 /nfs/dbraw/zinc/21/77/36/231217736.db2.gz ACAUBYWQHLSWRQ-HNNXBMFYSA-N 1 2 389.521 3.162 50 0 GGAALO COC[C@@H]1CCCN1C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426419872 231217739 /nfs/dbraw/zinc/21/77/39/231217739.db2.gz ACAUBYWQHLSWRQ-HNNXBMFYSA-N 1 2 389.521 3.162 50 0 GGAALO O=C(NCc1c[nH]nc1-c1ccccc1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000426434606 231220714 /nfs/dbraw/zinc/22/07/14/231220714.db2.gz XROKUQRGYKJSJL-IBGZPJMESA-N 1 2 378.480 3.428 50 0 GGAALO Cc1cnccc1-c1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000426376576 231209514 /nfs/dbraw/zinc/20/95/14/231209514.db2.gz VEGAGMSJICZTFC-OAQYLSRUSA-N 1 2 379.504 3.384 50 0 GGAALO Cc1[nH+]ccn1CC[C@@H](NC(=O)N1CCC(c2nnc[nH]2)CC1)c1ccccc1 ZINC000426477480 231224521 /nfs/dbraw/zinc/22/45/21/231224521.db2.gz YVBGSHOMZWVKHD-LJQANCHMSA-N 1 2 393.495 3.030 50 0 GGAALO Cc1[nH+]ccn1CC[C@@H](NC(=O)N1CCC(c2nc[nH]n2)CC1)c1ccccc1 ZINC000426477480 231224524 /nfs/dbraw/zinc/22/45/24/231224524.db2.gz YVBGSHOMZWVKHD-LJQANCHMSA-N 1 2 393.495 3.030 50 0 GGAALO COc1cccc(-n2cc(CNC(=O)c3ccccc3-c3[nH+]ccn3C)cn2)c1 ZINC000426477888 231226479 /nfs/dbraw/zinc/22/64/79/231226479.db2.gz JNAGUHMTDCGRGF-UHFFFAOYSA-N 1 2 387.443 3.211 50 0 GGAALO O=C(NCc1c[nH+]c2ccccn12)N1CCC([C@@H](O)CCc2ccccc2)CC1 ZINC000426658444 231249368 /nfs/dbraw/zinc/24/93/68/231249368.db2.gz OLAVOAAJEHOQBM-NRFANRHFSA-N 1 2 392.503 3.250 50 0 GGAALO Cn1cc[nH+]c1-c1cccc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)c1 ZINC000426668926 231250349 /nfs/dbraw/zinc/25/03/49/231250349.db2.gz AXZASNPCIHXLJL-FQEVSTJZSA-N 1 2 376.460 3.304 50 0 GGAALO Cc1cc(C(=O)N2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)c(C)o1 ZINC000426707398 231253670 /nfs/dbraw/zinc/25/36/70/231253670.db2.gz KCXXKNQYGQONCM-KRWDZBQOSA-N 1 2 385.512 3.031 50 0 GGAALO CC[C@@H](NC(=O)CCc1[nH]c2cc(C)c(C)cc2[nH+]1)c1cn2cccnc2n1 ZINC000426361473 529594406 /nfs/dbraw/zinc/59/44/06/529594406.db2.gz ZADSYLKIWKMBJE-OAHLLOKOSA-N 1 2 376.464 3.423 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC(CO)CC4)csc3C2)nc1 ZINC000426549202 529642889 /nfs/dbraw/zinc/64/28/89/529642889.db2.gz SGPYFRIXVAJJTM-UHFFFAOYSA-N 1 2 399.560 3.108 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC(CO)CC4)csc3C2)nc1 ZINC000426549202 529642894 /nfs/dbraw/zinc/64/28/94/529642894.db2.gz SGPYFRIXVAJJTM-UHFFFAOYSA-N 1 2 399.560 3.108 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCC4(CO)CCC4)csc3C2)nc1 ZINC000426401607 529643263 /nfs/dbraw/zinc/64/32/63/529643263.db2.gz DKQMWUQLQCNMPG-UHFFFAOYSA-N 1 2 399.560 3.156 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCC4(CO)CCC4)csc3C2)nc1 ZINC000426401607 529643266 /nfs/dbraw/zinc/64/32/66/529643266.db2.gz DKQMWUQLQCNMPG-UHFFFAOYSA-N 1 2 399.560 3.156 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCCC[C@H]4CO)csc3C2)nc1 ZINC000426473355 529643467 /nfs/dbraw/zinc/64/34/67/529643467.db2.gz CNCYECXMZQNGCJ-SFHVURJKSA-N 1 2 399.560 3.251 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCCC[C@H]4CO)csc3C2)nc1 ZINC000426473355 529643470 /nfs/dbraw/zinc/64/34/70/529643470.db2.gz CNCYECXMZQNGCJ-SFHVURJKSA-N 1 2 399.560 3.251 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCSCC4)csc3C2)nc1 ZINC000426523310 529643485 /nfs/dbraw/zinc/64/34/85/529643485.db2.gz BIPDKTQWTPSBBL-UHFFFAOYSA-N 1 2 387.574 3.453 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCSCC4)csc3C2)nc1 ZINC000426523310 529643486 /nfs/dbraw/zinc/64/34/86/529643486.db2.gz BIPDKTQWTPSBBL-UHFFFAOYSA-N 1 2 387.574 3.453 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CC[C@@H](OC)C4)csc3C2)nc1 ZINC000426376379 529643492 /nfs/dbraw/zinc/64/34/92/529643492.db2.gz NDWSZIXSJVBCRQ-QGZVFWFLSA-N 1 2 385.533 3.125 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CC[C@@H](OC)C4)csc3C2)nc1 ZINC000426376379 529643493 /nfs/dbraw/zinc/64/34/93/529643493.db2.gz NDWSZIXSJVBCRQ-QGZVFWFLSA-N 1 2 385.533 3.125 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC[C@@H]4CCCOC4)csc3C2)nc1 ZINC000426470548 529644188 /nfs/dbraw/zinc/64/41/88/529644188.db2.gz HBPVDLPIEJDTCQ-KRWDZBQOSA-N 1 2 399.560 3.420 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NC[C@@H]4CCCOC4)csc3C2)nc1 ZINC000426470548 529644189 /nfs/dbraw/zinc/64/41/89/529644189.db2.gz HBPVDLPIEJDTCQ-KRWDZBQOSA-N 1 2 399.560 3.420 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H](C)C(C)(C)O)csc3C2)nc1 ZINC000426740559 529644600 /nfs/dbraw/zinc/64/46/00/529644600.db2.gz OTDKMFWNRDSLOB-CQSZACIVSA-N 1 2 387.549 3.153 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H](C)C(C)(C)O)csc3C2)nc1 ZINC000426740559 529644601 /nfs/dbraw/zinc/64/46/01/529644601.db2.gz OTDKMFWNRDSLOB-CQSZACIVSA-N 1 2 387.549 3.153 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H](CO)C(C)C)csc3C2)nc1 ZINC000426489557 529644683 /nfs/dbraw/zinc/64/46/83/529644683.db2.gz NRICAVNZQXJYHI-LJQANCHMSA-N 1 2 387.549 3.011 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H](CO)C(C)C)csc3C2)nc1 ZINC000426489557 529644687 /nfs/dbraw/zinc/64/46/87/529644687.db2.gz NRICAVNZQXJYHI-LJQANCHMSA-N 1 2 387.549 3.011 50 0 GGAALO CCN(CC)C(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000004341664 204039371 /nfs/dbraw/zinc/03/93/71/204039371.db2.gz BPWMVEJASIRPHS-UHFFFAOYSA-N 1 2 375.885 3.429 50 0 GGAALO Brc1ccc(CSC2=[NH+]CN(Cc3cccnc3)CN2)cc1 ZINC000004347651 204040801 /nfs/dbraw/zinc/04/08/01/204040801.db2.gz QGARWQFYOMNBPJ-UHFFFAOYSA-N 1 2 377.311 3.454 50 0 GGAALO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CCCc3ccccc31)CC2 ZINC000003365725 204001690 /nfs/dbraw/zinc/00/16/90/204001690.db2.gz DOTQEBQZYFJYTB-HXUWFJFHSA-N 1 2 380.488 3.256 50 0 GGAALO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CCCc3ccccc31)CC2 ZINC000003365725 204001693 /nfs/dbraw/zinc/00/16/93/204001693.db2.gz DOTQEBQZYFJYTB-HXUWFJFHSA-N 1 2 380.488 3.256 50 0 GGAALO Cn1ncc2c1nc(N(CCO)Cc1ccccc1)[nH+]c2NC1CCCCC1 ZINC000004374930 204042623 /nfs/dbraw/zinc/04/26/23/204042623.db2.gz RFPDWJNBHMXBHE-UHFFFAOYSA-N 1 2 380.496 3.107 50 0 GGAALO O=C(Cc1ncc(C(F)(F)F)cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000004050769 204025542 /nfs/dbraw/zinc/02/55/42/204025542.db2.gz JNPBKTOFBRDOSC-UHFFFAOYSA-N 1 2 384.789 3.040 50 0 GGAALO CCOC(=O)[C@@H]1CCCN(c2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)C1 ZINC000004197373 204033352 /nfs/dbraw/zinc/03/33/52/204033352.db2.gz OJDGFWKGNPYEOX-CYBMUJFWSA-N 1 2 385.855 3.248 50 0 GGAALO O=C1CS[C@]2(c3ccccc3N(C[NH+]3CCCCC3)C2=O)N1c1ccccc1 ZINC000004281687 204035832 /nfs/dbraw/zinc/03/58/32/204035832.db2.gz XDLFCRMNNUPPHH-QFIPXVFZSA-N 1 2 393.512 3.409 50 0 GGAALO O=C(NCCCn1cc[nH+]c1)/C(=C\c1ccccc1Cl)NC(=O)c1ccco1 ZINC000004818071 204077731 /nfs/dbraw/zinc/07/77/31/204077731.db2.gz XMLMLKRCFBEMOJ-GHRIWEEISA-N 1 2 398.850 3.107 50 0 GGAALO COc1ccc2oc(=O)c(C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)cc2c1 ZINC000004626091 204057740 /nfs/dbraw/zinc/05/77/40/204057740.db2.gz XPKXLSJGZCEDAV-CQSZACIVSA-N 1 2 389.411 3.478 50 0 GGAALO COc1ccc2oc(=O)c(C(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)cc2c1 ZINC000004626090 204058566 /nfs/dbraw/zinc/05/85/66/204058566.db2.gz XPKXLSJGZCEDAV-AWEZNQCLSA-N 1 2 389.411 3.478 50 0 GGAALO CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCCCn3cc[nH+]c3)c12 ZINC000005207316 204118942 /nfs/dbraw/zinc/11/89/42/204118942.db2.gz YPIWGRNMWYVDHL-INIZCTEOSA-N 1 2 397.475 3.224 50 0 GGAALO Cc1ccc2[nH+]c(-c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)cn2c1 ZINC000006184440 204170390 /nfs/dbraw/zinc/17/03/90/204170390.db2.gz OAFASUYWAQNZNX-HZPDHXFCSA-N 1 2 385.489 3.108 50 0 GGAALO COc1ccccc1CN(C)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000005423350 204131905 /nfs/dbraw/zinc/13/19/05/204131905.db2.gz ZDEJYJKGUKRBRF-INIZCTEOSA-N 1 2 398.503 3.290 50 0 biogenic GGAALO COc1ccccc1CN(C)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000005423350 204131909 /nfs/dbraw/zinc/13/19/09/204131909.db2.gz ZDEJYJKGUKRBRF-INIZCTEOSA-N 1 2 398.503 3.290 50 0 biogenic GGAALO COc1ccccc1CN(C)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000005423348 204132212 /nfs/dbraw/zinc/13/22/12/204132212.db2.gz ZDEJYJKGUKRBRF-MRXNPFEDSA-N 1 2 398.503 3.290 50 0 biogenic GGAALO COc1ccccc1CN(C)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000005423348 204132217 /nfs/dbraw/zinc/13/22/17/204132217.db2.gz ZDEJYJKGUKRBRF-MRXNPFEDSA-N 1 2 398.503 3.290 50 0 biogenic GGAALO FC(F)C(F)(F)COCc1cccc(-c2[nH]n3cnc4nncc-4c3[nH+]2)c1 ZINC000006413951 204179052 /nfs/dbraw/zinc/17/90/52/204179052.db2.gz MMVVHNVTLVWLIB-UHFFFAOYSA-N 1 2 380.305 3.085 50 0 GGAALO c1sc(-c2ccc3c(c2)OCO3)nc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000006731026 204195617 /nfs/dbraw/zinc/19/56/17/204195617.db2.gz OMZCRTULAPZASA-UHFFFAOYSA-N 1 2 380.473 3.256 50 0 GGAALO COc1ccc(-c2nc(CC(=O)N3CCN(c4cccc[nH+]4)CC3)cs2)cc1 ZINC000007988215 204258529 /nfs/dbraw/zinc/25/85/29/204258529.db2.gz JRENLIJWOICIGF-UHFFFAOYSA-N 1 2 394.500 3.105 50 0 GGAALO CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000008562984 204279769 /nfs/dbraw/zinc/27/97/69/204279769.db2.gz WTWVYIHFEWZTOM-UHFFFAOYSA-N 1 2 381.476 3.114 50 0 GGAALO C[C@H](O)CNc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000008424893 204276947 /nfs/dbraw/zinc/27/69/47/204276947.db2.gz XHXBLNDZNUIVTN-MAUKXSAKSA-N 1 2 378.476 3.023 50 0 GGAALO Cc1[nH+]c2ccccc2n1Cc1nnc2sc(-c3cc(CC(C)C)[nH]n3)nn12 ZINC000009421227 204311341 /nfs/dbraw/zinc/31/13/41/204311341.db2.gz QVWYFZKXLWGINW-UHFFFAOYSA-N 1 2 392.492 3.481 50 0 GGAALO COc1ccc2c(C(=O)C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)c[nH]c2c1 ZINC000036369520 204321268 /nfs/dbraw/zinc/32/12/68/204321268.db2.gz RWVXLJIWYRVQPC-UHFFFAOYSA-N 1 2 380.444 3.435 50 0 biogenic GGAALO COc1ccc2c(C(=O)C[N@H+]3CCc4cc(OC)c(OC)cc4C3)c[nH]c2c1 ZINC000036369520 204321273 /nfs/dbraw/zinc/32/12/73/204321273.db2.gz RWVXLJIWYRVQPC-UHFFFAOYSA-N 1 2 380.444 3.435 50 0 biogenic GGAALO Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000036700263 204324510 /nfs/dbraw/zinc/32/45/10/204324510.db2.gz HUPJDXINTAHRPF-OAQYLSRUSA-N 1 2 388.533 3.045 50 0 GGAALO Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1C ZINC000036700263 204324512 /nfs/dbraw/zinc/32/45/12/204324512.db2.gz HUPJDXINTAHRPF-OAQYLSRUSA-N 1 2 388.533 3.045 50 0 GGAALO C[N@H+](Cc1cc(C(=O)NC[C@@H]2OCCc3ccccc32)no1)Cc1ccccc1 ZINC000011816480 204354264 /nfs/dbraw/zinc/35/42/64/204354264.db2.gz CTXCAGXGUSLQGL-QFIPXVFZSA-N 1 2 391.471 3.350 50 0 GGAALO C[N@@H+](Cc1cc(C(=O)NC[C@@H]2OCCc3ccccc32)no1)Cc1ccccc1 ZINC000011816480 204354268 /nfs/dbraw/zinc/35/42/68/204354268.db2.gz CTXCAGXGUSLQGL-QFIPXVFZSA-N 1 2 391.471 3.350 50 0 GGAALO O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccon2)CC1 ZINC000011838836 204355471 /nfs/dbraw/zinc/35/54/71/204355471.db2.gz PFFXOLIEEPJMBE-UHFFFAOYSA-N 1 2 395.463 3.116 50 0 GGAALO Cc1c[nH]c(CN(C)C(=O)c2cc(COc3cccc4cnccc43)on2)[nH+]1 ZINC000011935715 204362238 /nfs/dbraw/zinc/36/22/38/204362238.db2.gz GBLRBEILQIJSDJ-UHFFFAOYSA-N 1 2 377.404 3.106 50 0 GGAALO CC(C)n1cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)cn1 ZINC000012076855 204370439 /nfs/dbraw/zinc/37/04/39/204370439.db2.gz KLCRKXNLCKMVHX-HXUWFJFHSA-N 1 2 378.480 3.253 50 0 GGAALO CC(C)n1cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)cn1 ZINC000012076855 204370442 /nfs/dbraw/zinc/37/04/42/204370442.db2.gz KLCRKXNLCKMVHX-HXUWFJFHSA-N 1 2 378.480 3.253 50 0 GGAALO CCn1cc[nH+]c1CNC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 ZINC000012301609 204392073 /nfs/dbraw/zinc/39/20/73/204392073.db2.gz FGAGARXGNCHTLA-UHFFFAOYSA-N 1 2 394.353 3.419 50 0 GGAALO O=C(NCc1ccncc1)c1ccc(OC2CC[NH+](Cc3ccon3)CC2)cc1 ZINC000012308475 204392447 /nfs/dbraw/zinc/39/24/47/204392447.db2.gz NFSHJARECAHISH-UHFFFAOYSA-N 1 2 392.459 3.043 50 0 GGAALO CC[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCN(c2ccccc2OC)CC1 ZINC000012306668 204393495 /nfs/dbraw/zinc/39/34/95/204393495.db2.gz YIWWWBXNZQPIBQ-QGZVFWFLSA-N 1 2 397.523 3.015 50 0 GGAALO c1ccc(CO[C@@H]2CCC[N@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)nc1 ZINC000012315998 204396200 /nfs/dbraw/zinc/39/62/00/204396200.db2.gz AODCHYUWQUCSGS-QGZVFWFLSA-N 1 2 394.431 3.042 50 0 GGAALO c1ccc(CO[C@@H]2CCC[N@@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)nc1 ZINC000012315998 204396203 /nfs/dbraw/zinc/39/62/03/204396203.db2.gz AODCHYUWQUCSGS-QGZVFWFLSA-N 1 2 394.431 3.042 50 0 GGAALO CC(C)C[N@H+](C)Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1 ZINC000012317866 204396542 /nfs/dbraw/zinc/39/65/42/204396542.db2.gz MOFWTMCZEQPXJL-UHFFFAOYSA-N 1 2 377.554 3.396 50 0 GGAALO CC(C)C[N@@H+](C)Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1 ZINC000012317866 204396545 /nfs/dbraw/zinc/39/65/45/204396545.db2.gz MOFWTMCZEQPXJL-UHFFFAOYSA-N 1 2 377.554 3.396 50 0 GGAALO O=C(Cc1cnc(-c2ccccc2F)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012323537 204397351 /nfs/dbraw/zinc/39/73/51/204397351.db2.gz NTOVVGKEBQXDEA-UHFFFAOYSA-N 1 2 382.464 3.236 50 0 GGAALO O=S(=O)(Cc1c(F)cccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016577399 204595648 /nfs/dbraw/zinc/59/56/48/204595648.db2.gz ZGBHKPXWWRRIAD-UHFFFAOYSA-N 1 2 382.888 3.127 50 0 GGAALO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000019522884 204648581 /nfs/dbraw/zinc/64/85/81/204648581.db2.gz RPGNQXFTYNXAIP-UHFFFAOYSA-N 1 2 398.503 3.233 50 0 GGAALO Cc1cc(C)c2oc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc(=O)c2c1 ZINC000019897800 204691201 /nfs/dbraw/zinc/69/12/01/204691201.db2.gz LJDBIULOBGQIPR-UHFFFAOYSA-N 1 2 376.456 3.368 50 0 GGAALO Cc1nn2c(nc3c(c2NCC[NH+]2CCOCC2)CCCC3)c1-c1ccccc1 ZINC000020517467 204723496 /nfs/dbraw/zinc/72/34/96/204723496.db2.gz XMQCHSRAEXBLLI-UHFFFAOYSA-N 1 2 391.519 3.328 50 0 GGAALO O=C(Cn1ccc2ccc(Br)cc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000036366229 205015470 /nfs/dbraw/zinc/01/54/70/205015470.db2.gz PVXPDFXGQYPNGQ-UHFFFAOYSA-N 1 2 399.292 3.148 50 0 GGAALO Cc1noc2nc(C3CC3)cc(C(=O)N3CC[NH+](Cc4cccs4)CC3)c12 ZINC000036613847 205018062 /nfs/dbraw/zinc/01/80/62/205018062.db2.gz QJECYAWDAOQWOA-UHFFFAOYSA-N 1 2 382.489 3.428 50 0 GGAALO O=C(CSc1ccc(-n2cc[nH+]c2)nn1)Nc1ccc(OC(F)(F)F)cc1 ZINC000070688629 205025046 /nfs/dbraw/zinc/02/50/46/205025046.db2.gz YWWYCWYDKNBHJV-UHFFFAOYSA-N 1 2 395.366 3.292 50 0 GGAALO COc1ccc(Cl)cc1NC(=O)NCCNc1cc(-n2cccc2)nc[nH+]1 ZINC000077101393 205033884 /nfs/dbraw/zinc/03/38/84/205033884.db2.gz YSAOWGOAZIRRMF-UHFFFAOYSA-N 1 2 386.843 3.163 50 0 GGAALO Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c1 ZINC000038528630 205036960 /nfs/dbraw/zinc/03/69/60/205036960.db2.gz MGTYMSNKOSQNIY-UHFFFAOYSA-N 1 2 380.496 3.129 50 0 GGAALO Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c1 ZINC000038528630 205036964 /nfs/dbraw/zinc/03/69/64/205036964.db2.gz MGTYMSNKOSQNIY-UHFFFAOYSA-N 1 2 380.496 3.129 50 0 GGAALO O=C(CCCc1ccccc1)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528478 205037644 /nfs/dbraw/zinc/03/76/44/205037644.db2.gz DXHNIXSOBHBZOM-UHFFFAOYSA-N 1 2 393.535 3.138 50 0 GGAALO O=C(CCCc1ccccc1)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528478 205037649 /nfs/dbraw/zinc/03/76/49/205037649.db2.gz DXHNIXSOBHBZOM-UHFFFAOYSA-N 1 2 393.535 3.138 50 0 GGAALO COc1ccc(CN2CC[N@H+](Cc3ccccc3F)[C@H](CCO)C2)c(F)c1 ZINC000039430513 205042746 /nfs/dbraw/zinc/04/27/46/205042746.db2.gz FENNVGBAUPDPTH-GOSISDBHSA-N 1 2 376.447 3.042 50 0 GGAALO COc1ccc(CN2CC[N@@H+](Cc3ccccc3F)[C@H](CCO)C2)c(F)c1 ZINC000039430513 205042750 /nfs/dbraw/zinc/04/27/50/205042750.db2.gz FENNVGBAUPDPTH-GOSISDBHSA-N 1 2 376.447 3.042 50 0 GGAALO COc1ccc(C[N@@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)c(F)c1 ZINC000039430513 205042754 /nfs/dbraw/zinc/04/27/54/205042754.db2.gz FENNVGBAUPDPTH-GOSISDBHSA-N 1 2 376.447 3.042 50 0 GGAALO COc1ccc(C[N@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)c(F)c1 ZINC000039430513 205042758 /nfs/dbraw/zinc/04/27/58/205042758.db2.gz FENNVGBAUPDPTH-GOSISDBHSA-N 1 2 376.447 3.042 50 0 GGAALO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c(F)c1 ZINC000039442335 205043005 /nfs/dbraw/zinc/04/30/05/205043005.db2.gz XUIOXDSZMOCFEX-LJQANCHMSA-N 1 2 376.447 3.042 50 0 GGAALO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c(F)c1 ZINC000039442335 205043009 /nfs/dbraw/zinc/04/30/09/205043009.db2.gz XUIOXDSZMOCFEX-LJQANCHMSA-N 1 2 376.447 3.042 50 0 GGAALO CC[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856865 205087896 /nfs/dbraw/zinc/08/78/96/205087896.db2.gz XRTLWLAOGQXQQM-FQEVSTJZSA-N 1 2 398.503 3.417 50 0 GGAALO COc1ccc(-c2noc(-c3ccc(N(C)Cc4[nH]cc(C)[nH+]4)nc3)n2)cc1 ZINC000046128998 205104467 /nfs/dbraw/zinc/10/44/67/205104467.db2.gz SQJDKVZNDYPSJL-UHFFFAOYSA-N 1 2 376.420 3.475 50 0 GGAALO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCN(C)C(=O)[C@@H]2C)c1 ZINC000055053295 205141201 /nfs/dbraw/zinc/14/12/01/205141201.db2.gz XBTFTTZVZDYQMV-KRWDZBQOSA-N 1 2 390.487 3.210 50 0 GGAALO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCN(C)C(=O)[C@@H]2C)c1 ZINC000055053295 205141206 /nfs/dbraw/zinc/14/12/06/205141206.db2.gz XBTFTTZVZDYQMV-KRWDZBQOSA-N 1 2 390.487 3.210 50 0 GGAALO S=C(Nc1ccc2c(c1)OCCO2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055057229 205141717 /nfs/dbraw/zinc/14/17/17/205141717.db2.gz QQRKVAJZZANPHO-QPJJXVBHSA-N 1 2 395.528 3.486 50 0 GGAALO Cc1cc(=O)oc2cc(NC(=S)N3CC[NH+](Cc4ccco4)CC3)ccc12 ZINC000055056223 205141772 /nfs/dbraw/zinc/14/17/72/205141772.db2.gz OXAYXCBAOGKVIC-UHFFFAOYSA-N 1 2 383.473 3.209 50 0 GGAALO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000055168028 205143633 /nfs/dbraw/zinc/14/36/33/205143633.db2.gz HVRSVDKLKLCFMP-AWEZNQCLSA-N 1 2 375.469 3.441 50 0 GGAALO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000055168028 205143636 /nfs/dbraw/zinc/14/36/36/205143636.db2.gz HVRSVDKLKLCFMP-AWEZNQCLSA-N 1 2 375.469 3.441 50 0 GGAALO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000055168025 205143945 /nfs/dbraw/zinc/14/39/45/205143945.db2.gz HVRSVDKLKLCFMP-CQSZACIVSA-N 1 2 375.469 3.441 50 0 GGAALO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000055168025 205143947 /nfs/dbraw/zinc/14/39/47/205143947.db2.gz HVRSVDKLKLCFMP-CQSZACIVSA-N 1 2 375.469 3.441 50 0 GGAALO CC1(C)CC(NC(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2cccs2)CC(C)(C)C1 ZINC000055576342 205149280 /nfs/dbraw/zinc/14/92/80/205149280.db2.gz BBIGAWIGEVTXKJ-KRWDZBQOSA-N 1 2 391.581 3.160 50 0 GGAALO CC1(C)CC(NC(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2cccs2)CC(C)(C)C1 ZINC000055576342 205149285 /nfs/dbraw/zinc/14/92/85/205149285.db2.gz BBIGAWIGEVTXKJ-KRWDZBQOSA-N 1 2 391.581 3.160 50 0 GGAALO Cc1cccc(-c2ncc(C[N@H+](CCN3CCOCC3)Cc3ccco3)cn2)c1 ZINC000055412983 205149632 /nfs/dbraw/zinc/14/96/32/205149632.db2.gz NGTZYOWOCLXUFD-UHFFFAOYSA-N 1 2 392.503 3.379 50 0 GGAALO Cc1cccc(-c2ncc(C[N@@H+](CCN3CCOCC3)Cc3ccco3)cn2)c1 ZINC000055412983 205149636 /nfs/dbraw/zinc/14/96/36/205149636.db2.gz NGTZYOWOCLXUFD-UHFFFAOYSA-N 1 2 392.503 3.379 50 0 GGAALO Cc1cccc(-c2ncc(CN(CC[NH+]3CCOCC3)Cc3ccco3)cn2)c1 ZINC000055412983 205149638 /nfs/dbraw/zinc/14/96/38/205149638.db2.gz NGTZYOWOCLXUFD-UHFFFAOYSA-N 1 2 392.503 3.379 50 0 GGAALO COC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000057415027 205156493 /nfs/dbraw/zinc/15/64/93/205156493.db2.gz CZXCTNPFQULKSD-IBGZPJMESA-N 1 2 399.878 3.253 50 0 GGAALO COC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000057415027 205156496 /nfs/dbraw/zinc/15/64/96/205156496.db2.gz CZXCTNPFQULKSD-IBGZPJMESA-N 1 2 399.878 3.253 50 0 GGAALO O=C(C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)cc1Cl ZINC000085875183 205130319 /nfs/dbraw/zinc/13/03/19/205130319.db2.gz CDXCCFHMOSTCAV-OLZOCXBDSA-N 1 2 377.271 3.457 50 0 biogenic GGAALO O=C(C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(Cl)cc1Cl ZINC000085875183 205130321 /nfs/dbraw/zinc/13/03/21/205130321.db2.gz CDXCCFHMOSTCAV-OLZOCXBDSA-N 1 2 377.271 3.457 50 0 biogenic GGAALO COc1cc(C[NH+]2CCN(C(=O)Nc3cccc(C)c3)CC2)cc(OC)c1OC ZINC000059916429 205179655 /nfs/dbraw/zinc/17/96/55/205179655.db2.gz CPSJDKLTWDOYGW-UHFFFAOYSA-N 1 2 399.491 3.371 50 0 GGAALO COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1C[N@H+]2Cc1ccc2nccnc2c1 ZINC000064066614 205188513 /nfs/dbraw/zinc/18/85/13/205188513.db2.gz HALKQZBJAUKEKE-KXBFYZLASA-N 1 2 394.862 3.282 50 0 GGAALO COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc2nccnc2c1 ZINC000064066614 205188517 /nfs/dbraw/zinc/18/85/17/205188517.db2.gz HALKQZBJAUKEKE-KXBFYZLASA-N 1 2 394.862 3.282 50 0 GGAALO O=C(Cn1c[nH+]c2cc3c(cc21)OCCO3)Nc1ccc(Br)cc1 ZINC000064794722 205194914 /nfs/dbraw/zinc/19/49/14/205194914.db2.gz VDMLZKMVYSUZLU-UHFFFAOYSA-N 1 2 388.221 3.209 50 0 GGAALO Cc1cccc(-n2nc(CCc3ccccc3)nc2C[NH+]2CCC(O)CC2)c1 ZINC000065376164 205231581 /nfs/dbraw/zinc/23/15/81/205231581.db2.gz DCTIYNRYMGACOL-UHFFFAOYSA-N 1 2 376.504 3.318 50 0 GGAALO CCn1nc(C)c(NC(=O)C[N@H+](C)Cc2cnn(-c3cccc(C)c3)c2)c1C ZINC000065507705 205236043 /nfs/dbraw/zinc/23/60/43/205236043.db2.gz NAKWGVWFWVEOCI-UHFFFAOYSA-N 1 2 380.496 3.084 50 0 GGAALO CCn1nc(C)c(NC(=O)C[N@@H+](C)Cc2cnn(-c3cccc(C)c3)c2)c1C ZINC000065507705 205236048 /nfs/dbraw/zinc/23/60/48/205236048.db2.gz NAKWGVWFWVEOCI-UHFFFAOYSA-N 1 2 380.496 3.084 50 0 GGAALO CN(Cc1csc(-c2cccs2)n1)C(=O)c1cc2n(n1)CCC[N@H+](C)C2 ZINC000065535350 205237406 /nfs/dbraw/zinc/23/74/06/205237406.db2.gz LSDQSOLJWIFWSY-UHFFFAOYSA-N 1 2 387.534 3.176 50 0 GGAALO CN(Cc1csc(-c2cccs2)n1)C(=O)c1cc2n(n1)CCC[N@@H+](C)C2 ZINC000065535350 205237411 /nfs/dbraw/zinc/23/74/11/205237411.db2.gz LSDQSOLJWIFWSY-UHFFFAOYSA-N 1 2 387.534 3.176 50 0 GGAALO Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000067207139 205242185 /nfs/dbraw/zinc/24/21/85/205242185.db2.gz SCXDYEMIRCLHSY-UHFFFAOYSA-N 1 2 380.897 3.281 50 0 GGAALO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000067286522 205243551 /nfs/dbraw/zinc/24/35/51/205243551.db2.gz PDTJSKHTWIPDTB-HXUWFJFHSA-N 1 2 385.508 3.152 50 0 GGAALO COc1cccc(-c2cc3c(N4CCN(c5cccc[nH+]5)CC4)nccn3n2)c1 ZINC000067284915 205244542 /nfs/dbraw/zinc/24/45/42/205244542.db2.gz WFYFTAVLPYPSFX-UHFFFAOYSA-N 1 2 386.459 3.127 50 0 GGAALO CC(=O)N[C@H](C)Cc1c2ccccc2[nH]c1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067673330 205252169 /nfs/dbraw/zinc/25/21/69/205252169.db2.gz SSVDSSSQHFDUPQ-CYBMUJFWSA-N 1 2 379.464 3.020 50 0 GGAALO Cc1ccsc1-c1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c(C)o1 ZINC000067673160 205252205 /nfs/dbraw/zinc/25/22/05/205252205.db2.gz PVOQBWSJRKXABK-KRWDZBQOSA-N 1 2 389.521 3.233 50 0 GGAALO Cc1ccsc1-c1nc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c(C)o1 ZINC000067673160 205252207 /nfs/dbraw/zinc/25/22/07/205252207.db2.gz PVOQBWSJRKXABK-KRWDZBQOSA-N 1 2 389.521 3.233 50 0 GGAALO CN(Cc1[nH+]ccn1C)Cc1cccc(C(=O)Nc2ccc3c(c2)CCC3=O)c1 ZINC000067673558 205254565 /nfs/dbraw/zinc/25/45/65/205254565.db2.gz URFIJVWGANFODW-UHFFFAOYSA-N 1 2 388.471 3.433 50 0 GGAALO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](C)Cc3nc(-c4cccnc4)no3)cc2c1 ZINC000067726910 205257235 /nfs/dbraw/zinc/25/72/35/205257235.db2.gz JVKWUEMRXCVNJI-UHFFFAOYSA-N 1 2 375.432 3.222 50 0 GGAALO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](C)Cc3nc(-c4cccnc4)no3)cc2c1 ZINC000067726910 205257239 /nfs/dbraw/zinc/25/72/39/205257239.db2.gz JVKWUEMRXCVNJI-UHFFFAOYSA-N 1 2 375.432 3.222 50 0 GGAALO Cc1n[nH]c(C)c1C[N@@H+]1CCOc2c(O)cc(-c3nc(C)cnc3C)cc2C1 ZINC000067754573 205258063 /nfs/dbraw/zinc/25/80/63/205258063.db2.gz YNYXKGDNSWJSQQ-UHFFFAOYSA-N 1 2 379.464 3.201 50 0 GGAALO Cc1n[nH]c(C)c1C[N@H+]1CCOc2c(O)cc(-c3nc(C)cnc3C)cc2C1 ZINC000067754573 205258067 /nfs/dbraw/zinc/25/80/67/205258067.db2.gz YNYXKGDNSWJSQQ-UHFFFAOYSA-N 1 2 379.464 3.201 50 0 GGAALO C[C@H](C(=O)N(C)C)[N@@H+]1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067756105 205259002 /nfs/dbraw/zinc/25/90/02/205259002.db2.gz UWRFJHCIVJVACW-QGZVFWFLSA-N 1 2 388.515 3.425 50 0 GGAALO C[C@H](C(=O)N(C)C)[N@H+]1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067756105 205259006 /nfs/dbraw/zinc/25/90/06/205259006.db2.gz UWRFJHCIVJVACW-QGZVFWFLSA-N 1 2 388.515 3.425 50 0 GGAALO C[C@H](C(=O)N(C)C)[N@@H+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067756105 205259009 /nfs/dbraw/zinc/25/90/09/205259009.db2.gz UWRFJHCIVJVACW-QGZVFWFLSA-N 1 2 388.515 3.425 50 0 GGAALO 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O=C(NCc1cc2n(n1)CCC[N@H+](Cc1ccc(Cl)s1)C2)C1CCC1 ZINC000082096961 205386475 /nfs/dbraw/zinc/38/64/75/205386475.db2.gz AFMLSWPCCUMMEG-UHFFFAOYSA-N 1 2 378.929 3.420 50 0 GGAALO CCc1ncc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)cn1 ZINC000082120932 205387638 /nfs/dbraw/zinc/38/76/38/205387638.db2.gz SZECVJCXMDVZSG-GOSISDBHSA-N 1 2 375.476 3.304 50 0 GGAALO Clc1cc2c(cc1-c1[nH+]ccn1CCc1noc([C@@H]3CCCO3)n1)OCO2 ZINC000082114931 205388494 /nfs/dbraw/zinc/38/84/94/205388494.db2.gz ZKNMGGOOBASCNU-ZDUSSCGKSA-N 1 2 388.811 3.409 50 0 GGAALO O=C(c1cc(=O)[nH]c2ccccc21)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082157041 205389716 /nfs/dbraw/zinc/38/97/16/205389716.db2.gz QZMGDBSVMJMZPV-UHFFFAOYSA-N 1 2 376.460 3.154 50 0 GGAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CC[C@H](Cc2cccc(CO)c2)C1 ZINC000095376850 205448623 /nfs/dbraw/zinc/44/86/23/205448623.db2.gz YUTCBYUWMPRTLI-LJQANCHMSA-N 1 2 375.472 3.134 50 0 GGAALO O=C1CC2(CN1CCCc1ccccc1)CC[NH+](Cc1noc(C3CC3)n1)CC2 ZINC000095499012 205472536 /nfs/dbraw/zinc/47/25/36/205472536.db2.gz JFDQIVNMIXWFHR-UHFFFAOYSA-N 1 2 394.519 3.394 50 0 GGAALO O=C(COc1ccccc1)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095502751 205474516 /nfs/dbraw/zinc/47/45/16/205474516.db2.gz IWXXWQTZWXJBMY-SFHVURJKSA-N 1 2 376.460 3.111 50 0 GGAALO CCn1cc[nH+]c1C1CCN(C(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000095530056 205493724 /nfs/dbraw/zinc/49/37/24/205493724.db2.gz XEHLAVIEADCLQY-INIZCTEOSA-N 1 2 381.398 3.361 50 0 GGAALO CCc1[nH]nc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c1C ZINC000095517002 205483821 /nfs/dbraw/zinc/48/38/21/205483821.db2.gz WIKBGECXGZJDHQ-CQSZACIVSA-N 1 2 384.509 3.002 50 0 GGAALO CC1(C(=O)N2CCC(c3nnc(Cn4cc[nH+]c4)n3C3CC3)CC2)CCCC1 ZINC000096164428 205538171 /nfs/dbraw/zinc/53/81/71/205538171.db2.gz AWBUBFQIJGQBOH-UHFFFAOYSA-N 1 2 382.512 3.144 50 0 GGAALO CCOC(=O)C(C=Nc1ccc(NC2=[NH+]CC(C)(C)S2)cc1)C(=O)OCC ZINC000100688026 205804654 /nfs/dbraw/zinc/80/46/54/205804654.db2.gz SQAHNXJEYGFFPV-UHFFFAOYSA-N 1 2 391.493 3.402 50 0 GGAALO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223624186 206003386 /nfs/dbraw/zinc/00/33/86/206003386.db2.gz DOKYOMVVYWJSGO-UHFFFAOYSA-N 1 2 377.444 3.251 50 0 GGAALO Cc1cc(C)n(Cc2cccc(C(=O)N3CCC(Cn4cc[nH+]c4)CC3)c2)n1 ZINC000223742221 206006263 /nfs/dbraw/zinc/00/62/63/206006263.db2.gz GNQXNRJWSOHNBP-UHFFFAOYSA-N 1 2 377.492 3.297 50 0 GGAALO COc1c2c(c(NC(=O)c3ccc4ncccc4c3)c3c1C[N@H+](C)CC3)OCO2 ZINC000032123809 206089099 /nfs/dbraw/zinc/08/90/99/206089099.db2.gz WGBDPBLHKUWDIW-UHFFFAOYSA-N 1 2 391.427 3.212 50 0 biogenic GGAALO COc1c2c(c(NC(=O)c3ccc4ncccc4c3)c3c1C[N@@H+](C)CC3)OCO2 ZINC000032123809 206089104 /nfs/dbraw/zinc/08/91/04/206089104.db2.gz WGBDPBLHKUWDIW-UHFFFAOYSA-N 1 2 391.427 3.212 50 0 biogenic GGAALO Cc1nc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4ccncc4)no3)C2)sc1C ZINC000062022932 206103894 /nfs/dbraw/zinc/10/38/94/206103894.db2.gz JSZWQFQTIAIRMR-OAHLLOKOSA-N 1 2 398.492 3.056 50 0 GGAALO Cc1nc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4ccncc4)no3)C2)sc1C ZINC000062022932 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/nfs/dbraw/zinc/14/33/92/206143392.db2.gz IRWFSUUXFRVEMY-ZVDOUQERSA-N 1 2 389.455 3.254 50 0 GGAALO O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000252536490 206144427 /nfs/dbraw/zinc/14/44/27/206144427.db2.gz IRWFSUUXFRVEMY-SVFBPWRDSA-N 1 2 389.455 3.254 50 0 GGAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1C[C@H](Nc2ncc(Cl)cc2Cl)C1 ZINC000244794606 206131742 /nfs/dbraw/zinc/13/17/42/206131742.db2.gz QQAZWQVEPMIRTD-UMSPYCQHSA-N 1 2 378.267 3.120 50 0 GGAALO Cc1nc(-c2cccc(C(=O)N3CCCC[C@H]3CCn3cc[nH+]c3)c2)nn1C ZINC000299762911 206186055 /nfs/dbraw/zinc/18/60/55/206186055.db2.gz DHHZIRGSWYSDBJ-IBGZPJMESA-N 1 2 378.480 3.072 50 0 GGAALO O[C@@H](c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)OCO3)CCO2)c1ccccn1 ZINC000299759825 206187139 /nfs/dbraw/zinc/18/71/39/206187139.db2.gz NOYFSDKHJZFGPR-QHCPKHFHSA-N 1 2 390.439 3.287 50 0 GGAALO O[C@@H](c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)OCO3)CCO2)c1ccccn1 ZINC000299759825 206187142 /nfs/dbraw/zinc/18/71/42/206187142.db2.gz NOYFSDKHJZFGPR-QHCPKHFHSA-N 1 2 390.439 3.287 50 0 GGAALO C[C@@H](Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)on1)c1ccccc1 ZINC000299775102 206187895 /nfs/dbraw/zinc/18/78/95/206187895.db2.gz GTRHKEYOWDRPJR-KRWDZBQOSA-N 1 2 376.460 3.378 50 0 GGAALO O=C(C[N@@H+]1CCOc2ccccc2C1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000299778047 206188664 /nfs/dbraw/zinc/18/86/64/206188664.db2.gz RGTDMPPNZNRSDU-LJQANCHMSA-N 1 2 376.460 3.121 50 0 GGAALO O=C(C[N@H+]1CCOc2ccccc2C1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000299778047 206188667 /nfs/dbraw/zinc/18/86/67/206188667.db2.gz RGTDMPPNZNRSDU-LJQANCHMSA-N 1 2 376.460 3.121 50 0 GGAALO Cc1cc(N2CCn3nc(CNC(=O)C4CCC4)cc3C2)[nH+]c2ccccc12 ZINC000299779110 206190814 /nfs/dbraw/zinc/19/08/14/206190814.db2.gz PVSXPZMMTNZMLN-UHFFFAOYSA-N 1 2 375.476 3.176 50 0 GGAALO COC(=O)[C@@H]1C[C@H](NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC000299789058 206190978 /nfs/dbraw/zinc/19/09/78/206190978.db2.gz YPTRWNDNHIKKTJ-YOEHRIQHSA-N 1 2 392.377 3.006 50 0 GGAALO O=C(NC1CCN(c2ccc(F)cc2)CC1)c1cnc(C[NH+]2CCCC2)s1 ZINC000299790690 206191369 /nfs/dbraw/zinc/19/13/69/206191369.db2.gz VKVFYBDWILMZJZ-UHFFFAOYSA-N 1 2 388.512 3.277 50 0 GGAALO O=C(N[C@H](c1ccccc1)c1ccncc1)C1([NH+]2CCOCC2)CCCCC1 ZINC000299794495 206192208 /nfs/dbraw/zinc/19/22/08/206192208.db2.gz KCRJJOAEVUJYDZ-OAQYLSRUSA-N 1 2 379.504 3.322 50 0 GGAALO C[C@H](CNC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCN(C)CC1 ZINC000299791337 206192372 /nfs/dbraw/zinc/19/23/72/206192372.db2.gz DCYRBLLYKXPRJQ-LLVKDONJSA-N 1 2 378.826 3.116 50 0 GGAALO O=C(C[NH+]1CCSCC1)N1N=C(c2cccs2)C[C@H]1c1ccc(O)cc1 ZINC000045067865 206195645 /nfs/dbraw/zinc/19/56/45/206195645.db2.gz GHQRJSQQPJJJHN-KRWDZBQOSA-N 1 2 387.530 3.180 50 0 GGAALO CO[C@H]1CCCN(C(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)C1 ZINC000426635757 533233645 /nfs/dbraw/zinc/23/36/45/533233645.db2.gz YVHIBWHSCCVTOJ-HNNXBMFYSA-N 1 2 389.521 3.162 50 0 GGAALO CO[C@H]1CCCN(C(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)C1 ZINC000426635757 533233654 /nfs/dbraw/zinc/23/36/54/533233654.db2.gz YVHIBWHSCCVTOJ-HNNXBMFYSA-N 1 2 389.521 3.162 50 0 GGAALO O=C(CCCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1ccc2[nH]ccc2c1 ZINC000040284943 132402728 /nfs/dbraw/zinc/40/27/28/132402728.db2.gz GIYBRXXYBZFXLE-UHFFFAOYSA-N 1 2 391.475 3.021 50 0 GGAALO Cc1ccc(Cl)cc1N1CC[NH+](CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000055087897 132443495 /nfs/dbraw/zinc/44/34/95/132443495.db2.gz GFWMBIORYIANMJ-UHFFFAOYSA-N 1 2 387.867 3.138 50 0 GGAALO CCc1cnc(C)nc1N1CC[NH+](Cc2cc(Cl)c(O)c(OC)c2)CC1 ZINC000065424167 136163923 /nfs/dbraw/zinc/16/39/23/136163923.db2.gz ZPMAPYXTYZLOPD-UHFFFAOYSA-N 1 2 376.888 3.037 50 0 GGAALO COc1c(C)cc(C(=O)[C@@H]2CCCN(c3[nH+]c(C)ccc3C(N)=O)C2)cc1C ZINC000071738459 136165934 /nfs/dbraw/zinc/16/59/34/136165934.db2.gz VBKSGHRZFHNDPD-MRXNPFEDSA-N 1 2 381.476 3.214 50 0 GGAALO COc1ccccc1N1CC[N@H+](Cc2cnc(-c3ccccn3)nc2)[C@H](C)C1 ZINC000072153114 136167056 /nfs/dbraw/zinc/16/70/56/136167056.db2.gz KJTPYHGOLOOKJY-QGZVFWFLSA-N 1 2 375.476 3.258 50 0 GGAALO COc1ccccc1N1CC[N@@H+](Cc2cnc(-c3ccccn3)nc2)[C@H](C)C1 ZINC000072153114 136167057 /nfs/dbraw/zinc/16/70/57/136167057.db2.gz KJTPYHGOLOOKJY-QGZVFWFLSA-N 1 2 375.476 3.258 50 0 GGAALO CCc1cnc(C)nc1N1CCC[C@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 ZINC000072153122 136167118 /nfs/dbraw/zinc/16/71/18/136167118.db2.gz FEXXZNHRGIUMGA-FQEVSTJZSA-N 1 2 395.551 3.147 50 0 GGAALO CCc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c1 ZINC000072437056 136170209 /nfs/dbraw/zinc/17/02/09/136170209.db2.gz SXNSHJUFFDJIFA-UHFFFAOYSA-N 1 2 394.523 3.383 50 0 GGAALO CCc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c1 ZINC000072437056 136170210 /nfs/dbraw/zinc/17/02/10/136170210.db2.gz SXNSHJUFFDJIFA-UHFFFAOYSA-N 1 2 394.523 3.383 50 0 GGAALO COc1ccc(C[N@@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cc1C(=O)[O-] ZINC000072463808 136171123 /nfs/dbraw/zinc/17/11/23/136171123.db2.gz YZPLYOUMBBLCGB-UHFFFAOYSA-N 1 2 381.476 3.423 50 0 GGAALO COc1ccc(C[N@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cc1C(=O)[O-] ZINC000072463808 136171124 /nfs/dbraw/zinc/17/11/24/136171124.db2.gz YZPLYOUMBBLCGB-UHFFFAOYSA-N 1 2 381.476 3.423 50 0 GGAALO COc1ccccc1N1CCN(C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)[C@@H](C)C1 ZINC000072479784 136171227 /nfs/dbraw/zinc/17/12/27/136171227.db2.gz FSALNKWMAWLLGZ-INIZCTEOSA-N 1 2 376.460 3.436 50 0 GGAALO COc1cccc(N2CC[N@H+](Cc3ccc(CCC(C)(C)O)cc3)CC2=O)c1 ZINC000072481520 136171481 /nfs/dbraw/zinc/17/14/81/136171481.db2.gz IOOBKQNRDIBDBK-UHFFFAOYSA-N 1 2 382.504 3.248 50 0 GGAALO COc1cccc(N2CC[N@@H+](Cc3ccc(CCC(C)(C)O)cc3)CC2=O)c1 ZINC000072481520 136171482 /nfs/dbraw/zinc/17/14/82/136171482.db2.gz IOOBKQNRDIBDBK-UHFFFAOYSA-N 1 2 382.504 3.248 50 0 GGAALO O=C(c1cccc2ccccc21)N1CCN(c2cc(-n3cccc3)nc[nH+]2)CC1 ZINC000077101392 136171664 /nfs/dbraw/zinc/17/16/64/136171664.db2.gz HIQVNBJTIRQEQM-UHFFFAOYSA-N 1 2 383.455 3.383 50 0 GGAALO CCc1ccc(C(=O)Nc2cnc(N3CCN(c4cccc[nH+]4)CC3)nc2)cc1 ZINC000077196645 136171814 /nfs/dbraw/zinc/17/18/14/136171814.db2.gz UBSCMSBPMBYCJK-UHFFFAOYSA-N 1 2 388.475 3.013 50 0 GGAALO Cc1ccc(NC(=O)N2CCN(c3cc(-n4cccc4)nc[nH+]3)CC2)c(C)c1 ZINC000090607869 136176062 /nfs/dbraw/zinc/17/60/62/136176062.db2.gz SSEBMXBOIDSSSX-UHFFFAOYSA-N 1 2 376.464 3.238 50 0 GGAALO O=C(Nc1cccc(Cl)c1)N1CCN(c2cc(-n3cccc3)nc[nH+]2)CC1 ZINC000090607865 136176149 /nfs/dbraw/zinc/17/61/49/136176149.db2.gz KDCVOZJEIKPWCF-UHFFFAOYSA-N 1 2 382.855 3.275 50 0 GGAALO CCc1c[nH+]c(C)nc1N1CCC[C@@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000091724826 136176975 /nfs/dbraw/zinc/17/69/75/136176975.db2.gz RLQKFAZLBRXXFK-JOCHJYFZSA-N 1 2 379.508 3.152 50 0 GGAALO O=C(NC1CCCC1)c1cccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000095479990 136179580 /nfs/dbraw/zinc/17/95/80/136179580.db2.gz VIUZDWYJFBURIL-UHFFFAOYSA-N 1 2 393.491 3.108 50 0 GGAALO Cc1ccc(C(=O)[O-])c(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)[nH+]1 ZINC000095515211 136180985 /nfs/dbraw/zinc/18/09/85/136180985.db2.gz AXORCUSRBFSZCH-KRWDZBQOSA-N 1 2 377.448 3.112 50 0 GGAALO CCn1c(C[NH+](C)C)nnc1C1CCN(c2nccc(C3CCCC3)n2)CC1 ZINC000096130772 136184129 /nfs/dbraw/zinc/18/41/29/136184129.db2.gz MCVPEPBWMQTDGP-UHFFFAOYSA-N 1 2 383.544 3.191 50 0 GGAALO Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)NCc2ccoc2)CC1 ZINC000426689016 533793393 /nfs/dbraw/zinc/79/33/93/533793393.db2.gz ASZBHEQMQDHIGQ-UHFFFAOYSA-N 1 2 377.872 3.148 50 0 GGAALO Cc1ccc(-c2cccc(C(=O)N3CCC4(CCC(=O)NC4)CC3)c2)c(C)[nH+]1 ZINC000426442496 534187658 /nfs/dbraw/zinc/18/76/58/534187658.db2.gz GHMKCJROAQQCGL-UHFFFAOYSA-N 1 2 377.488 3.498 50 0 GGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)csc2C1 ZINC000426500118 534361689 /nfs/dbraw/zinc/36/16/89/534361689.db2.gz MVUMRKKUCPRHGC-BETUJISGSA-N 1 2 389.521 3.161 50 0 GGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)csc2C1 ZINC000426500118 534361706 /nfs/dbraw/zinc/36/17/06/534361706.db2.gz MVUMRKKUCPRHGC-BETUJISGSA-N 1 2 389.521 3.161 50 0 GGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)C[C@@H]3CCCO3)csc2C1 ZINC000426359053 534359182 /nfs/dbraw/zinc/35/91/82/534359182.db2.gz MTTIBUBLYRAENL-HNNXBMFYSA-N 1 2 389.521 3.162 50 0 GGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)C[C@@H]3CCCO3)csc2C1 ZINC000426359053 534359186 /nfs/dbraw/zinc/35/91/86/534359186.db2.gz MTTIBUBLYRAENL-HNNXBMFYSA-N 1 2 389.521 3.162 50 0 GGAALO FC(F)(F)c1ccc(C[N@@H+]2CCn3nc(CNc4ncccn4)cc3C2)cc1 ZINC000426465091 534419279 /nfs/dbraw/zinc/41/92/79/534419279.db2.gz FJYWNUJOFMYLJS-UHFFFAOYSA-N 1 2 388.397 3.320 50 0 GGAALO FC(F)(F)c1ccc(C[N@H+]2CCn3nc(CNc4ncccn4)cc3C2)cc1 ZINC000426465091 534419287 /nfs/dbraw/zinc/41/92/87/534419287.db2.gz FJYWNUJOFMYLJS-UHFFFAOYSA-N 1 2 388.397 3.320 50 0 GGAALO O=C(NCc1ccccc1-n1cccn1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000426380670 534680014 /nfs/dbraw/zinc/68/00/14/534680014.db2.gz QQDKOZXIIGWWBC-LJQANCHMSA-N 1 2 378.480 3.223 50 0 GGAALO CC(=O)c1ccccc1-c1ccc(C(=O)N(C)C[C@H](C)[NH+]2CCOCC2)cc1 ZINC000426412847 527390431 /nfs/dbraw/zinc/39/04/31/527390431.db2.gz YOFKLJUZPDPMQT-KRWDZBQOSA-N 1 2 380.488 3.349 50 0 GGAALO CC(=O)c1ccccc1-c1ccc(C(=O)N(C)C[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000426412848 527391176 /nfs/dbraw/zinc/39/11/76/527391176.db2.gz YOFKLJUZPDPMQT-QGZVFWFLSA-N 1 2 380.488 3.349 50 0 GGAALO CC(C)Cc1nc(CN(C)C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)no1 ZINC000426490048 528667485 /nfs/dbraw/zinc/66/74/85/528667485.db2.gz CITCVXLRBATOLT-KRWDZBQOSA-N 1 2 382.468 3.048 50 0 GGAALO CCCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)N1CCC2(COC(=O)O2)CC1 ZINC000426407488 528758704 /nfs/dbraw/zinc/75/87/04/528758704.db2.gz FUPQIUHWJRWKCX-INIZCTEOSA-N 1 2 385.464 3.468 50 0 GGAALO CCC[C@@H](O)c1ccc(-c2cccc(C(=O)NCC[NH+]3CCOCC3)c2)cc1 ZINC000426711123 529078469 /nfs/dbraw/zinc/07/84/69/529078469.db2.gz BTFAEVCWHVGZTI-JOCHJYFZSA-N 1 2 382.504 3.249 50 0 GGAALO CC[C@H]1COCCN1C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426719774 529308481 /nfs/dbraw/zinc/30/84/81/529308481.db2.gz BQRHCSVZAYAGJT-HNNXBMFYSA-N 1 2 389.521 3.162 50 0 GGAALO CC[C@H]1COCCN1C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426719774 529308482 /nfs/dbraw/zinc/30/84/82/529308482.db2.gz BQRHCSVZAYAGJT-HNNXBMFYSA-N 1 2 389.521 3.162 50 0 GGAALO CCCc1nc(-n2cccc2)sc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000094992983 535467321 /nfs/dbraw/zinc/46/73/21/535467321.db2.gz SYTZDSBGSFHKOZ-UHFFFAOYSA-N 1 2 381.505 3.244 50 0 GGAALO CCc1cccc(NC(=O)C[NH+]2CCN(c3ncnc4sccc43)CC2)c1 ZINC000127550979 535897668 /nfs/dbraw/zinc/89/76/68/535897668.db2.gz XAWPDZOGZCJVIX-UHFFFAOYSA-N 1 2 381.505 3.014 50 0 GGAALO CCc1cc(N2CCC(N3CC(Oc4ccccc4OC)C3)CC2)nc(C)[nH+]1 ZINC000096163291 536144133 /nfs/dbraw/zinc/14/41/33/536144133.db2.gz XQWINWQPZDBCES-UHFFFAOYSA-N 1 2 382.508 3.088 50 0 GGAALO CCN(CC)C(=O)CSc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000004341708 564201940 /nfs/dbraw/zinc/20/19/40/564201940.db2.gz JVVOIBOPPMEXGW-UHFFFAOYSA-N 1 2 375.885 3.429 50 0 GGAALO Cc1cc(C)c(C)c(S(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)c1C ZINC000017077484 564296902 /nfs/dbraw/zinc/29/69/02/564296902.db2.gz MGMUGONTLPBVRI-UHFFFAOYSA-N 1 2 378.563 3.488 50 0 GGAALO Brc1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019361448 564303602 /nfs/dbraw/zinc/30/36/02/564303602.db2.gz CWMPQMJUWBXPIW-UHFFFAOYSA-N 1 2 389.293 3.496 50 0 GGAALO COc1ccc2c(c1)[nH]c1c2CC[NH2+][C@]12C(=O)Nc1ccc(Br)cc12 ZINC000019899741 564303866 /nfs/dbraw/zinc/30/38/66/564303866.db2.gz QMHZDTMWKBEVIS-IBGZPJMESA-N 1 2 398.260 3.280 50 0 biogenic GGAALO CSc1ccc(C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000019889735 564304076 /nfs/dbraw/zinc/30/40/76/564304076.db2.gz WPVCKCUTTPXEJZ-UHFFFAOYSA-N 1 2 376.547 3.056 50 0 GGAALO C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2NC(=O)c2ccco2)CC1 ZINC000019908632 564304472 /nfs/dbraw/zinc/30/44/72/564304472.db2.gz UGWLZMQLTMPPDR-UHFFFAOYSA-N 1 2 382.247 3.226 50 0 GGAALO COc1ccc(Br)cc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000019904710 564304482 /nfs/dbraw/zinc/30/44/82/564304482.db2.gz FQOXTPHWNICVAQ-UHFFFAOYSA-N 1 2 376.298 3.171 50 0 GGAALO CN1c2ccc(Br)cc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000020064200 564305398 /nfs/dbraw/zinc/30/53/98/564305398.db2.gz JAYMFVKDUPYNNJ-IBGZPJMESA-N 1 2 382.261 3.296 50 0 biogenic GGAALO Cc1cc(Cl)cc(Br)c1OCCOCC[NH+]1CCOCC1 ZINC000020639642 564306573 /nfs/dbraw/zinc/30/65/73/564306573.db2.gz IUDJMTDPNLZVAA-UHFFFAOYSA-N 1 2 378.694 3.139 50 0 GGAALO CCOC(=O)c1c(N)sc2c1CC[N@H+](CC(=O)c1ccc(Cl)cc1)C2 ZINC000031829568 564393582 /nfs/dbraw/zinc/39/35/82/564393582.db2.gz GGYCUPWQNCJGGH-UHFFFAOYSA-N 1 2 378.881 3.401 50 0 GGAALO CCOC(=O)c1c(N)sc2c1CC[N@@H+](CC(=O)c1ccc(Cl)cc1)C2 ZINC000031829568 564393585 /nfs/dbraw/zinc/39/35/85/564393585.db2.gz GGYCUPWQNCJGGH-UHFFFAOYSA-N 1 2 378.881 3.401 50 0 GGAALO O=C(Cn1ccc2c1cccc2Br)N1CCN(c2cccc[nH+]2)CC1 ZINC000040286618 564427214 /nfs/dbraw/zinc/42/72/14/564427214.db2.gz YYUKQKDWKJVHSX-UHFFFAOYSA-N 1 2 399.292 3.148 50 0 GGAALO COC(=O)[C@@H]1C[C@H](Oc2ccc(-c3ccccc3)cc2Br)C[NH2+]1 ZINC000042783091 564449672 /nfs/dbraw/zinc/44/96/72/564449672.db2.gz FMXKAMYESXOGFS-HOCLYGCPSA-N 1 2 376.250 3.398 50 0 GGAALO COC(=O)[C@@H]1C[C@H](Oc2ccc(Br)cc2-c2ccccc2)C[NH2+]1 ZINC000042783103 564449720 /nfs/dbraw/zinc/44/97/20/564449720.db2.gz HARAEFPIGYRMCW-HOCLYGCPSA-N 1 2 376.250 3.398 50 0 GGAALO Cc1c(Cl)cccc1S(=O)(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC000043955224 564462760 /nfs/dbraw/zinc/46/27/60/564462760.db2.gz ZGFFSRRPPRURQV-UHFFFAOYSA-N 1 2 379.913 3.238 50 0 GGAALO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000077200669 564862883 /nfs/dbraw/zinc/86/28/83/564862883.db2.gz KHFCFOKQLOFPEF-AWEZNQCLSA-N 1 2 376.400 3.021 50 0 GGAALO CCc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000095353356 564898625 /nfs/dbraw/zinc/89/86/25/564898625.db2.gz SRPBKZHCVALVFX-DZGCQCFKSA-N 1 2 379.961 3.189 50 0 GGAALO CCc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cscn1)C2 ZINC000095353356 564898627 /nfs/dbraw/zinc/89/86/27/564898627.db2.gz SRPBKZHCVALVFX-DZGCQCFKSA-N 1 2 379.961 3.189 50 0 GGAALO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575614248 566277239 /nfs/dbraw/zinc/27/72/39/566277239.db2.gz XOUARTJALSMMKP-HNNXBMFYSA-N 1 2 397.294 3.076 50 0 GGAALO OCC[C@@H]1CN(Cc2c(F)ccc(F)c2F)CC[N@@H+]1Cc1ccccc1F ZINC000019721064 570211261 /nfs/dbraw/zinc/21/12/61/570211261.db2.gz DGHGFJXNXUMDRG-OAHLLOKOSA-N 1 2 382.401 3.312 50 0 GGAALO OCC[C@@H]1CN(Cc2c(F)ccc(F)c2F)CC[N@H+]1Cc1ccccc1F ZINC000019721064 570211262 /nfs/dbraw/zinc/21/12/62/570211262.db2.gz DGHGFJXNXUMDRG-OAHLLOKOSA-N 1 2 382.401 3.312 50 0 GGAALO C[C@@H](CN(C)C(=O)Nc1ccc(CCc2ccccn2)cc1)[NH+]1CCOCC1 ZINC000096132644 570211543 /nfs/dbraw/zinc/21/15/43/570211543.db2.gz SGOVUFYFJBQBME-SFHVURJKSA-N 1 2 382.508 3.051 50 0 GGAALO Cc1cc(C)cc(C(=O)N2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)c1 ZINC000096135766 570211731 /nfs/dbraw/zinc/21/17/31/570211731.db2.gz YJUBXAGKUOLSTP-UHFFFAOYSA-N 1 2 381.524 3.048 50 0 GGAALO CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(c2nc3ccccc3o2)CC1 ZINC000096135745 570211845 /nfs/dbraw/zinc/21/18/45/570211845.db2.gz ZDJXHNFQCWIWFU-UHFFFAOYSA-N 1 2 377.452 3.068 50 0 GGAALO CC[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 ZINC000096139182 570212760 /nfs/dbraw/zinc/21/27/60/570212760.db2.gz WQNNWZBQGDBDJB-GOSISDBHSA-N 1 2 383.496 3.500 50 0 GGAALO CC1(CCC(=O)N2CCC(c3nnc(Cn4cc[nH+]c4)n3C3CC3)CC2)CC1 ZINC000096153463 570216226 /nfs/dbraw/zinc/21/62/26/570216226.db2.gz FMQJVBIFHUDGDF-UHFFFAOYSA-N 1 2 382.512 3.144 50 0 GGAALO CCN1CC[NH+](C2(C(=O)N[C@@H](C)c3ccc(F)cc3)Cc3ccccc3C2)CC1 ZINC000019761524 570216593 /nfs/dbraw/zinc/21/65/93/570216593.db2.gz NTPIUAXZMFTUEN-SFHVURJKSA-N 1 2 395.522 3.178 50 0 GGAALO O=C(COc1ccccc1)N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000019773905 570217998 /nfs/dbraw/zinc/21/79/98/570217998.db2.gz YTSYVPITBGXZGX-UHFFFAOYSA-N 1 2 378.394 3.429 50 0 GGAALO O=C(c1ccccc1)N1CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000019771846 570218098 /nfs/dbraw/zinc/21/80/98/570218098.db2.gz VJMIPHYLLSQNDC-NRFANRHFSA-N 1 2 390.483 3.038 50 0 GGAALO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(SC)cc3)CC2)cc1OC ZINC000019789475 570219093 /nfs/dbraw/zinc/21/90/93/570219093.db2.gz GLTHFWYFPBBCRO-UHFFFAOYSA-N 1 2 386.517 3.384 50 0 GGAALO Cc1cccc(N2C(=O)C[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)c1 ZINC000000713186 570219667 /nfs/dbraw/zinc/21/96/67/570219667.db2.gz XFSBVSQVYWHISX-IBGZPJMESA-N 1 2 383.879 3.103 50 0 GGAALO CCOc1cc(C[N@@H+]2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)ccc1OC ZINC000019839540 570224092 /nfs/dbraw/zinc/22/40/92/570224092.db2.gz MYSOLOKKSIMPMN-IBGZPJMESA-N 1 2 388.508 3.064 50 0 GGAALO CCOc1cc(C[N@H+]2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)ccc1OC ZINC000019839540 570224096 /nfs/dbraw/zinc/22/40/96/570224096.db2.gz MYSOLOKKSIMPMN-IBGZPJMESA-N 1 2 388.508 3.064 50 0 GGAALO CCOc1cc(C[NH+]2CCN(C(=O)COc3cccc(C)c3)CC2)ccc1OC ZINC000019841964 570225275 /nfs/dbraw/zinc/22/52/75/570225275.db2.gz MEQRQPGOFGASPL-UHFFFAOYSA-N 1 2 398.503 3.126 50 0 GGAALO C[N@@H+]1CCc2nc3sc(C(=O)NCc4ccccc4Cl)c(N)c3cc2C1 ZINC000019853446 570225611 /nfs/dbraw/zinc/22/56/11/570225611.db2.gz MEDPUYVZOJSRIP-UHFFFAOYSA-N 1 2 386.908 3.450 50 0 GGAALO C[N@H+]1CCc2nc3sc(C(=O)NCc4ccccc4Cl)c(N)c3cc2C1 ZINC000019853446 570225613 /nfs/dbraw/zinc/22/56/13/570225613.db2.gz MEDPUYVZOJSRIP-UHFFFAOYSA-N 1 2 386.908 3.450 50 0 GGAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000019890526 570228038 /nfs/dbraw/zinc/22/80/38/570228038.db2.gz RJAHLYMREPWAED-UHFFFAOYSA-N 1 2 386.320 3.467 50 0 GGAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)NCc1ccccc1 ZINC000000882847 570228088 /nfs/dbraw/zinc/22/80/88/570228088.db2.gz KWPNRZTXYQCSPB-UHFFFAOYSA-N 1 2 375.457 3.224 50 0 GGAALO COc1cccc(OC)c1C(=O)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000019889370 570228104 /nfs/dbraw/zinc/22/81/04/570228104.db2.gz NBYCUDJRBVRORT-UHFFFAOYSA-N 1 2 379.460 3.143 50 0 GGAALO CC1CCN(C[C@@H](CS(=O)(=O)c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000019899396 570228543 /nfs/dbraw/zinc/22/85/43/570228543.db2.gz DDWYVTPVSRFWIC-FQEVSTJZSA-N 1 2 378.582 3.293 50 0 GGAALO CC1CC[NH+](CN2c3ccccc3[C@](O)(CC(=O)c3ccccc3)C2=O)CC1 ZINC000000896584 570228692 /nfs/dbraw/zinc/22/86/92/570228692.db2.gz LIHROYNRAPVUCA-HSZRJFAPSA-N 1 2 378.472 3.183 50 0 GGAALO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019911572 570229332 /nfs/dbraw/zinc/22/93/32/570229332.db2.gz OSBLKHISTFCZTE-UHFFFAOYSA-N 1 2 384.423 3.212 50 0 GGAALO CC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019911096 570229380 /nfs/dbraw/zinc/22/93/80/570229380.db2.gz YHKFBPJRDOSNBC-UHFFFAOYSA-N 1 2 397.500 3.133 50 0 GGAALO Clc1ccccc1Cc1noc(CN2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000096901459 570232923 /nfs/dbraw/zinc/23/29/23/570232923.db2.gz UYXQUOITQUTUNO-UHFFFAOYSA-N 1 2 383.883 3.027 50 0 GGAALO c1ccc([C@H]2NC3=[NH+]CN(Cc4ccccn4)CN3c3nc4ccccc4n32)cc1 ZINC000020101277 570239190 /nfs/dbraw/zinc/23/91/90/570239190.db2.gz YTXIPPFZIUIWMY-NRFANRHFSA-N 1 2 395.470 3.175 50 0 GGAALO c1coc(CN2C[NH+]=C3N[C@H](c4cccs4)n4c5ccccc5nc4N3C2)c1 ZINC000020102217 570239210 /nfs/dbraw/zinc/23/92/10/570239210.db2.gz FUNDNQLLZUMMEN-SFHVURJKSA-N 1 2 390.472 3.434 50 0 GGAALO c1ccc([C@@H]2NC3=[NH+]CN(Cc4cccnc4)CN3c3nc4ccccc4n32)cc1 ZINC000020101279 570239233 /nfs/dbraw/zinc/23/92/33/570239233.db2.gz COTISEHXNCSUCJ-OAQYLSRUSA-N 1 2 395.470 3.175 50 0 GGAALO c1ccc([C@@H]2NC3=[NH+]CN(Cc4ccccn4)CN3c3nc4ccccc4n32)cc1 ZINC000020101275 570239306 /nfs/dbraw/zinc/23/93/06/570239306.db2.gz YTXIPPFZIUIWMY-OAQYLSRUSA-N 1 2 395.470 3.175 50 0 GGAALO CCn1cc[nH+]c1C1CCN(C(=O)c2c[nH]nc2-c2cccc(OC)c2)CC1 ZINC000097499579 570244708 /nfs/dbraw/zinc/24/47/08/570244708.db2.gz DOWDZDOLODHMEY-UHFFFAOYSA-N 1 2 379.464 3.322 50 0 GGAALO COc1cccc(N2CCN(c3[nH+]cnc4c3cnn4-c3ccccc3)CC2)c1 ZINC000001132773 570246296 /nfs/dbraw/zinc/24/62/96/570246296.db2.gz STAKKESPUWZRGP-UHFFFAOYSA-N 1 2 386.459 3.151 50 0 GGAALO O=C(NC(=S)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(F)cc1 ZINC000020191578 570246484 /nfs/dbraw/zinc/24/64/84/570246484.db2.gz VBSXPTVMOBQJBU-QPJJXVBHSA-N 1 2 383.492 3.171 50 0 GGAALO OCC[C@@H]1C[N@H+](Cc2ccc(O)c(Cl)c2)CCN1Cc1ccc(F)cc1 ZINC000020204443 570247301 /nfs/dbraw/zinc/24/73/01/570247301.db2.gz CSNOJQNUJMNTHN-GOSISDBHSA-N 1 2 378.875 3.254 50 0 GGAALO OCC[C@@H]1C[N@@H+](Cc2ccc(O)c(Cl)c2)CCN1Cc1ccc(F)cc1 ZINC000020204443 570247302 /nfs/dbraw/zinc/24/73/02/570247302.db2.gz CSNOJQNUJMNTHN-GOSISDBHSA-N 1 2 378.875 3.254 50 0 GGAALO CCOc1ccccc1-n1c(O)c([C@@H]2[NH2+]CCc3ccccc32)c(=O)[nH]c1=S ZINC000020265981 570250589 /nfs/dbraw/zinc/25/05/89/570250589.db2.gz JVPINVOVCODRCJ-GOSISDBHSA-N 1 2 395.484 3.234 50 0 GGAALO COc1cccc(C[NH+]2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000020274195 570251090 /nfs/dbraw/zinc/25/10/90/570251090.db2.gz KREYKMYJZULSSK-UHFFFAOYSA-N 1 2 383.536 3.491 50 0 GGAALO COc1ccc(OC)c(NC(=O)c2sc3nc4c(cc3c2N)C[N@@H+](C)CC4)c1 ZINC000020289888 570251093 /nfs/dbraw/zinc/25/10/93/570251093.db2.gz JIJNCSOBYVCEGC-UHFFFAOYSA-N 1 2 398.488 3.136 50 0 GGAALO COc1ccc(OC)c(NC(=O)c2sc3nc4c(cc3c2N)C[N@H+](C)CC4)c1 ZINC000020289888 570251095 /nfs/dbraw/zinc/25/10/95/570251095.db2.gz JIJNCSOBYVCEGC-UHFFFAOYSA-N 1 2 398.488 3.136 50 0 GGAALO CN(CC[NH+]1CCOCC1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000020362772 570253068 /nfs/dbraw/zinc/25/30/68/570253068.db2.gz IYQYOBVPKJEZJI-UHFFFAOYSA-N 1 2 393.487 3.017 50 0 GGAALO COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000020385989 570254035 /nfs/dbraw/zinc/25/40/35/570254035.db2.gz SMGWCVYQXPROOK-UHFFFAOYSA-N 1 2 388.851 3.211 50 0 GGAALO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCN(Cc2ccsc2)[C@@H](CCO)C1 ZINC000020418637 570255035 /nfs/dbraw/zinc/25/50/35/570255035.db2.gz YIYYNWNCJZVDNK-IBGZPJMESA-N 1 2 376.570 3.211 50 0 GGAALO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCN(Cc2ccsc2)[C@@H](CCO)C1 ZINC000020418637 570255039 /nfs/dbraw/zinc/25/50/39/570255039.db2.gz YIYYNWNCJZVDNK-IBGZPJMESA-N 1 2 376.570 3.211 50 0 GGAALO O=C(c1ccc(Cl)nc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020426376 570255347 /nfs/dbraw/zinc/25/53/47/570255347.db2.gz NRNQMKHHQISYJM-UHFFFAOYSA-N 1 2 394.258 3.075 50 0 GGAALO CCOc1ccccc1NC(=O)CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020661314 570255418 /nfs/dbraw/zinc/25/54/18/570255418.db2.gz CORKUCUJXHWOLQ-DHZHZOJOSA-N 1 2 379.504 3.355 50 0 GGAALO Cc1cccc(CN2CC[N@H+](Cc3c[nH]nc3C3CCCCC3)C[C@H]2CCO)n1 ZINC000104634671 570255838 /nfs/dbraw/zinc/25/58/38/570255838.db2.gz FUYVBOSIVCTKPX-JOCHJYFZSA-N 1 2 397.567 3.230 50 0 GGAALO Cc1cccc(CN2CC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C[C@H]2CCO)n1 ZINC000104634671 570255840 /nfs/dbraw/zinc/25/58/40/570255840.db2.gz FUYVBOSIVCTKPX-JOCHJYFZSA-N 1 2 397.567 3.230 50 0 GGAALO Cc1cc2nc(C[N@@H+]3CCC[C@H](CCc4ccc(F)cc4F)C3)cc(=O)n2[nH]1 ZINC000101922128 570256110 /nfs/dbraw/zinc/25/61/10/570256110.db2.gz FLLQGZKUPMWIDE-OAHLLOKOSA-N 1 2 386.446 3.454 50 0 GGAALO Cc1cc2nc(C[N@H+]3CCC[C@H](CCc4ccc(F)cc4F)C3)cc(=O)n2[nH]1 ZINC000101922128 570256115 /nfs/dbraw/zinc/25/61/15/570256115.db2.gz FLLQGZKUPMWIDE-OAHLLOKOSA-N 1 2 386.446 3.454 50 0 GGAALO COc1ccc2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1ccc(C)cc1C)CC3 ZINC000048988410 570256717 /nfs/dbraw/zinc/25/67/17/570256717.db2.gz OKNYDZBEJYPHJY-UHFFFAOYSA-N 1 2 391.471 3.150 50 0 GGAALO COc1ccc2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1ccc(C)cc1C)CC3 ZINC000048988410 570256720 /nfs/dbraw/zinc/25/67/20/570256720.db2.gz OKNYDZBEJYPHJY-UHFFFAOYSA-N 1 2 391.471 3.150 50 0 GGAALO O=C(CSc1nnc(CCc2[nH]c3ccccc3[nH+]2)o1)NCc1cccs1 ZINC000049028980 570260491 /nfs/dbraw/zinc/26/04/91/570260491.db2.gz MPTGXINAXVCUGI-UHFFFAOYSA-N 1 2 399.501 3.201 50 0 GGAALO O=C(c1ccccc1C(F)(F)F)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000049031301 570261205 /nfs/dbraw/zinc/26/12/05/570261205.db2.gz YSJLEGIHBZAZNF-HNNXBMFYSA-N 1 2 384.423 3.258 50 0 GGAALO COc1ccc(C[N@@H+]2CCN(c3nc4ccccc4o3)C[C@H]2CCO)c(F)c1 ZINC000107004475 570261302 /nfs/dbraw/zinc/26/13/02/570261302.db2.gz ZAGSLBYVWSSXIU-MRXNPFEDSA-N 1 2 385.439 3.049 50 0 GGAALO COc1ccc(C[N@H+]2CCN(c3nc4ccccc4o3)C[C@H]2CCO)c(F)c1 ZINC000107004475 570261303 /nfs/dbraw/zinc/26/13/03/570261303.db2.gz ZAGSLBYVWSSXIU-MRXNPFEDSA-N 1 2 385.439 3.049 50 0 GGAALO CC(C)Cc1nc2oc3c(ncnc3NCC[NH+]3CCOCC3)c2c2c1CCC2 ZINC000020533204 570265320 /nfs/dbraw/zinc/26/53/20/570265320.db2.gz HLOMHRWQXYLFOZ-UHFFFAOYSA-N 1 2 395.507 3.202 50 0 GGAALO COCC[NH+]1CCN(C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)CC1 ZINC000020537956 570266102 /nfs/dbraw/zinc/26/61/02/570266102.db2.gz KDICHUGRISGBCF-UHFFFAOYSA-N 1 2 393.487 3.017 50 0 GGAALO Fc1cccc(C[NH+]2CCN(Cc3nc(COc4ccccc4)no3)CC2)c1 ZINC000020536891 570266147 /nfs/dbraw/zinc/26/61/47/570266147.db2.gz OBRPPKNHBGRTKW-UHFFFAOYSA-N 1 2 382.439 3.106 50 0 GGAALO COc1ccc([C@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1OC ZINC000049420898 570267192 /nfs/dbraw/zinc/26/71/92/570267192.db2.gz LFTKWEGXMQWUIF-GOSISDBHSA-N 1 2 376.884 3.213 50 0 GGAALO CC[C@@H](C)c1[nH]nc2c1C[N@H+](Cc1ccc(OC)c(Cn3cncn3)c1)CC2 ZINC000020600986 570269957 /nfs/dbraw/zinc/26/99/57/570269957.db2.gz OKKYMLNBWWNLHF-OAHLLOKOSA-N 1 2 380.496 3.130 50 0 GGAALO CC[C@@H](C)c1[nH]nc2c1C[N@@H+](Cc1ccc(OC)c(Cn3cncn3)c1)CC2 ZINC000020600986 570269958 /nfs/dbraw/zinc/26/99/58/570269958.db2.gz OKKYMLNBWWNLHF-OAHLLOKOSA-N 1 2 380.496 3.130 50 0 GGAALO COCCn1c[nH+]cc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000584901549 570271019 /nfs/dbraw/zinc/27/10/19/570271019.db2.gz FTYMTOLCMUAISB-UHFFFAOYSA-N 1 2 384.436 3.155 50 0 GGAALO CCn1nc(C)c(C[NH+]2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)c1C ZINC000020606753 570271205 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/nfs/dbraw/zinc/28/64/60/570286460.db2.gz BMKPDRFRNYWASD-JOCHJYFZSA-N 1 2 391.471 3.104 50 0 GGAALO O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000102819785 570292856 /nfs/dbraw/zinc/29/28/56/570292856.db2.gz NCFKBXUPTQLVBO-BKPSIGNASA-N 1 2 382.533 3.386 50 0 GGAALO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccco4)CC3)[nH+]c(C)n2)cc1 ZINC000021793997 570296298 /nfs/dbraw/zinc/29/62/98/570296298.db2.gz FPODTPRKDXGDLC-UHFFFAOYSA-N 1 2 377.448 3.392 50 0 GGAALO O=C(CCCOCc1ccccc1)[C@H]1CN(C(=O)OCc2ccccc2)CC[NH2+]1 ZINC000072233846 570319703 /nfs/dbraw/zinc/31/97/03/570319703.db2.gz LHQGCNVOHQBEQE-OAQYLSRUSA-N 1 2 396.487 3.163 50 0 GGAALO Cc1ccc2occ(CN3CC[N@H+](Cc4ccsc4)[C@@H](CCO)C3)c(=O)c2c1 ZINC000022925835 570335995 /nfs/dbraw/zinc/33/59/95/570335995.db2.gz BVEHGDUKGVECLJ-IBGZPJMESA-N 1 2 398.528 3.232 50 0 GGAALO Cc1ccc2occ(CN3CC[N@@H+](Cc4ccsc4)[C@@H](CCO)C3)c(=O)c2c1 ZINC000022925835 570335996 /nfs/dbraw/zinc/33/59/96/570335996.db2.gz BVEHGDUKGVECLJ-IBGZPJMESA-N 1 2 398.528 3.232 50 0 GGAALO Cc1ccc2occ(C[N@@H+]3CCN(Cc4ccsc4)[C@@H](CCO)C3)c(=O)c2c1 ZINC000022925835 570335998 /nfs/dbraw/zinc/33/59/98/570335998.db2.gz BVEHGDUKGVECLJ-IBGZPJMESA-N 1 2 398.528 3.232 50 0 GGAALO Cc1ccc2occ(C[N@H+]3CCN(Cc4ccsc4)[C@@H](CCO)C3)c(=O)c2c1 ZINC000022925835 570336000 /nfs/dbraw/zinc/33/60/00/570336000.db2.gz BVEHGDUKGVECLJ-IBGZPJMESA-N 1 2 398.528 3.232 50 0 GGAALO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575613099 570338050 /nfs/dbraw/zinc/33/80/50/570338050.db2.gz ORKNHCURCXSDGR-OAHLLOKOSA-N 1 2 386.395 3.333 50 0 GGAALO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575613092 570338164 /nfs/dbraw/zinc/33/81/64/570338164.db2.gz ORKNHCURCXSDGR-HNNXBMFYSA-N 1 2 386.395 3.333 50 0 GGAALO CCOc1ccccc1C(=O)N1CCN(c2[nH+]ccn2-c2ccccc2F)CC1 ZINC000011695686 570343967 /nfs/dbraw/zinc/34/39/67/570343967.db2.gz IEZFNVQDPRFELY-UHFFFAOYSA-N 1 2 394.450 3.373 50 0 GGAALO Cc1ccc(-n2cc[nH+]c2N2CCN(CC(=O)Nc3ccccc3F)CC2)cc1 ZINC000011695758 570344058 /nfs/dbraw/zinc/34/40/58/570344058.db2.gz ZCMWTENJLRLHMP-UHFFFAOYSA-N 1 2 393.466 3.081 50 0 GGAALO Cc1ccc(-n2cc[nH+]c2N2CCN(CC(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000011695757 570344089 /nfs/dbraw/zinc/34/40/89/570344089.db2.gz QTBDVULQFZZPAZ-UHFFFAOYSA-N 1 2 389.503 3.250 50 0 GGAALO C[NH+]1CCN([C@H](c2ccc(Cl)cc2)[C@@H](O)C(=O)c2c[nH]c3ccccc32)CC1 ZINC000023116787 570344608 /nfs/dbraw/zinc/34/46/08/570344608.db2.gz NHOTVTRLBDPUQL-IFMALSPDSA-N 1 2 397.906 3.354 50 0 GGAALO CNC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(Sc3nc[nH]n3)o2)s1 ZINC000023158890 570347340 /nfs/dbraw/zinc/34/73/40/570347340.db2.gz AIMRTDAKPQTDSA-LBPRGKRZSA-N 1 2 389.506 3.307 50 0 GGAALO CNC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(Sc3nc[nH]n3)o2)s1 ZINC000023158890 570347341 /nfs/dbraw/zinc/34/73/41/570347341.db2.gz AIMRTDAKPQTDSA-LBPRGKRZSA-N 1 2 389.506 3.307 50 0 GGAALO COc1ccc(C(=O)N2CC[C@@H](n3c(C)[nH+]c4ccccc43)C2)c(OC)c1OC ZINC000575615807 570355836 /nfs/dbraw/zinc/35/58/36/570355836.db2.gz GFZDFCGCEARQLB-OAHLLOKOSA-N 1 2 395.459 3.458 50 0 GGAALO COc1ccc(C(=O)N2CC[C@H](n3c(C)[nH+]c4ccccc43)C2)c(OC)c1OC ZINC000575615792 570355879 /nfs/dbraw/zinc/35/58/79/570355879.db2.gz GFZDFCGCEARQLB-HNNXBMFYSA-N 1 2 395.459 3.458 50 0 GGAALO OC[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1cccc(Oc3ccccc3)c1)C2 ZINC000219415362 570359791 /nfs/dbraw/zinc/35/97/91/570359791.db2.gz VFHWNDWUEYAVCE-QFIPXVFZSA-N 1 2 379.460 3.107 50 0 GGAALO OC[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cccc(Oc3ccccc3)c1)C2 ZINC000219415362 570359793 /nfs/dbraw/zinc/35/97/93/570359793.db2.gz VFHWNDWUEYAVCE-QFIPXVFZSA-N 1 2 379.460 3.107 50 0 GGAALO c1cn(C[C@@H]2CCCN(c3nccc(-c4cnn(-c5ccccc5)c4)n3)C2)c[nH+]1 ZINC000023478530 570363116 /nfs/dbraw/zinc/36/31/16/570363116.db2.gz XDRMDWNFGKICJH-SFHVURJKSA-N 1 2 385.475 3.442 50 0 GGAALO Cn1nccc1[C@H](O)c1cc2n(n1)CC[N@H+](Cc1ccc(C(C)(C)C)cc1)C2 ZINC000221235784 570392441 /nfs/dbraw/zinc/39/24/41/570392441.db2.gz LNWMGJXDNQINSK-OAQYLSRUSA-N 1 2 379.508 3.012 50 0 GGAALO Cn1nccc1[C@H](O)c1cc2n(n1)CC[N@@H+](Cc1ccc(C(C)(C)C)cc1)C2 ZINC000221235784 570392442 /nfs/dbraw/zinc/39/24/42/570392442.db2.gz LNWMGJXDNQINSK-OAQYLSRUSA-N 1 2 379.508 3.012 50 0 GGAALO CCCn1ncc(C[N@@H+]2CCn3nc([C@H](O)Cc4ccccc4)cc3C2)c1C ZINC000221284418 570392680 /nfs/dbraw/zinc/39/26/80/570392680.db2.gz IDLMVKGLBPHHGM-JOCHJYFZSA-N 1 2 379.508 3.090 50 0 GGAALO CCCn1ncc(C[N@H+]2CCn3nc([C@H](O)Cc4ccccc4)cc3C2)c1C ZINC000221284418 570392684 /nfs/dbraw/zinc/39/26/84/570392684.db2.gz IDLMVKGLBPHHGM-JOCHJYFZSA-N 1 2 379.508 3.090 50 0 GGAALO COc1ccc(-n2nnnc2C2([NH2+]Cc3ccco3)CCCCC2)cc1OC ZINC000035622607 570404267 /nfs/dbraw/zinc/40/42/67/570404267.db2.gz RXLZWDSZJYCXRH-UHFFFAOYSA-N 1 2 383.452 3.222 50 0 GGAALO Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccccc4)[C@H]3C2=O)c1 ZINC000245312037 570435297 /nfs/dbraw/zinc/43/52/97/570435297.db2.gz RXFYHRRDRDQGTJ-XSDIEEQYSA-N 1 2 388.467 3.139 50 0 GGAALO Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H]4CCC[N@H+]4[C@@H](C(=O)c4ccccc4)[C@H]3C2=O)c1 ZINC000245312037 570435298 /nfs/dbraw/zinc/43/52/98/570435298.db2.gz RXFYHRRDRDQGTJ-XSDIEEQYSA-N 1 2 388.467 3.139 50 0 GGAALO Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2C)[NH+]2CCOCC2)cc1 ZINC000027580314 570436163 /nfs/dbraw/zinc/43/61/63/570436163.db2.gz MYFZCFMZRSEHIH-OAQYLSRUSA-N 1 2 382.504 3.180 50 0 GGAALO CC1(c2ccccc2)COC2(OC1)c1ccccc1N(C[NH+]1CCCC1)C2=O ZINC000016578113 570449153 /nfs/dbraw/zinc/44/91/53/570449153.db2.gz DORGXOIUASUHDB-UHFFFAOYSA-N 1 2 378.472 3.244 50 0 GGAALO CC(C)c1ccc([C@@H](CNC(=O)COc2ccccc2)[NH+]2CCOCC2)cc1 ZINC000028292026 570456438 /nfs/dbraw/zinc/45/64/38/570456438.db2.gz UXOPFENQLSFMLV-JOCHJYFZSA-N 1 2 382.504 3.379 50 0 GGAALO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000035848066 570465020 /nfs/dbraw/zinc/46/50/20/570465020.db2.gz LSGCURXUUXADFZ-HCXYKTFWSA-N 1 2 394.858 3.175 50 0 GGAALO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000035848066 570465023 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GGAALO Cc1cccc(C(=O)N2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)c1 ZINC000426627846 570502457 /nfs/dbraw/zinc/50/24/57/570502457.db2.gz UHTICSRRHYABLJ-LJQANCHMSA-N 1 2 381.524 3.129 50 0 GGAALO C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000022836299 570554623 /nfs/dbraw/zinc/55/46/23/570554623.db2.gz GXTSPQLTLPKKOH-DWUINAILSA-N 1 2 396.531 3.286 50 0 GGAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(OC)c(OC)c1)[NH+]1CCCC1)S2 ZINC000022853013 570556647 /nfs/dbraw/zinc/55/66/47/570556647.db2.gz HKQIYIYHFMWVEJ-MRXNPFEDSA-N 1 2 388.493 3.261 50 0 GGAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(Cl)cc1)[NH+]1CCC(O)CC1)S2 ZINC000022855168 570557421 /nfs/dbraw/zinc/55/74/21/570557421.db2.gz NXGGFBFDWLRQRG-HNNXBMFYSA-N 1 2 392.912 3.258 50 0 GGAALO CCOc1cc(C[N@@H+]2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)ccc1OC ZINC000036385717 570564440 /nfs/dbraw/zinc/56/44/40/570564440.db2.gz MYSOLOKKSIMPMN-LJQANCHMSA-N 1 2 388.508 3.064 50 0 GGAALO CCOc1cc(C[N@H+]2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)ccc1OC ZINC000036385717 570564444 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COc1ccc(NC(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000053771431 570675404 /nfs/dbraw/zinc/67/54/04/570675404.db2.gz KWZGFVMLSABOGX-UHFFFAOYSA-N 1 2 389.883 3.118 50 0 GGAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)Nc1nccs1 ZINC000004341580 570676432 /nfs/dbraw/zinc/67/64/32/570676432.db2.gz JTCGLDJXMRILBZ-UHFFFAOYSA-N 1 2 386.437 3.142 50 0 GGAALO Cc1ccc(-n2cc[nH+]c2N2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000012444675 570678849 /nfs/dbraw/zinc/67/88/49/570678849.db2.gz PMWGNAGTBZFODB-UHFFFAOYSA-N 1 2 382.414 3.421 50 0 GGAALO COc1cccc(N2CC[NH+](CC(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000055060302 570680655 /nfs/dbraw/zinc/68/06/55/570680655.db2.gz LMWLBDBUMMRHCC-UHFFFAOYSA-N 1 2 377.847 3.248 50 0 GGAALO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccon2)CC1)c1ccccc1 ZINC000012580070 570683328 /nfs/dbraw/zinc/68/33/28/570683328.db2.gz BADPPXBLMZONAJ-HXUWFJFHSA-N 1 2 395.463 3.034 50 0 GGAALO CC[C@@H]1CCCC[N@@H+]1CCCn1c(=O)c2ccc(C(=O)OC)cc2[nH]c1=S ZINC000017269419 570703013 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GGAALO C[N@@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)C[C@H]1COCCO1 ZINC000013595217 570761598 /nfs/dbraw/zinc/76/15/98/570761598.db2.gz NJPYPBRTHCCIND-IBGZPJMESA-N 1 2 379.460 3.097 50 0 GGAALO C[N@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)C[C@H]1COCCO1 ZINC000013595217 570761601 /nfs/dbraw/zinc/76/16/01/570761601.db2.gz NJPYPBRTHCCIND-IBGZPJMESA-N 1 2 379.460 3.097 50 0 GGAALO CCOc1ccc(CC(=O)NCCc2c[nH]c(-c3ccc(OC)cc3)[nH+]2)cc1 ZINC000013627588 570763854 /nfs/dbraw/zinc/76/38/54/570763854.db2.gz MSFAWRRTTSRRMK-UHFFFAOYSA-N 1 2 379.460 3.385 50 0 GGAALO CCOc1ccc(CC(=O)NCCc2c[nH+]c(-c3ccc(OC)cc3)[nH]2)cc1 ZINC000013627588 570763855 /nfs/dbraw/zinc/76/38/55/570763855.db2.gz MSFAWRRTTSRRMK-UHFFFAOYSA-N 1 2 379.460 3.385 50 0 GGAALO CC(C)OC(=O)c1c(N)n(CCCn2cc[nH+]c2)c2nc3ccccc3nc21 ZINC000013646910 570766574 /nfs/dbraw/zinc/76/65/74/570766574.db2.gz UIZVPDKPAAEWIP-UHFFFAOYSA-N 1 2 378.436 3.019 50 0 GGAALO S=C(NC1CC1)N(CCC[NH+]1CCOCC1)Cc1cccc2ccccc21 ZINC000013735132 570784115 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CC[N@H+](CCn1cccn1)Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000014972459 570867951 /nfs/dbraw/zinc/86/79/51/570867951.db2.gz CLNROPMLFWJDCQ-UHFFFAOYSA-N 1 2 379.386 3.398 50 0 GGAALO CC[N@@H+](CCn1cccn1)Cc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000014972459 570867953 /nfs/dbraw/zinc/86/79/53/570867953.db2.gz CLNROPMLFWJDCQ-UHFFFAOYSA-N 1 2 379.386 3.398 50 0 GGAALO O=C(NCC[NH+]1CCOCC1)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000015061969 570874574 /nfs/dbraw/zinc/87/45/74/570874574.db2.gz FYKPHGHRTGWBEH-UHFFFAOYSA-N 1 2 393.487 3.065 50 0 GGAALO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@H]2C)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000015319059 570889377 /nfs/dbraw/zinc/88/93/77/570889377.db2.gz YHOMBZDWEQPAKY-OXQOHEQNSA-N 1 2 385.508 3.349 50 0 GGAALO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000015319059 570889380 /nfs/dbraw/zinc/88/93/80/570889380.db2.gz YHOMBZDWEQPAKY-OXQOHEQNSA-N 1 2 385.508 3.349 50 0 GGAALO COC(=O)c1ccsc1NC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000013324857 570895025 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/nfs/dbraw/zinc/25/52/80/231255280.db2.gz CBWUWFHDHNQXRF-NRFANRHFSA-N 1 2 380.488 3.386 50 0 GGAALO Cc1csc([C@@H](C)NC(=O)N(CCCn2cc[nH+]c2)Cc2cccnc2)n1 ZINC000426739088 231256394 /nfs/dbraw/zinc/25/63/94/231256394.db2.gz QCLBYZSLLMWVJU-MRXNPFEDSA-N 1 2 384.509 3.406 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@@H](CO)C4)csc3C2)nc1 ZINC000426497151 529643737 /nfs/dbraw/zinc/64/37/37/529643737.db2.gz HLLGOEGBOKDDHB-QGZVFWFLSA-N 1 2 399.560 3.108 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@@H](CO)C4)csc3C2)nc1 ZINC000426497151 529643739 /nfs/dbraw/zinc/64/37/39/529643739.db2.gz HLLGOEGBOKDDHB-QGZVFWFLSA-N 1 2 399.560 3.108 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@H]4CCCC[C@@H]4O)csc3C2)nc1 ZINC000426538015 529644098 /nfs/dbraw/zinc/64/40/98/529644098.db2.gz BBPDRCIRAYVOOD-PMACEKPBSA-N 1 2 399.560 3.297 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@H]4CCCC[C@@H]4O)csc3C2)nc1 ZINC000426538015 529644102 /nfs/dbraw/zinc/64/41/02/529644102.db2.gz BBPDRCIRAYVOOD-PMACEKPBSA-N 1 2 399.560 3.297 50 0 GGAALO CNc1cc(C)[nH+]c(-c2ccc(C(=O)N(C)Cc3cc(C)cc(C)n3)cc2)n1 ZINC000426436541 529834614 /nfs/dbraw/zinc/83/46/14/529834614.db2.gz KNKLZDVZEMKFJT-UHFFFAOYSA-N 1 2 375.476 3.200 50 0 GGAALO O=S(=O)(c1ccc(Br)cc1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000245174475 206280947 /nfs/dbraw/zinc/28/09/47/206280947.db2.gz YOLCLBXJUGGYBX-UHFFFAOYSA-N 1 2 397.294 3.076 50 0 GGAALO COc1cc(NC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)cc(OC)c1OC ZINC000253394132 206281076 /nfs/dbraw/zinc/28/10/76/206281076.db2.gz AJEQCFVLTCXWSU-UHFFFAOYSA-N 1 2 387.436 3.183 50 0 GGAALO COc1ccccc1C[NH2+][C@H]1CNC(=O)c2cc(-c3ccc(Cl)cc3)nn21 ZINC000263616743 206289625 /nfs/dbraw/zinc/28/96/25/206289625.db2.gz KHNYZYIZBXCSIP-LJQANCHMSA-N 1 2 382.851 3.244 50 0 GGAALO CCc1ccc(C[NH2+][C@H]2CNC(=O)c3cc(-c4cccc(OC)c4)nn32)cc1 ZINC000263619087 206290352 /nfs/dbraw/zinc/29/03/52/206290352.db2.gz WVGCSPAPDNSSDZ-OAQYLSRUSA-N 1 2 376.460 3.153 50 0 GGAALO COc1cccc(C[NH2+][C@@H]2CNC(=O)c3cc(-c4ccc(Cl)cc4)nn32)c1 ZINC000263618588 206291283 /nfs/dbraw/zinc/29/12/83/206291283.db2.gz UMWDJKDFBNRPOI-IBGZPJMESA-N 1 2 382.851 3.244 50 0 GGAALO CCc1ccc(C[NH2+][C@@H]2CNC(=O)c3cc(-c4cccc(OC)c4)nn32)cc1 ZINC000263619086 206291371 /nfs/dbraw/zinc/29/13/71/206291371.db2.gz WVGCSPAPDNSSDZ-NRFANRHFSA-N 1 2 376.460 3.153 50 0 GGAALO CN1c2ccc(Br)cc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000020064199 206295896 /nfs/dbraw/zinc/29/58/96/206295896.db2.gz JAYMFVKDUPYNNJ-LJQANCHMSA-N 1 2 382.261 3.296 50 0 biogenic GGAALO Cc1[nH]nc(-c2ccc(OCC[NH+]3CCOCC3)cc2O)c1-c1ccccc1 ZINC000020412700 206296211 /nfs/dbraw/zinc/29/62/11/206296211.db2.gz FTRVUPBKDDFGRL-UHFFFAOYSA-N 1 2 379.460 3.469 50 0 GGAALO COc1ccc2c(c1)[nH]c1c2CC[NH2+][C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000019899739 206296569 /nfs/dbraw/zinc/29/65/69/206296569.db2.gz QMHZDTMWKBEVIS-LJQANCHMSA-N 1 2 398.260 3.280 50 0 biogenic GGAALO COc1ccc(-c2c[nH]nc2-c2ccc(OCC[NH+]3CCOCC3)cc2O)cc1 ZINC000020590709 206297478 /nfs/dbraw/zinc/29/74/78/206297478.db2.gz QQDGGSDXLVCXIM-UHFFFAOYSA-N 1 2 395.459 3.169 50 0 GGAALO CCOC(=O)c1ccc(N2C(=O)C[C@H](n3c(C)[nH+]c4ccccc43)C2=O)cc1 ZINC000000892381 206331585 /nfs/dbraw/zinc/33/15/85/206331585.db2.gz PUIXYCPLHPNAHP-SFHVURJKSA-N 1 2 377.400 3.026 50 0 GGAALO O=C1N(C[NH+]2CCC(Cc3ccccc3)CC2)c2ccccc2C12OCCO2 ZINC000000707738 206317675 /nfs/dbraw/zinc/31/76/75/206317675.db2.gz DSNWOPWHMKMQCM-UHFFFAOYSA-N 1 2 378.472 3.145 50 0 GGAALO COc1ccc(OCC(=O)N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)cc1 ZINC000009575628 206337788 /nfs/dbraw/zinc/33/77/88/206337788.db2.gz DURMPAHBIAUGAI-UHFFFAOYSA-N 1 2 391.471 3.279 50 0 GGAALO Cc1cccc2c(C)cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)[nH+]c12 ZINC000001402697 206379704 /nfs/dbraw/zinc/37/97/04/206379704.db2.gz YGUJDKVEQDAINB-UHFFFAOYSA-N 1 2 381.501 3.363 50 0 GGAALO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)c(OC)cc2OC)C1 ZINC000001227010 206368781 /nfs/dbraw/zinc/36/87/81/206368781.db2.gz DPKUQYJAPFRWMP-GFCCVEGCSA-N 1 2 386.286 3.241 50 0 GGAALO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)c(OC)cc2OC)C1 ZINC000001227010 206368785 /nfs/dbraw/zinc/36/87/85/206368785.db2.gz DPKUQYJAPFRWMP-GFCCVEGCSA-N 1 2 386.286 3.241 50 0 GGAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000004937256 206575253 /nfs/dbraw/zinc/57/52/53/206575253.db2.gz QVWNEDZNLKYTJN-HNNXBMFYSA-N 1 2 390.439 3.380 50 0 GGAALO O=C(c1ccc(COCC(F)(F)F)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000006226722 206645053 /nfs/dbraw/zinc/64/50/53/206645053.db2.gz LTGDDDZXSMICGX-UHFFFAOYSA-N 1 2 379.382 3.123 50 0 GGAALO Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCc4c[nH+]c[nH]4)c3n2)cc1 ZINC000013961265 207006009 /nfs/dbraw/zinc/00/60/09/207006009.db2.gz ZPDNOHLRXAELAJ-UHFFFAOYSA-N 1 2 396.401 3.338 50 0 GGAALO Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCc4c[nH]c[nH+]4)c3n2)cc1 ZINC000013961265 207006014 /nfs/dbraw/zinc/00/60/14/207006014.db2.gz ZPDNOHLRXAELAJ-UHFFFAOYSA-N 1 2 396.401 3.338 50 0 GGAALO CCOC(=O)c1nn(Cc2ccccc2)c2c1C[N@H+](Cc1ccc(O)cc1)CC2 ZINC000014534512 207022983 /nfs/dbraw/zinc/02/29/83/207022983.db2.gz UTLWNUSUAZXHDC-UHFFFAOYSA-N 1 2 391.471 3.372 50 0 GGAALO CCOC(=O)c1nn(Cc2ccccc2)c2c1C[N@@H+](Cc1ccc(O)cc1)CC2 ZINC000014534512 207022987 /nfs/dbraw/zinc/02/29/87/207022987.db2.gz UTLWNUSUAZXHDC-UHFFFAOYSA-N 1 2 391.471 3.372 50 0 GGAALO COc1ccc(O[C@@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000014400159 207020323 /nfs/dbraw/zinc/02/03/23/207020323.db2.gz AWFWGCCSRXDVLH-AIADIJKESA-N 1 2 380.488 3.320 50 0 GGAALO CCNC(=O)c1nn(CC2CC2)c2c1C[N@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC000014744596 207027642 /nfs/dbraw/zinc/02/76/42/207027642.db2.gz YYVBIGFGSJLUEK-UHFFFAOYSA-N 1 2 377.492 3.082 50 0 GGAALO CCNC(=O)c1nn(CC2CC2)c2c1C[N@@H+](Cc1cc3ccccc3[nH]1)CC2 ZINC000014744596 207027646 /nfs/dbraw/zinc/02/76/46/207027646.db2.gz YYVBIGFGSJLUEK-UHFFFAOYSA-N 1 2 377.492 3.082 50 0 GGAALO O=C(NCC1(c2ccccc2)CCCCC1)c1cc(C[N@H+]2CCC[C@@H](O)C2)on1 ZINC000014980366 207037951 /nfs/dbraw/zinc/03/79/51/207037951.db2.gz QEETZUBLTUJKTQ-LJQANCHMSA-N 1 2 397.519 3.263 50 0 GGAALO O=C(NCC1(c2ccccc2)CCCCC1)c1cc(C[N@@H+]2CCC[C@@H](O)C2)on1 ZINC000014980366 207037954 /nfs/dbraw/zinc/03/79/54/207037954.db2.gz QEETZUBLTUJKTQ-LJQANCHMSA-N 1 2 397.519 3.263 50 0 GGAALO O=c1c2c([nH]c(=S)n1CCC[NH+]1CCOCC1)sc1c2CCCCC1 ZINC000017077642 207082066 /nfs/dbraw/zinc/08/20/66/207082066.db2.gz FHOAIKNEJYUPDO-UHFFFAOYSA-N 1 2 379.551 3.112 50 0 GGAALO COC(=O)c1c(C)c(C)sc1NC(=S)N1CCN(c2cccc[nH+]2)CC1 ZINC000017079780 207083444 /nfs/dbraw/zinc/08/34/44/207083444.db2.gz NSSPXYYMEBMAOD-UHFFFAOYSA-N 1 2 390.534 3.066 50 0 GGAALO COc1ccc(N2C(=O)C[C@@H]([N@H+]3CC=C(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000018093528 207091862 /nfs/dbraw/zinc/09/18/62/207091862.db2.gz ZRSBVUPTWSJGSP-HXUWFJFHSA-N 1 2 380.419 3.256 50 0 GGAALO COc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC=C(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000018093528 207091867 /nfs/dbraw/zinc/09/18/67/207091867.db2.gz ZRSBVUPTWSJGSP-HXUWFJFHSA-N 1 2 380.419 3.256 50 0 GGAALO O=C1C[C@@H]([N@@H+]2CCc3ccccc3C2)C(=O)N1c1ccc(Br)cc1 ZINC000018136358 207093652 /nfs/dbraw/zinc/09/36/52/207093652.db2.gz PVOXCJXXXYMFFZ-QGZVFWFLSA-N 1 2 385.261 3.139 50 0 GGAALO O=C1C[C@@H]([N@H+]2CCc3ccccc3C2)C(=O)N1c1ccc(Br)cc1 ZINC000018136358 207093653 /nfs/dbraw/zinc/09/36/53/207093653.db2.gz PVOXCJXXXYMFFZ-QGZVFWFLSA-N 1 2 385.261 3.139 50 0 GGAALO Cc1cccn2cc(-c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)c3)[nH+]c12 ZINC000018129015 207094023 /nfs/dbraw/zinc/09/40/23/207094023.db2.gz CIRGAQHCUJTAES-IYBDPMFKSA-N 1 2 385.489 3.108 50 0 GGAALO CN(CC[NH+]1CCOCC1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000019227577 207109442 /nfs/dbraw/zinc/10/94/42/207109442.db2.gz PUBVFKBNZIDZRL-UHFFFAOYSA-N 1 2 392.503 3.014 50 0 GGAALO CCOc1cc(C[NH+]2CCN(C(=O)c3ccc(OC)cc3)CC2)ccc1OC ZINC000019532039 207130878 /nfs/dbraw/zinc/13/08/78/207130878.db2.gz CTHIHYSJIRPRQK-UHFFFAOYSA-N 1 2 384.476 3.061 50 0 GGAALO CCCOc1ccc(C(=O)CC[NH2+]c2ccc(-n3cnnn3)cc2OC)cc1 ZINC000019625336 207143772 /nfs/dbraw/zinc/14/37/72/207143772.db2.gz WTRCLKPEHRPIHT-UHFFFAOYSA-N 1 2 381.436 3.145 50 0 GGAALO Cn1c(C[N@@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)nc2ccccc21 ZINC000019608525 207144326 /nfs/dbraw/zinc/14/43/26/207144326.db2.gz PVGSIGUOQJVUJK-MRXNPFEDSA-N 1 2 377.444 3.397 50 0 GGAALO Cn1c(C[N@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)nc2ccccc21 ZINC000019608525 207144329 /nfs/dbraw/zinc/14/43/29/207144329.db2.gz PVGSIGUOQJVUJK-MRXNPFEDSA-N 1 2 377.444 3.397 50 0 GGAALO Cc1cccc(N2C(=O)C[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)c1 ZINC000019642863 207146191 /nfs/dbraw/zinc/14/61/91/207146191.db2.gz XFSBVSQVYWHISX-LJQANCHMSA-N 1 2 383.879 3.103 50 0 GGAALO OCC[C@H]1CN(Cc2c(F)ccc(F)c2F)CC[N@@H+]1Cc1ccccc1F ZINC000019721065 207154957 /nfs/dbraw/zinc/15/49/57/207154957.db2.gz DGHGFJXNXUMDRG-HNNXBMFYSA-N 1 2 382.401 3.312 50 0 GGAALO OCC[C@H]1CN(Cc2c(F)ccc(F)c2F)CC[N@H+]1Cc1ccccc1F ZINC000019721065 207154960 /nfs/dbraw/zinc/15/49/60/207154960.db2.gz DGHGFJXNXUMDRG-HNNXBMFYSA-N 1 2 382.401 3.312 50 0 GGAALO CCCCCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCSCC3)C2=O)cc1 ZINC000019731258 207155610 /nfs/dbraw/zinc/15/56/10/207155610.db2.gz BRHVLZYZCVQAQE-SFHVURJKSA-N 1 2 376.522 3.326 50 0 GGAALO Cc1ccc(-c2cc(C(=O)NCC[NH+]3CCOCC3)c3ccccc3n2)cc1 ZINC000019760067 207158789 /nfs/dbraw/zinc/15/87/89/207158789.db2.gz MXBQXLGNKBOWOX-UHFFFAOYSA-N 1 2 375.472 3.272 50 0 GGAALO CC[N@@H+]1CCc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2C1 ZINC000019873758 207168825 /nfs/dbraw/zinc/16/88/25/207168825.db2.gz WUCKZOSKFXRLQN-UHFFFAOYSA-N 1 2 392.528 3.455 50 0 GGAALO CC[N@H+]1CCc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2C1 ZINC000019873758 207168830 /nfs/dbraw/zinc/16/88/30/207168830.db2.gz WUCKZOSKFXRLQN-UHFFFAOYSA-N 1 2 392.528 3.455 50 0 GGAALO CCOC(=O)N1CC[NH+](Cc2c(C)c(C)sc2NC(=O)c2ccco2)CC1 ZINC000019879522 207168891 /nfs/dbraw/zinc/16/88/91/207168891.db2.gz FKQLTUDGOLBVND-UHFFFAOYSA-N 1 2 391.493 3.484 50 0 GGAALO COc1cccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)on2)c1 ZINC000019894453 207167657 /nfs/dbraw/zinc/16/76/57/207167657.db2.gz NTDWSOTWRNCRTB-UHFFFAOYSA-N 1 2 377.444 3.308 50 0 GGAALO O=C(/C=C/c1ccccc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019866774 207168314 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399.472 3.141 50 0 GGAALO CC[NH+]1CCN(c2nc(C)c3c(n2)C[C@@H](/C=C/c2ccccc2)CC3=O)CC1 ZINC000004983459 570389341 /nfs/dbraw/zinc/38/93/41/570389341.db2.gz WHWFHWCPGCJQIU-JBVUFVISSA-N 1 2 376.504 3.385 50 0 GGAALO CCOC(=O)c1c2c(sc1NC(=O)C[NH+]1CCCCC1)COC(C)(C)C2 ZINC000004823557 570408827 /nfs/dbraw/zinc/40/88/27/570408827.db2.gz NHVCNAGQBZLKOR-UHFFFAOYSA-N 1 2 380.510 3.201 50 0 GGAALO CCOC(=O)C1CC[NH+](CC(=O)N(CC)c2nc3ccc(C)cc3s2)CC1 ZINC000004858123 570413085 /nfs/dbraw/zinc/41/30/85/570413085.db2.gz VAVACZVLNFMICT-UHFFFAOYSA-N 1 2 389.521 3.233 50 0 GGAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000245310048 570435290 /nfs/dbraw/zinc/43/52/90/570435290.db2.gz GXCSIUNHINIJHW-WTGUMLROSA-N 1 2 392.842 3.444 50 0 GGAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000245310048 570435291 /nfs/dbraw/zinc/43/52/91/570435291.db2.gz GXCSIUNHINIJHW-WTGUMLROSA-N 1 2 392.842 3.444 50 0 GGAALO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)NCc1n[nH]c2c1CCCCC2 ZINC000426628727 570502851 /nfs/dbraw/zinc/50/28/51/570502851.db2.gz GWFPYBSSKKTXBW-QGZVFWFLSA-N 1 2 384.528 3.338 50 0 GGAALO CC1=CCN(C(=O)c2cccc(-c3ccc(C[NH+]4CCOCC4)cn3)c2)CC1 ZINC000426628779 570503150 /nfs/dbraw/zinc/50/31/50/570503150.db2.gz OVXWVPJXBBHQHH-UHFFFAOYSA-N 1 2 377.488 3.373 50 0 GGAALO O=C(NCCc1c[nH+]c[nH]1)c1ccc2c(c1)C(=O)N(C1CCCCCCC1)C2=O ZINC000061720774 570503395 /nfs/dbraw/zinc/50/33/95/570503395.db2.gz KXILUOXUCMXRSN-UHFFFAOYSA-N 1 2 394.475 3.091 50 0 GGAALO O=C(NCCc1c[nH]c[nH+]1)c1ccc2c(c1)C(=O)N(C1CCCCCCC1)C2=O ZINC000061720774 570503398 /nfs/dbraw/zinc/50/33/98/570503398.db2.gz KXILUOXUCMXRSN-UHFFFAOYSA-N 1 2 394.475 3.091 50 0 GGAALO CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCCCn3cc[nH+]c3)c12 ZINC000005207318 570506523 /nfs/dbraw/zinc/50/65/23/570506523.db2.gz YPIWGRNMWYVDHL-MRXNPFEDSA-N 1 2 397.475 3.224 50 0 GGAALO Cc1c2c(nn1-c1ccc(C)cc1)c(SCC[NH+]1CCOCC1)nnc2C ZINC000033332276 570525356 /nfs/dbraw/zinc/52/53/56/570525356.db2.gz APXBKTFOSOPGRD-UHFFFAOYSA-N 1 2 383.521 3.165 50 0 GGAALO CC[NH+](CC)CCn1c2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1 ZINC000005247154 570527349 /nfs/dbraw/zinc/52/73/49/570527349.db2.gz SZMKARZECLEQFZ-UHFFFAOYSA-N 1 2 386.521 3.487 50 0 GGAALO O=C(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)C(=O)NC1CCCC1 ZINC000022766672 570544197 /nfs/dbraw/zinc/54/41/97/570544197.db2.gz OWISPJYCXAYQJY-FQEVSTJZSA-N 1 2 397.544 3.023 50 0 GGAALO O=C(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)C(=O)NC1CCCC1 ZINC000022766672 570544198 /nfs/dbraw/zinc/54/41/98/570544198.db2.gz OWISPJYCXAYQJY-FQEVSTJZSA-N 1 2 397.544 3.023 50 0 GGAALO COc1ccc(Nc2nc(N3CC[NH+](C)CC3)nc3c2C(=O)CC(C)(C)C3)cc1 ZINC000009306327 570555033 /nfs/dbraw/zinc/55/50/33/570555033.db2.gz RKHXYHNGJDZVFZ-UHFFFAOYSA-N 1 2 395.507 3.136 50 0 GGAALO Cc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3[C@H]3CCC[N@@H+]32)cc1 ZINC000005322165 570558634 /nfs/dbraw/zinc/55/86/34/570558634.db2.gz TYIXOTSYIDPKQW-NCYKPQTJSA-N 1 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ZINC000011663677 570577972 /nfs/dbraw/zinc/57/79/72/570577972.db2.gz MEWZZCKKMJHUQC-UHFFFAOYSA-N 1 2 384.436 3.047 50 0 GGAALO O=C(CCc1cn2ccccc2[nH+]1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000011664830 570578352 /nfs/dbraw/zinc/57/83/52/570578352.db2.gz VUHUUOHSRGNSMX-UHFFFAOYSA-N 1 2 377.488 3.111 50 0 GGAALO O=C(Nc1ccc(Cl)cc1)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038528319 570579852 /nfs/dbraw/zinc/57/98/52/570579852.db2.gz PGKXMQQHFGHFPT-UHFFFAOYSA-N 1 2 386.887 3.084 50 0 GGAALO O=C(Nc1ccc(Cl)cc1)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038528319 570579856 /nfs/dbraw/zinc/57/98/56/570579856.db2.gz PGKXMQQHFGHFPT-UHFFFAOYSA-N 1 2 386.887 3.084 50 0 GGAALO Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)c1C ZINC000038528335 570580398 /nfs/dbraw/zinc/58/03/98/570580398.db2.gz QDOBWVLHSHWAEB-UHFFFAOYSA-N 1 2 380.496 3.048 50 0 GGAALO Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)c1C ZINC000038528335 570580400 /nfs/dbraw/zinc/58/04/00/570580400.db2.gz QDOBWVLHSHWAEB-UHFFFAOYSA-N 1 2 380.496 3.048 50 0 GGAALO O=C(c1cccc(Cl)c1)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038530642 570580569 /nfs/dbraw/zinc/58/05/69/570580569.db2.gz NHVMWPQZYRXDGD-UHFFFAOYSA-N 1 2 385.899 3.083 50 0 GGAALO O=C(c1cccc(Cl)c1)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038530642 570580571 /nfs/dbraw/zinc/58/05/71/570580571.db2.gz NHVMWPQZYRXDGD-UHFFFAOYSA-N 1 2 385.899 3.083 50 0 GGAALO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CCNC(=O)c1cc3cc(F)ccc3[nH]1)C2 ZINC000011814982 570584011 /nfs/dbraw/zinc/58/40/11/570584011.db2.gz CMMPGXVOVKAYPS-CQSZACIVSA-N 1 2 397.450 3.329 50 0 GGAALO COc1ccc2c(c1)O[C@H](C)C[N@H+](CCNC(=O)c1cc3cc(F)ccc3[nH]1)C2 ZINC000011814982 570584016 /nfs/dbraw/zinc/58/40/16/570584016.db2.gz CMMPGXVOVKAYPS-CQSZACIVSA-N 1 2 397.450 3.329 50 0 GGAALO C[N@H+](Cc1cc(C(=O)NC[C@H]2OCCc3ccccc32)no1)Cc1ccccc1 ZINC000011816479 570584222 /nfs/dbraw/zinc/58/42/22/570584222.db2.gz CTXCAGXGUSLQGL-JOCHJYFZSA-N 1 2 391.471 3.350 50 0 GGAALO C[N@@H+](Cc1cc(C(=O)NC[C@H]2OCCc3ccccc32)no1)Cc1ccccc1 ZINC000011816479 570584224 /nfs/dbraw/zinc/58/42/24/570584224.db2.gz CTXCAGXGUSLQGL-JOCHJYFZSA-N 1 2 391.471 3.350 50 0 GGAALO O=C(Cc1csc(-c2ccccc2F)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000011866134 570588933 /nfs/dbraw/zinc/58/89/33/570588933.db2.gz QLNCMAULZIIDBJ-UHFFFAOYSA-N 1 2 382.464 3.236 50 0 GGAALO c1cncc(CO[C@@H]2CCC[N@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)c1 ZINC000011874444 570590028 /nfs/dbraw/zinc/59/00/28/570590028.db2.gz ZTKSFUZJNOPILJ-QGZVFWFLSA-N 1 2 394.431 3.042 50 0 GGAALO c1cncc(CO[C@@H]2CCC[N@@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)c1 ZINC000011874444 570590030 /nfs/dbraw/zinc/59/00/30/570590030.db2.gz ZTKSFUZJNOPILJ-QGZVFWFLSA-N 1 2 394.431 3.042 50 0 GGAALO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(-c2ccsc2)nc1N1CCCC1 ZINC000011911995 570592385 /nfs/dbraw/zinc/59/23/85/570592385.db2.gz RZQCLEMAOYCTMD-UHFFFAOYSA-N 1 2 381.505 3.416 50 0 GGAALO CCc1[nH+]c(C)ccc1OCC(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000011936585 570593804 /nfs/dbraw/zinc/59/38/04/570593804.db2.gz JCPYWVJKWHCMSZ-UHFFFAOYSA-N 1 2 394.450 3.445 50 0 GGAALO c1ccc(OCc2noc(C[NH+]3CCC(OCc4ccccn4)CC3)n2)cc1 ZINC000011936915 570594804 /nfs/dbraw/zinc/59/48/04/570594804.db2.gz MRVIHHKRTBQWKK-UHFFFAOYSA-N 1 2 380.448 3.225 50 0 GGAALO Cc1c(-c2cccc(Cl)c2)nn2c1nc(C)cc2NCC[NH+]1CCOCC1 ZINC000040216713 570596603 /nfs/dbraw/zinc/59/66/03/570596603.db2.gz FKZMQUYDVSGIGY-UHFFFAOYSA-N 1 2 385.899 3.411 50 0 GGAALO COc1ccc(Cc2nc3ccc(C(=O)NCCn4cc[nH+]c4)cc3o2)cc1 ZINC000012193176 570622207 /nfs/dbraw/zinc/62/22/07/570622207.db2.gz ZHVYHNQFZOKJMZ-UHFFFAOYSA-N 1 2 376.416 3.054 50 0 GGAALO Cc1cc2[nH+]cn(C[C@@H](O)CN3C(=O)N[C@@](C)(C4CCCCC4)C3=O)c2cc1C ZINC000328688528 570624807 /nfs/dbraw/zinc/62/48/07/570624807.db2.gz QAAUXVQCYVDRQX-VGSWGCGISA-N 1 2 398.507 3.109 50 0 GGAALO CCn1cc[nH+]c1CN(C)C(=O)c1cc(COc2ccccc2SC)on1 ZINC000012299684 570635387 /nfs/dbraw/zinc/63/53/87/570635387.db2.gz HGAURCLRZDJZOK-UHFFFAOYSA-N 1 2 386.477 3.464 50 0 GGAALO Cc1[nH+]c2ccccn2c1CN(C)C(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000012301777 570636491 /nfs/dbraw/zinc/63/64/91/570636491.db2.gz QUFFVVBPVPDLHR-UHFFFAOYSA-N 1 2 394.866 3.208 50 0 GGAALO COc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)C2CCCC2)CC1 ZINC000012307919 570639731 /nfs/dbraw/zinc/63/97/31/570639731.db2.gz IEPXDYRNWGUZES-UHFFFAOYSA-N 1 2 394.519 3.223 50 0 GGAALO O=C(NC(c1ccccc1)c1ccccc1)c1cc(C[N@H+]2CCC[C@H](O)C2)on1 ZINC000012387662 570652246 /nfs/dbraw/zinc/65/22/46/570652246.db2.gz FMIITDFXAWPFMD-IBGZPJMESA-N 1 2 391.471 3.151 50 0 GGAALO O=C(NC(c1ccccc1)c1ccccc1)c1cc(C[N@@H+]2CCC[C@H](O)C2)on1 ZINC000012387662 570652249 /nfs/dbraw/zinc/65/22/49/570652249.db2.gz FMIITDFXAWPFMD-IBGZPJMESA-N 1 2 391.471 3.151 50 0 GGAALO COc1ccc2c(c1)[nH+]c1n2CN(C[C@H]2CCCO2)CN1Cc1ccccc1 ZINC000012407358 570654431 /nfs/dbraw/zinc/65/44/31/570654431.db2.gz UPEJPPWFTGSHOP-LJQANCHMSA-N 1 2 378.476 3.461 50 0 GGAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1OC(F)(F)F ZINC000048513536 570659268 /nfs/dbraw/zinc/65/92/68/570659268.db2.gz AAPZCYXLDFKVND-UHFFFAOYSA-N 1 2 379.382 3.346 50 0 GGAALO 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COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](OCc4ccccn4)C3)n2)cc1 ZINC000012448000 1399043007 /nfs/dbraw/zinc/04/30/07/1399043007.db2.gz ILZDEMTXAOWLPO-LJQANCHMSA-N 1 2 380.448 3.321 50 0 GGAALO Cc1noc(C)c1CO[C@@H]1CN(CC(C)C)C(=O)C[N@@H+](Cc2ccccc2)C1 ZINC000014748547 1399117794 /nfs/dbraw/zinc/11/77/94/1399117794.db2.gz XNMWQOCVZDQSSS-FQEVSTJZSA-N 1 2 385.508 3.177 50 0 GGAALO Cc1noc(C)c1CO[C@@H]1CN(CC(C)C)C(=O)C[N@H+](Cc2ccccc2)C1 ZINC000014748547 1399117795 /nfs/dbraw/zinc/11/77/95/1399117795.db2.gz XNMWQOCVZDQSSS-FQEVSTJZSA-N 1 2 385.508 3.177 50 0 GGAALO CCSc1nc2sc3c(c2c2nnnn21)CC[N@@H+](Cc1ccccc1)C3 ZINC000020083460 1399342201 /nfs/dbraw/zinc/34/22/01/1399342201.db2.gz RKCKNRJSDCEHCP-UHFFFAOYSA-N 1 2 382.518 3.404 50 0 GGAALO CCSc1nc2sc3c(c2c2nnnn21)CC[N@H+](Cc1ccccc1)C3 ZINC000020083460 1399342203 /nfs/dbraw/zinc/34/22/03/1399342203.db2.gz RKCKNRJSDCEHCP-UHFFFAOYSA-N 1 2 382.518 3.404 50 0 GGAALO c1sc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)nc1-c1ccccc1 ZINC000020210673 1399344526 /nfs/dbraw/zinc/34/45/26/1399344526.db2.gz JMOPOCMBKLLVGE-KRWDZBQOSA-N 1 2 381.505 3.311 50 0 GGAALO c1sc(C[N@@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)nc1-c1ccccc1 ZINC000020210673 1399344528 /nfs/dbraw/zinc/34/45/28/1399344528.db2.gz JMOPOCMBKLLVGE-KRWDZBQOSA-N 1 2 381.505 3.311 50 0 GGAALO COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)Cn4cc[nH+]c4)C3)ccc2c1 ZINC000020542437 1399348883 /nfs/dbraw/zinc/34/88/83/1399348883.db2.gz SXWCRVMIFXNIFG-IBGZPJMESA-N 1 2 377.444 3.166 50 0 GGAALO c1cc(Sc2nc[nH]n2)oc1C[N@@H+]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000020562189 1399349357 /nfs/dbraw/zinc/34/93/57/1399349357.db2.gz GTAMAIRSTOIEFH-UHFFFAOYSA-N 1 2 378.461 3.497 50 0 GGAALO c1cc(Sc2nc[nH]n2)oc1C[N@H+]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000020562189 1399349364 /nfs/dbraw/zinc/34/93/64/1399349364.db2.gz GTAMAIRSTOIEFH-UHFFFAOYSA-N 1 2 378.461 3.497 50 0 GGAALO CCCCc1[nH]c(CN2Cc3nc(N)nc(-c4ccc(OC)cc4)c3C2)c[nH+]1 ZINC000065382947 1408664459 /nfs/dbraw/zinc/66/44/59/1408664459.db2.gz HROVHPNKCZCIGA-UHFFFAOYSA-N 1 2 378.480 3.316 50 0 GGAALO CCCCc1[nH]cc(CN2Cc3nc(N)nc(-c4ccc(OC)cc4)c3C2)[nH+]1 ZINC000065382947 1408664464 /nfs/dbraw/zinc/66/44/64/1408664464.db2.gz HROVHPNKCZCIGA-UHFFFAOYSA-N 1 2 378.480 3.316 50 0 GGAALO Cc1ccc(-n2cc(C[NH+]3CCN(CCO)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000065454217 1408671743 /nfs/dbraw/zinc/67/17/43/1408671743.db2.gz UPOSKMQKWRZSBG-UHFFFAOYSA-N 1 2 394.494 3.097 50 0 GGAALO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000019533295 210257607 /nfs/dbraw/zinc/25/76/07/210257607.db2.gz FZLLMDCYDUYWHH-UHFFFAOYSA-N 1 2 384.476 3.061 50 0 GGAALO COCCn1cnnc1[C@H](C)NC(=O)c1ccc(-c2ccc(C)[nH+]c2C)cc1 ZINC000426396444 231213872 /nfs/dbraw/zinc/21/38/72/231213872.db2.gz LOQKVCUJWAQMLG-INIZCTEOSA-N 1 2 379.464 3.094 50 0 GGAALO Cc1[nH+]ccn1CC[C@H](NC(=O)N1CCC(c2nnc[nH]2)CC1)c1ccccc1 ZINC000426477479 231225136 /nfs/dbraw/zinc/22/51/36/231225136.db2.gz YVBGSHOMZWVKHD-IBGZPJMESA-N 1 2 393.495 3.030 50 0 GGAALO Cc1[nH+]ccn1CC[C@H](NC(=O)N1CCC(c2nc[nH]n2)CC1)c1ccccc1 ZINC000426477479 231225140 /nfs/dbraw/zinc/22/51/40/231225140.db2.gz YVBGSHOMZWVKHD-IBGZPJMESA-N 1 2 393.495 3.030 50 0 GGAALO COC(C)(C)CNC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426517715 231234663 /nfs/dbraw/zinc/23/46/63/231234663.db2.gz ZMIBJHZGWIUPMW-UHFFFAOYSA-N 1 2 377.510 3.066 50 0 GGAALO COC(C)(C)CNC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426517715 231234668 /nfs/dbraw/zinc/23/46/68/231234668.db2.gz ZMIBJHZGWIUPMW-UHFFFAOYSA-N 1 2 377.510 3.066 50 0 GGAALO COCCn1c[nH+]cc1CNC(=O)c1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000426604545 231246271 /nfs/dbraw/zinc/24/62/71/231246271.db2.gz PYSQMHYPOSHDFV-UHFFFAOYSA-N 1 2 377.444 3.061 50 0 GGAALO COc1ccc(-c2ccc(C(=O)NCC[C@H](C)n3cc[nH+]c3)cc2)cc1CO ZINC000426705571 231254294 /nfs/dbraw/zinc/25/42/94/231254294.db2.gz CTIHQQNHKCUKGC-INIZCTEOSA-N 1 2 379.460 3.432 50 0 GGAALO O=C(N1CCC(O)(Cn2cc[nH+]c2)CC1)[C@]1(c2ccccc2)CC12CCCC2 ZINC000426712811 231255597 /nfs/dbraw/zinc/25/55/97/231255597.db2.gz URAFRDWNUOQXKF-HSZRJFAPSA-N 1 2 379.504 3.139 50 0 GGAALO Cn1cc(C[NH+]2CCN(CCO)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000019333939 210241365 /nfs/dbraw/zinc/24/13/65/210241365.db2.gz JJLYKUBAZDSDJJ-UHFFFAOYSA-N 1 2 382.552 3.245 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)Cc4cc[nH]n4)csc3C2)nc1 ZINC000426727561 529642584 /nfs/dbraw/zinc/64/25/84/529642584.db2.gz WSELFFIWMZSGLL-UHFFFAOYSA-N 1 2 395.532 3.259 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)Cc4cc[nH]n4)csc3C2)nc1 ZINC000426727561 529642586 /nfs/dbraw/zinc/64/25/86/529642586.db2.gz WSELFFIWMZSGLL-UHFFFAOYSA-N 1 2 395.532 3.259 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCCC[C@@H]4CO)csc3C2)nc1 ZINC000426473352 529643175 /nfs/dbraw/zinc/64/31/75/529643175.db2.gz CNCYECXMZQNGCJ-GOSISDBHSA-N 1 2 399.560 3.251 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCCC[C@@H]4CO)csc3C2)nc1 ZINC000426473352 529643179 /nfs/dbraw/zinc/64/31/79/529643179.db2.gz CNCYECXMZQNGCJ-GOSISDBHSA-N 1 2 399.560 3.251 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC[C@@H]4CCOC4)csc3C2)nc1 ZINC000426420137 529644215 /nfs/dbraw/zinc/64/42/15/529644215.db2.gz OAAOSUUHZIGGRC-INIZCTEOSA-N 1 2 385.533 3.030 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NC[C@@H]4CCOC4)csc3C2)nc1 ZINC000426420137 529644218 /nfs/dbraw/zinc/64/42/18/529644218.db2.gz OAAOSUUHZIGGRC-INIZCTEOSA-N 1 2 385.533 3.030 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC[C@H]4CCCOC4)csc3C2)nc1 ZINC000426470549 529644517 /nfs/dbraw/zinc/64/45/17/529644517.db2.gz HBPVDLPIEJDTCQ-QGZVFWFLSA-N 1 2 399.560 3.420 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NC[C@H]4CCCOC4)csc3C2)nc1 ZINC000426470549 529644520 /nfs/dbraw/zinc/64/45/20/529644520.db2.gz HBPVDLPIEJDTCQ-QGZVFWFLSA-N 1 2 399.560 3.420 50 0 GGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccc(OC)c2)[C@@H](CCO)C1 ZINC000019222531 210234155 /nfs/dbraw/zinc/23/41/55/210234155.db2.gz FSLRUFCVTQOTQI-NRFANRHFSA-N 1 2 384.520 3.163 50 0 GGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2cccc(OC)c2)[C@@H](CCO)C1 ZINC000019222531 210234158 /nfs/dbraw/zinc/23/41/58/210234158.db2.gz FSLRUFCVTQOTQI-NRFANRHFSA-N 1 2 384.520 3.163 50 0 GGAALO CCOC(=O)C1(C[C@@H]2CCCCO2)CC[NH+](Cc2cnc(SC)nc2)CC1 ZINC000019148649 210229927 /nfs/dbraw/zinc/22/99/27/210229927.db2.gz SZFNFBLGXZLKNT-KRWDZBQOSA-N 1 2 393.553 3.303 50 0 GGAALO CSc1ccc(-c2nc(C[NH+]3CCN(c4nonc4C)CC3)c(C)o2)cc1 ZINC000019111156 210226059 /nfs/dbraw/zinc/22/60/59/210226059.db2.gz VJENVCJNDYNQRT-UHFFFAOYSA-N 1 2 385.493 3.386 50 0 GGAALO Cc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000018223137 210218149 /nfs/dbraw/zinc/21/81/49/210218149.db2.gz NFSIPJQNYDOJMP-LJQANCHMSA-N 1 2 399.498 3.419 50 0 GGAALO O=C1C[C@@H](c2cccs2)Cc2nc(N3CCN(c4cccc[nH+]4)CC3)ncc21 ZINC000018172914 210214139 /nfs/dbraw/zinc/21/41/39/210214139.db2.gz ZZCJHLITLZMZEC-HNNXBMFYSA-N 1 2 391.500 3.172 50 0 GGAALO CCc1[nH+]c2ccccc2n1CCC(=O)N(Cc1cocn1)Cc1cocn1 ZINC000426552031 529749538 /nfs/dbraw/zinc/74/95/38/529749538.db2.gz PGXQAIDODUTBKI-UHFFFAOYSA-N 1 2 379.420 3.194 50 0 GGAALO COc1cc(C[NH+]2CCN(c3ncccn3)CC2)ccc1OCc1ccccc1 ZINC000016663005 210193956 /nfs/dbraw/zinc/19/39/56/210193956.db2.gz KMOFJHBOZGKRQE-UHFFFAOYSA-N 1 2 390.487 3.386 50 0 GGAALO CNc1cc(C)[nH+]c(-c2ccc(C(=O)N3CCC([C@@H](C)COC)CC3)cc2)n1 ZINC000426662270 529834854 /nfs/dbraw/zinc/83/48/54/529834854.db2.gz PKKJMBBXMKHNLH-HNNXBMFYSA-N 1 2 382.508 3.050 50 0 GGAALO CCOC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000015856976 210173971 /nfs/dbraw/zinc/17/39/71/210173971.db2.gz CPYAMFBZBPIJHE-HXUWFJFHSA-N 1 2 390.524 3.248 50 0 GGAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCC[C@H]2C(N)=O)c(F)c1 ZINC000015073747 210150514 /nfs/dbraw/zinc/15/05/14/210150514.db2.gz ZTLRRVBDPDMLIM-FQEVSTJZSA-N 1 2 394.450 3.137 50 0 GGAALO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H]2C(N)=O)c(F)c1 ZINC000015073747 210150516 /nfs/dbraw/zinc/15/05/16/210150516.db2.gz ZTLRRVBDPDMLIM-FQEVSTJZSA-N 1 2 394.450 3.137 50 0 GGAALO CN(Cc1c[nH+]c2ccccn12)C(=O)c1coc(COc2cccc(F)c2)n1 ZINC000015072013 210147843 /nfs/dbraw/zinc/14/78/43/210147843.db2.gz JZCIFBGGHLBSKY-UHFFFAOYSA-N 1 2 380.379 3.313 50 0 GGAALO CCOC(=O)c1oc2c(cccc2C)c1C[NH+]1CCN(c2ncccn2)CC1 ZINC000015017625 210142943 /nfs/dbraw/zinc/14/29/43/210142943.db2.gz VVILOPJMYIVDFW-UHFFFAOYSA-N 1 2 380.448 3.030 50 0 GGAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3c(C)nn(C)c3Cl)C2)cc1OC ZINC000014968851 210136196 /nfs/dbraw/zinc/13/61/96/210136196.db2.gz VJQNZHBAYDQDEN-HNNXBMFYSA-N 1 2 391.899 3.494 50 0 GGAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3c(C)nn(C)c3Cl)C2)cc1OC ZINC000014968851 210136202 /nfs/dbraw/zinc/13/62/02/210136202.db2.gz VJQNZHBAYDQDEN-HNNXBMFYSA-N 1 2 391.899 3.494 50 0 GGAALO COc1ccc(O[C@H](C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000014400161 210116239 /nfs/dbraw/zinc/11/62/39/210116239.db2.gz AWFWGCCSRXDVLH-MBNRZODZSA-N 1 2 380.488 3.320 50 0 GGAALO COc1cccc(-c2nc(CC(=O)N3CCN(c4cccc[nH+]4)CC3)cs2)c1 ZINC000013693541 210081934 /nfs/dbraw/zinc/08/19/34/210081934.db2.gz FIHFVWFFAJPXAZ-UHFFFAOYSA-N 1 2 394.500 3.105 50 0 GGAALO O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)NCCc1ccc(Cl)cc1 ZINC000013323439 210056376 /nfs/dbraw/zinc/05/63/76/210056376.db2.gz LRBGTEINZINMFG-UHFFFAOYSA-N 1 2 392.330 3.474 50 0 GGAALO CCc1sc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1Br ZINC000013331151 210056517 /nfs/dbraw/zinc/05/65/17/210056517.db2.gz YVLSPBGZRPJXHV-UHFFFAOYSA-N 1 2 380.311 3.430 50 0 GGAALO COc1ccc(N=c2sc(C(C)=O)c(C)n2CCC[NH+]2CCOCC2)cc1 ZINC000004940145 209549040 /nfs/dbraw/zinc/54/90/40/209549040.db2.gz ILBPZEPIGLGYAA-MRCUWXFGSA-N 1 2 389.521 3.024 50 0 GGAALO CCOC(=O)c1sc(NC(=O)C[N@H+]2CCC[C@H](C)C2)c(C(=O)OCC)c1C ZINC000003564771 209445571 /nfs/dbraw/zinc/44/55/71/209445571.db2.gz ONTUIMJYSOQYDU-LBPRGKRZSA-N 1 2 396.509 3.080 50 0 GGAALO CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)c(C(=O)OCC)c1C ZINC000003564771 209445566 /nfs/dbraw/zinc/44/55/66/209445566.db2.gz ONTUIMJYSOQYDU-LBPRGKRZSA-N 1 2 396.509 3.080 50 0 GGAALO COc1ccc(N2C(=O)C[C@@H](SCCc3[nH]c4ccccc4[nH+]3)C2=O)cc1 ZINC000001123601 209303878 /nfs/dbraw/zinc/30/38/78/209303878.db2.gz WDKGGCIPCPZKFN-QGZVFWFLSA-N 1 2 381.457 3.179 50 0 GGAALO CCOc1ccc([C@@H]2C(C(=O)NC)=C(C)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000001080495 209298044 /nfs/dbraw/zinc/29/80/44/209298044.db2.gz FFIRDBLECIZUBJ-HXUWFJFHSA-N 1 2 392.459 3.479 50 0 GGAALO COc1cccc2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)oc21 ZINC000013729879 209235450 /nfs/dbraw/zinc/23/54/50/209235450.db2.gz LCKRSGPFDQHIOQ-UHFFFAOYSA-N 1 2 394.427 3.128 50 0 GGAALO COc1ccc(-c2cc3ccc(OCC[NH+]4CCOCC4)cc3oc2=O)cc1 ZINC000020588543 209235475 /nfs/dbraw/zinc/23/54/75/209235475.db2.gz GAQQAJHLBZKCOF-UHFFFAOYSA-N 1 2 381.428 3.180 50 0 GGAALO COc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1OC ZINC000020111780 209234913 /nfs/dbraw/zinc/23/49/13/209234913.db2.gz NOESGCLMTZTZJR-HNNXBMFYSA-N 1 2 399.443 3.243 50 0 biogenic GGAALO COc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1OC ZINC000020111780 209234916 /nfs/dbraw/zinc/23/49/16/209234916.db2.gz NOESGCLMTZTZJR-HNNXBMFYSA-N 1 2 399.443 3.243 50 0 biogenic GGAALO COc1ccc(C[NH2+][C@H]2CNC(=O)c3cc(-c4ccc(C)cc4C)nn32)cc1 ZINC000263617596 209225030 /nfs/dbraw/zinc/22/50/30/209225030.db2.gz OQRLZDGUTUPIER-OAQYLSRUSA-N 1 2 376.460 3.207 50 0 GGAALO O=C(C[C@H](c1cccc2ccccc21)n1cccc1)NCC[NH+]1CCOCC1 ZINC000263588197 209224385 /nfs/dbraw/zinc/22/43/85/209224385.db2.gz QIALNVBSFIQLKT-JOCHJYFZSA-N 1 2 377.488 3.069 50 0 GGAALO Cn1cc[nH+]c1[C@H](NC(=O)CC1(n2cccc2)CCOCC1)c1ccccc1 ZINC000263588353 209224398 /nfs/dbraw/zinc/22/43/98/209224398.db2.gz SELJDQFNIFKVPC-HXUWFJFHSA-N 1 2 378.476 3.023 50 0 GGAALO O=C(NC[C@H](c1ccco1)[NH+]1CCSCC1)c1ccc(C(F)(F)F)nc1 ZINC000245174515 209214503 /nfs/dbraw/zinc/21/45/03/209214503.db2.gz YQKGKSKNEIZOOQ-CYBMUJFWSA-N 1 2 385.411 3.213 50 0 GGAALO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)C1 ZINC000040120820 209195916 /nfs/dbraw/zinc/19/59/16/209195916.db2.gz KTNLIHHCRINKHN-KRWDZBQOSA-N 1 2 382.508 3.131 50 0 GGAALO CNC(=O)C1(NC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)CCCCC1 ZINC000299800573 212041145 /nfs/dbraw/zinc/04/11/45/212041145.db2.gz XMKAWIOQQVVWPD-UHFFFAOYSA-N 1 2 375.860 3.096 50 0 GGAALO COCCn1c[nH+]cc1CNC(=O)c1cccc(-c2cn(C(F)F)nc2C)c1 ZINC000299798303 212038960 /nfs/dbraw/zinc/03/89/60/212038960.db2.gz RHGBVDPASNWEHA-UHFFFAOYSA-N 1 2 389.406 3.027 50 0 GGAALO CCc1ccc(C[N@@H+]2CCOc3ccc(CN4CCC[C@H]4C(=O)OC)cc3C2)o1 ZINC000299794656 212038766 /nfs/dbraw/zinc/03/87/66/212038766.db2.gz LGZKKLFGPJUZRB-NRFANRHFSA-N 1 2 398.503 3.374 50 0 GGAALO CCc1ccc(C[N@H+]2CCOc3ccc(CN4CCC[C@H]4C(=O)OC)cc3C2)o1 ZINC000299794656 212038769 /nfs/dbraw/zinc/03/87/69/212038769.db2.gz LGZKKLFGPJUZRB-NRFANRHFSA-N 1 2 398.503 3.374 50 0 GGAALO Cn1ccc2ccc(C[N@@H+]3CCn4nc(CNC(=O)C5CCCC5)cc4C3)cc21 ZINC000299782353 212037841 /nfs/dbraw/zinc/03/78/41/212037841.db2.gz DOFMKJYPSFZHKW-UHFFFAOYSA-N 1 2 391.519 3.197 50 0 GGAALO Cn1ccc2ccc(C[N@H+]3CCn4nc(CNC(=O)C5CCCC5)cc4C3)cc21 ZINC000299782353 212037845 /nfs/dbraw/zinc/03/78/45/212037845.db2.gz DOFMKJYPSFZHKW-UHFFFAOYSA-N 1 2 391.519 3.197 50 0 GGAALO C[C@@H](CNC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCN(C)CC1 ZINC000299791343 212039653 /nfs/dbraw/zinc/03/96/53/212039653.db2.gz DCYRBLLYKXPRJQ-NSHDSACASA-N 1 2 378.826 3.116 50 0 GGAALO Cc1cc(C)c(CNC(=O)c2cccc(-c3ncc(C)c(N(C)C)n3)c2)c[nH+]1 ZINC000299786774 212036514 /nfs/dbraw/zinc/03/65/14/212036514.db2.gz NKURPLYZKNFAMO-UHFFFAOYSA-N 1 2 375.476 3.460 50 0 GGAALO CN(CCCc1[nH+]ccn1C)C(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1 ZINC000299786257 212036571 /nfs/dbraw/zinc/03/65/71/212036571.db2.gz JEHFIACVXGVZDA-LJQANCHMSA-N 1 2 386.496 3.465 50 0 GGAALO CCn1ccnc1C[N@@H+]1CCCN(c2nc(C)c3cc(C)c(C)cc3n2)CC1 ZINC000299770640 212035996 /nfs/dbraw/zinc/03/59/96/212035996.db2.gz XPKOGBMTITYKAP-UHFFFAOYSA-N 1 2 378.524 3.484 50 0 GGAALO CCn1ccnc1C[N@H+]1CCCN(c2nc(C)c3cc(C)c(C)cc3n2)CC1 ZINC000299770640 212035999 /nfs/dbraw/zinc/03/59/99/212035999.db2.gz XPKOGBMTITYKAP-UHFFFAOYSA-N 1 2 378.524 3.484 50 0 GGAALO Cc1[nH]c2c(cccc2C[N@@H+]2CCn3nc(CNC(=O)C4CCC4)cc3C2)c1C ZINC000299773437 212036021 /nfs/dbraw/zinc/03/60/21/212036021.db2.gz BAOWJFPUQHXEIU-UHFFFAOYSA-N 1 2 391.519 3.413 50 0 GGAALO Cc1[nH]c2c(cccc2C[N@H+]2CCn3nc(CNC(=O)C4CCC4)cc3C2)c1C ZINC000299773437 212036026 /nfs/dbraw/zinc/03/60/26/212036026.db2.gz BAOWJFPUQHXEIU-UHFFFAOYSA-N 1 2 391.519 3.413 50 0 GGAALO Cc1n[nH]c(C)c1-c1cccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000299759393 212033620 /nfs/dbraw/zinc/03/36/20/212033620.db2.gz HAUSLTICZVTBTL-UHFFFAOYSA-N 1 2 375.476 3.047 50 0 GGAALO O=C([O-])CC[C@H]1C[N@H+](Cc2ccc3ccccc3c2)CC[C@H]1[NH+]1CCOCC1 ZINC000299764810 212033043 /nfs/dbraw/zinc/03/30/43/212033043.db2.gz MBGYIBCEDABPFM-FCHUYYIVSA-N 1 2 382.504 3.227 50 0 GGAALO O=C([O-])CC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)CC[C@H]1[NH+]1CCOCC1 ZINC000299764810 212033046 /nfs/dbraw/zinc/03/30/46/212033046.db2.gz MBGYIBCEDABPFM-FCHUYYIVSA-N 1 2 382.504 3.227 50 0 GGAALO O[C@H](c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)OCO3)CCO2)c1ccccn1 ZINC000299759823 212032514 /nfs/dbraw/zinc/03/25/14/212032514.db2.gz NOYFSDKHJZFGPR-HSZRJFAPSA-N 1 2 390.439 3.287 50 0 GGAALO O[C@H](c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)OCO3)CCO2)c1ccccn1 ZINC000299759823 212032518 /nfs/dbraw/zinc/03/25/18/212032518.db2.gz NOYFSDKHJZFGPR-HSZRJFAPSA-N 1 2 390.439 3.287 50 0 GGAALO CCn1cc(C[N@@H+]2CCOc3ccc([C@H](O)c4ccccn4)cc3C2)c(C)n1 ZINC000299755079 212031862 /nfs/dbraw/zinc/03/18/62/212031862.db2.gz CIARKIQIIKSPOB-QFIPXVFZSA-N 1 2 378.476 3.083 50 0 GGAALO CCn1cc(C[N@H+]2CCOc3ccc([C@H](O)c4ccccn4)cc3C2)c(C)n1 ZINC000299755079 212031868 /nfs/dbraw/zinc/03/18/68/212031868.db2.gz CIARKIQIIKSPOB-QFIPXVFZSA-N 1 2 378.476 3.083 50 0 GGAALO O=C(NCc1ncc(C(F)(F)F)cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000263639794 212031579 /nfs/dbraw/zinc/03/15/79/212031579.db2.gz JABANJBRSOAFHR-UHFFFAOYSA-N 1 2 399.804 3.181 50 0 GGAALO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCC(Oc3cc[nH+]cc3)CC2)C1 ZINC000252503944 211985923 /nfs/dbraw/zinc/98/59/23/211985923.db2.gz VHKJKASXOKZJBB-MRXNPFEDSA-N 1 2 389.496 3.099 50 0 GGAALO CCn1ccc(C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)cc1=O ZINC000216151599 211741890 /nfs/dbraw/zinc/74/18/90/211741890.db2.gz RPZJWMVDNAHXIW-UHFFFAOYSA-N 1 2 378.476 3.448 50 0 GGAALO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000101221873 211397196 /nfs/dbraw/zinc/39/71/96/211397196.db2.gz LSGCURXUUXADFZ-OKYOBFRVSA-N 1 2 394.858 3.175 50 0 GGAALO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000101221873 211397197 /nfs/dbraw/zinc/39/71/97/211397197.db2.gz LSGCURXUUXADFZ-OKYOBFRVSA-N 1 2 394.858 3.175 50 0 GGAALO Cc1cc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)no1 ZINC000100188369 211384709 /nfs/dbraw/zinc/38/47/09/211384709.db2.gz MAAFYGBTMCQWFS-OAHLLOKOSA-N 1 2 396.472 3.104 50 0 GGAALO CCOC(=O)c1ccc(N2C(=O)C[C@@H](n3c(C)[nH+]c4ccccc43)C2=O)cc1 ZINC000100144214 211384416 /nfs/dbraw/zinc/38/44/16/211384416.db2.gz PUIXYCPLHPNAHP-GOSISDBHSA-N 1 2 377.400 3.026 50 0 GGAALO COc1ccc(N2C(=O)C[C@H](SCCc3[nH]c4ccccc4[nH+]3)C2=O)cc1 ZINC000100167023 211383983 /nfs/dbraw/zinc/38/39/83/211383983.db2.gz WDKGGCIPCPZKFN-KRWDZBQOSA-N 1 2 381.457 3.179 50 0 GGAALO C[N@@H+]1CCc2n[nH]c(C(=O)NCCCSCc3ccccc3Cl)c2C1 ZINC000097681822 211370717 /nfs/dbraw/zinc/37/07/17/211370717.db2.gz HVCFCZCAWWOSAJ-UHFFFAOYSA-N 1 2 378.929 3.104 50 0 GGAALO C[N@H+]1CCc2n[nH]c(C(=O)NCCCSCc3ccccc3Cl)c2C1 ZINC000097681822 211370723 /nfs/dbraw/zinc/37/07/23/211370723.db2.gz HVCFCZCAWWOSAJ-UHFFFAOYSA-N 1 2 378.929 3.104 50 0 GGAALO COc1cc(-c2cc(C(=O)N3CC[NH+](C)CC3)ccn2)cc(C(F)(F)F)c1 ZINC000097698834 211370479 /nfs/dbraw/zinc/37/04/79/211370479.db2.gz RLQGUQYVKHVHDS-UHFFFAOYSA-N 1 2 379.382 3.164 50 0 GGAALO O=C(NC[C@H](c1cccnc1)[NH+]1CCCCC1)c1cc(=O)c2cccc(F)c2[nH]1 ZINC000097528850 211367431 /nfs/dbraw/zinc/36/74/31/211367431.db2.gz ZGWVNSPDDLLSSE-LJQANCHMSA-N 1 2 394.450 3.019 50 0 GGAALO O=C(NC[C@@H](c1cccnc1)[NH+]1CCCCC1)c1cc(=O)c2cccc(F)c2[nH]1 ZINC000097528849 211366529 /nfs/dbraw/zinc/36/65/29/211366529.db2.gz ZGWVNSPDDLLSSE-IBGZPJMESA-N 1 2 394.450 3.019 50 0 GGAALO CCc1nc2ccc(NC(=O)N[C@H]3CCC[N@H+](Cc4cccnc4)C3)cc2[nH]1 ZINC000097288898 211362360 /nfs/dbraw/zinc/36/23/60/211362360.db2.gz BAMSECGSHNVLQT-KRWDZBQOSA-N 1 2 378.480 3.306 50 0 GGAALO CCc1nc2ccc(NC(=O)N[C@H]3CCC[N@@H+](Cc4cccnc4)C3)cc2[nH]1 ZINC000097288898 211362365 /nfs/dbraw/zinc/36/23/65/211362365.db2.gz BAMSECGSHNVLQT-KRWDZBQOSA-N 1 2 378.480 3.306 50 0 GGAALO CCn1c(Cn2cccn2)nnc1C1CC[NH+](Cc2coc(C(C)C)n2)CC1 ZINC000096163836 211317022 /nfs/dbraw/zinc/31/70/22/211317022.db2.gz PJQOMNPBCHJTCG-UHFFFAOYSA-N 1 2 383.500 3.034 50 0 GGAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2ccccc2SC)CC1 ZINC000096166854 211316870 /nfs/dbraw/zinc/31/68/70/211316870.db2.gz LNWQNOQBVBSTKJ-UHFFFAOYSA-N 1 2 387.553 3.101 50 0 GGAALO O=C(Nc1cc(Cl)ccc1-n1cncn1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000096152101 211312307 /nfs/dbraw/zinc/31/23/07/211312307.db2.gz MFZHJBYSBLTTNG-CQSZACIVSA-N 1 2 385.859 3.061 50 0 GGAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2cc(C)ccc2Cl)CC1 ZINC000096153317 211311797 /nfs/dbraw/zinc/31/17/97/211311797.db2.gz XMVCEJCFKDGSHE-UHFFFAOYSA-N 1 2 389.931 3.341 50 0 GGAALO CCn1c(C[NH+](C)C)nnc1C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000096148678 211310228 /nfs/dbraw/zinc/31/02/28/211310228.db2.gz DSAIYQIOTDGBRE-UHFFFAOYSA-N 1 2 381.933 3.094 50 0 GGAALO O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCCCCc1[nH]c2ccccc2[nH+]1 ZINC000096230730 211321921 /nfs/dbraw/zinc/32/19/21/211321921.db2.gz HUVYNNIKRWPOPO-IBGZPJMESA-N 1 2 392.459 3.182 50 0 GGAALO O=C(C[C@H]1Oc2ccccc2NC1=O)NCCCCCc1[nH]c2ccccc2[nH+]1 ZINC000096230729 211321492 /nfs/dbraw/zinc/32/14/92/211321492.db2.gz HUVYNNIKRWPOPO-LJQANCHMSA-N 1 2 392.459 3.182 50 0 GGAALO COC(=O)C[C@@H](c1cc2c(c(Cl)c1)OCO2)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096223523 211319594 /nfs/dbraw/zinc/31/95/94/211319594.db2.gz ZVSMWNSCGJWCEX-VIFPVBQESA-N 1 2 392.820 3.474 50 0 GGAALO O=C(C[C@H]1NC(=O)c2ccccc21)NCCCCCc1[nH]c2ccccc2[nH+]1 ZINC000096118630 211302248 /nfs/dbraw/zinc/30/22/48/211302248.db2.gz OEYWQFXZGFMAON-LJQANCHMSA-N 1 2 376.460 3.267 50 0 GGAALO O=C(Nc1cc(F)ccc1Cl)N1CC[N@H+](Cc2ccco2)[C@@H](CCO)C1 ZINC000096141977 211307631 /nfs/dbraw/zinc/30/76/31/211307631.db2.gz MDRLCCOVKQFUSQ-AWEZNQCLSA-N 1 2 381.835 3.173 50 0 GGAALO O=C(Nc1cc(F)ccc1Cl)N1CC[N@@H+](Cc2ccco2)[C@@H](CCO)C1 ZINC000096141977 211307634 /nfs/dbraw/zinc/30/76/34/211307634.db2.gz MDRLCCOVKQFUSQ-AWEZNQCLSA-N 1 2 381.835 3.173 50 0 GGAALO COc1ccc2c(c1)CCN(C(=O)Nc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000096136441 211307212 /nfs/dbraw/zinc/30/72/12/211307212.db2.gz CPNPODQYECQZAW-UHFFFAOYSA-N 1 2 381.476 3.118 50 0 GGAALO CC[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 ZINC000096139181 211305708 /nfs/dbraw/zinc/30/57/08/211305708.db2.gz WQNNWZBQGDBDJB-SFHVURJKSA-N 1 2 383.496 3.500 50 0 GGAALO CN1CC2(CC[NH+](Cc3nnc(C4CC4)o3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000096132390 211305178 /nfs/dbraw/zinc/30/51/78/211305178.db2.gz CFYYMAFBDYLGSW-SFHVURJKSA-N 1 2 380.492 3.175 50 0 GGAALO Cc1ccc(O)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095517193 211264190 /nfs/dbraw/zinc/26/41/90/211264190.db2.gz BCDBWQGLCNPHQG-OAHLLOKOSA-N 1 2 382.489 3.422 50 0 GGAALO COc1cc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc(OC)c1O ZINC000095536490 211276926 /nfs/dbraw/zinc/27/69/26/211276926.db2.gz HIOVZJDYCPIJRR-UHFFFAOYSA-N 1 2 376.884 3.381 50 0 GGAALO COc1cc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc(OC)c1O ZINC000095536490 211276929 /nfs/dbraw/zinc/27/69/29/211276929.db2.gz HIOVZJDYCPIJRR-UHFFFAOYSA-N 1 2 376.884 3.381 50 0 GGAALO O=C(c1cncc(Cl)c1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095531156 211276021 /nfs/dbraw/zinc/27/60/21/211276021.db2.gz VMQOEWRFKFIHKD-OAHLLOKOSA-N 1 2 381.867 3.395 50 0 GGAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000095530105 211275148 /nfs/dbraw/zinc/27/51/48/211275148.db2.gz SXYJRRQFJAPTIY-HSZRJFAPSA-N 1 2 387.439 3.187 50 0 GGAALO O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095530342 211274744 /nfs/dbraw/zinc/27/47/44/211274744.db2.gz GUWPQDMAXFNYSJ-AWEZNQCLSA-N 1 2 382.493 3.008 50 0 GGAALO Cc1nnc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nnc(C)s4)c3)CC2)o1 ZINC000095529219 211273794 /nfs/dbraw/zinc/27/37/94/211273794.db2.gz IKGUYWKFMRSDAE-UHFFFAOYSA-N 1 2 398.492 3.056 50 0 GGAALO O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095530129 211273779 /nfs/dbraw/zinc/27/37/79/211273779.db2.gz SDGBSSVWRCGYQR-GOSISDBHSA-N 1 2 378.451 3.414 50 0 GGAALO O=C(c1n[nH]c2ccccc21)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095526733 211273099 /nfs/dbraw/zinc/27/30/99/211273099.db2.gz NNCGKXATONWZRI-INIZCTEOSA-N 1 2 386.459 3.223 50 0 GGAALO CCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1nc3c(s1)CCCC3)CC2 ZINC000095527778 211273211 /nfs/dbraw/zinc/27/32/11/211273211.db2.gz OXOFWSXGOYCKNL-UHFFFAOYSA-N 1 2 399.564 3.031 50 0 GGAALO COCCn1cc[nH+]c1C1CCN(C(=O)c2ccc3cccc(F)c3n2)CC1 ZINC000095525622 211273009 /nfs/dbraw/zinc/27/30/09/211273009.db2.gz ICBMEKKNOFYQHF-UHFFFAOYSA-N 1 2 382.439 3.237 50 0 GGAALO O=C(CSC(F)(F)F)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095516944 211263653 /nfs/dbraw/zinc/26/36/53/211263653.db2.gz DHAGTOHEBPZZPV-CQSZACIVSA-N 1 2 384.427 3.285 50 0 GGAALO CN(CC(=O)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1)c1ccccc1 ZINC000095524719 211271053 /nfs/dbraw/zinc/27/10/53/211271053.db2.gz GOXPFYCCFNRKMG-UHFFFAOYSA-N 1 2 389.503 3.169 50 0 GGAALO COc1cccc(F)c1C(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095522762 211270489 /nfs/dbraw/zinc/27/04/89/211270489.db2.gz LLSGJUUJFQEKIK-UHFFFAOYSA-N 1 2 394.450 3.494 50 0 GGAALO COc1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)c1 ZINC000095524078 211270138 /nfs/dbraw/zinc/27/01/38/211270138.db2.gz KRCUIDOHYXGDMG-LJQANCHMSA-N 1 2 376.460 3.355 50 0 GGAALO Cc1ccccc1OCC(=O)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095524628 211269982 /nfs/dbraw/zinc/26/99/82/211269982.db2.gz DSOMYNNYZSBYCB-UHFFFAOYSA-N 1 2 390.487 3.420 50 0 GGAALO Cc1nnc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)[nH]1 ZINC000095524945 211269750 /nfs/dbraw/zinc/26/97/50/211269750.db2.gz OCVYFDNUFRGGOH-UHFFFAOYSA-N 1 2 382.493 3.087 50 0 GGAALO CSc1ncccc1C(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095524869 211269599 /nfs/dbraw/zinc/26/95/99/211269599.db2.gz VLEJSLWFLPUPEV-INIZCTEOSA-N 1 2 393.516 3.463 50 0 GGAALO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)ccc1O ZINC000095523746 211269155 /nfs/dbraw/zinc/26/91/55/211269155.db2.gz VBWAZZXAPZKEGW-INIZCTEOSA-N 1 2 382.489 3.422 50 0 GGAALO O=C(Cc1ccc(O)cc1)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095520920 211268200 /nfs/dbraw/zinc/26/82/00/211268200.db2.gz IEVLZNFXQMQUKC-MRXNPFEDSA-N 1 2 382.489 3.042 50 0 GGAALO CCCn1ncc(C(=O)N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)c1C ZINC000095519604 211267292 /nfs/dbraw/zinc/26/72/92/211267292.db2.gz ZNINIHFPRSVKCX-UHFFFAOYSA-N 1 2 392.507 3.261 50 0 GGAALO O=C(c1cnc(C2CC2)nc1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095519340 211265428 /nfs/dbraw/zinc/26/54/28/211265428.db2.gz MCPQSGSPQFMOJQ-SFHVURJKSA-N 1 2 388.475 3.014 50 0 GGAALO CCc1noc(C)c1C(=O)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095519242 211265096 /nfs/dbraw/zinc/26/50/96/211265096.db2.gz KEOCMAXCGFFBRL-AWEZNQCLSA-N 1 2 385.493 3.267 50 0 GGAALO O=C(CCc1cccnc1)N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000095498084 211251467 /nfs/dbraw/zinc/25/14/67/211251467.db2.gz DGQOMCLMAJFMQW-UHFFFAOYSA-N 1 2 381.505 3.122 50 0 GGAALO O=C(N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1)C1(Cn2cccn2)CC1 ZINC000095517281 211263456 /nfs/dbraw/zinc/26/34/56/211263456.db2.gz DFHDEEHUQQEREZ-UHFFFAOYSA-N 1 2 389.503 3.314 50 0 GGAALO O=C(c1cn2ccccc2n1)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095517375 211263518 /nfs/dbraw/zinc/26/35/18/211263518.db2.gz OWEDPNUBEMGUSM-HNNXBMFYSA-N 1 2 392.488 3.055 50 0 GGAALO O=C(NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)c1ccc(-c2ccccc2)cc1 ZINC000095515340 211262430 /nfs/dbraw/zinc/26/24/30/211262430.db2.gz ZNAPJLNSXXVDQP-KRWDZBQOSA-N 1 2 376.460 3.379 50 0 GGAALO O=C(NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)c1ccc(-c2ccccc2)cc1 ZINC000095515340 211262432 /nfs/dbraw/zinc/26/24/32/211262432.db2.gz ZNAPJLNSXXVDQP-KRWDZBQOSA-N 1 2 376.460 3.379 50 0 GGAALO O=C(CCc1cccnc1)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095512978 211262125 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GGAALO COCCn1cc[nH+]c1C1CCN(C(=O)CCc2ccc(F)c(F)c2)CC1 ZINC000095508351 211260447 /nfs/dbraw/zinc/26/04/47/211260447.db2.gz BBKGBBLAWMKBSI-UHFFFAOYSA-N 1 2 377.435 3.147 50 0 GGAALO O=C(NCc1ccccc1)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095509746 211259484 /nfs/dbraw/zinc/25/94/84/211259484.db2.gz FPEWEMNHZXMFBG-UHFFFAOYSA-N 1 2 375.476 3.416 50 0 GGAALO CC(C)n1cc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)cn1 ZINC000095505198 211258394 /nfs/dbraw/zinc/25/83/94/211258394.db2.gz WGYQBUKQYKBYPL-UHFFFAOYSA-N 1 2 378.480 3.124 50 0 GGAALO O=C(NC[C@@H]1CCC[N@H+](Cc2noc(-c3ccco3)n2)C1)c1ccc(F)cc1 ZINC000095506205 211258418 /nfs/dbraw/zinc/25/84/18/211258418.db2.gz NQFGSRQJXGPQKN-AWEZNQCLSA-N 1 2 384.411 3.111 50 0 GGAALO O=C(NC[C@@H]1CCC[N@@H+](Cc2noc(-c3ccco3)n2)C1)c1ccc(F)cc1 ZINC000095506205 211258423 /nfs/dbraw/zinc/25/84/23/211258423.db2.gz NQFGSRQJXGPQKN-AWEZNQCLSA-N 1 2 384.411 3.111 50 0 GGAALO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](Cc4nnc(C)o4)CC3)cc2)n1 ZINC000095507189 211257769 /nfs/dbraw/zinc/25/77/69/211257769.db2.gz KZCFBWUWEARTHA-UHFFFAOYSA-N 1 2 394.479 3.031 50 0 GGAALO O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095505980 211257091 /nfs/dbraw/zinc/25/70/91/211257091.db2.gz XXCMJBJMHJCZDA-SFHVURJKSA-N 1 2 381.476 3.474 50 0 GGAALO O=C(CCCN1CCCCC1=O)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095505901 211257163 /nfs/dbraw/zinc/25/71/63/211257163.db2.gz QIIHAGMGEQQYPZ-LJQANCHMSA-N 1 2 386.540 3.182 50 0 GGAALO CCCCn1cc[nH+]c1[C@H]1CCCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C1 ZINC000095505824 211257024 /nfs/dbraw/zinc/25/70/24/211257024.db2.gz KCOPVDPPIOIGKK-SFHVURJKSA-N 1 2 389.521 3.454 50 0 GGAALO COCCn1cc[nH+]c1C1CCN(C(=O)c2conc2-c2ccccc2)CC1 ZINC000095505019 211256804 /nfs/dbraw/zinc/25/68/04/211256804.db2.gz IPIYJTLWRNAXPJ-UHFFFAOYSA-N 1 2 380.448 3.204 50 0 GGAALO O=C(CCc1cccnc1)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095503071 211255264 /nfs/dbraw/zinc/25/52/64/211255264.db2.gz RHYMHKCKOBXOOK-FQEVSTJZSA-N 1 2 375.476 3.060 50 0 GGAALO CC(C)c1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)on1 ZINC000095502792 211255402 /nfs/dbraw/zinc/25/54/02/211255402.db2.gz YSTCDCOTIPKLKL-MRXNPFEDSA-N 1 2 379.464 3.458 50 0 GGAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)nc2)C1 ZINC000095503368 211254687 /nfs/dbraw/zinc/25/46/87/211254687.db2.gz LRTKIXYKCTUVLU-SFHVURJKSA-N 1 2 391.475 3.006 50 0 GGAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc3cccc(F)c3n2)C1 ZINC000095501213 211253999 /nfs/dbraw/zinc/25/39/99/211253999.db2.gz LVRGELCFQMHASB-MRXNPFEDSA-N 1 2 382.439 3.237 50 0 GGAALO CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(c1nc3ccccc3s1)CC2 ZINC000095498847 211253290 /nfs/dbraw/zinc/25/32/90/211253290.db2.gz PQUJORWLMYKSDY-UHFFFAOYSA-N 1 2 381.505 3.310 50 0 GGAALO Cc1ccc(O)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)c1 ZINC000095501217 211253307 /nfs/dbraw/zinc/25/33/07/211253307.db2.gz UTLOWLBZJUWQHP-GOSISDBHSA-N 1 2 376.460 3.360 50 0 GGAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)c2cnc3c(F)cccc3c2O)C1 ZINC000095499251 211252699 /nfs/dbraw/zinc/25/26/99/211252699.db2.gz PYEFRYBRMHMSID-AWEZNQCLSA-N 1 2 382.439 3.464 50 0 GGAALO CC(C)c1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)no1 ZINC000095392468 211236594 /nfs/dbraw/zinc/23/65/94/211236594.db2.gz HMPJCCGSBZBUFK-KRWDZBQOSA-N 1 2 379.464 3.458 50 0 GGAALO Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@@H](Cc2ccc(CO)cc2)C1 ZINC000095388687 211237938 /nfs/dbraw/zinc/23/79/38/211237938.db2.gz KTZBTFOSVIXBEN-FQEVSTJZSA-N 1 2 377.488 3.318 50 0 GGAALO O=C(Cc1ccccc1F)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095497264 211250125 /nfs/dbraw/zinc/25/01/25/211250125.db2.gz CXOITDSPOPZTDT-UHFFFAOYSA-N 1 2 378.451 3.414 50 0 GGAALO O=C(c1cc(-c2ccc(Cl)cc2)n[nH]1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000095478770 211248409 /nfs/dbraw/zinc/24/84/09/211248409.db2.gz SGJVSNJQSWVXLY-UHFFFAOYSA-N 1 2 395.894 3.126 50 0 GGAALO Cc1noc(C)c1C(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095357916 211224300 /nfs/dbraw/zinc/22/43/00/211224300.db2.gz MXPCGQZEPJJWCP-CWFSZBLJSA-N 1 2 387.430 3.272 50 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ZINC000091908123 211211017 /nfs/dbraw/zinc/21/10/17/211211017.db2.gz YEMDEFKTWLGOMO-MRXNPFEDSA-N 1 2 379.460 3.098 50 0 GGAALO Cc1ccc(C[N@@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)c(F)c1F ZINC000091943635 211210826 /nfs/dbraw/zinc/21/08/26/211210826.db2.gz ASPOGEUAHWFGAT-UHFFFAOYSA-N 1 2 388.462 3.292 50 0 GGAALO Cc1ccc(C[N@H+]2CCCn3nc(CNC(=O)C4CCC4)cc3C2)c(F)c1F ZINC000091943635 211210828 /nfs/dbraw/zinc/21/08/28/211210828.db2.gz ASPOGEUAHWFGAT-UHFFFAOYSA-N 1 2 388.462 3.292 50 0 GGAALO O=C(c1cc(-c2ccccc2O)n[nH]1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000091871558 211209542 /nfs/dbraw/zinc/20/95/42/211209542.db2.gz ARHDDKKAOMOQAR-RMKNXTFCSA-N 1 2 388.471 3.254 50 0 GGAALO COc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)cc1 ZINC000091943286 211209298 /nfs/dbraw/zinc/20/92/98/211209298.db2.gz UVQZGTNUUGVBGB-SFHVURJKSA-N 1 2 376.460 3.355 50 0 GGAALO CC(C)(C)COC(=O)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000092081159 211216419 /nfs/dbraw/zinc/21/64/19/211216419.db2.gz VAOLVBZGRNSVPK-UHFFFAOYSA-N 1 2 390.528 3.161 50 0 GGAALO Cc1cc2[nH]c(CCC(=O)N3CCC[C@H](CCC(=O)N(C)C)C3)[nH+]c2cc1C ZINC000092077355 211214776 /nfs/dbraw/zinc/21/47/76/211214776.db2.gz AZZYEYZJZVYWOX-QGZVFWFLSA-N 1 2 384.524 3.219 50 0 GGAALO COc1cccc2c1OCCCN(C(=O)Cn1cc[nH+]c1-c1ccccc1)C2 ZINC000091665845 211204270 /nfs/dbraw/zinc/20/42/70/211204270.db2.gz WUVOHLNPZMUGKD-UHFFFAOYSA-N 1 2 377.444 3.370 50 0 GGAALO Cc1ccc(C)c(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)c1 ZINC000091707579 211202359 /nfs/dbraw/zinc/20/23/59/211202359.db2.gz QUOQIYYIYAFFOL-UHFFFAOYSA-N 1 2 394.519 3.114 50 0 GGAALO Cc1ccc(C)c(C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)c1 ZINC000091707579 211202364 /nfs/dbraw/zinc/20/23/64/211202364.db2.gz QUOQIYYIYAFFOL-UHFFFAOYSA-N 1 2 394.519 3.114 50 0 GGAALO COc1nc2c(cc1C(=O)N[C@@H](CCn1cc[nH+]c1)c1ccccc1)CCC2 ZINC000091663270 211202015 /nfs/dbraw/zinc/20/20/15/211202015.db2.gz NHWHQQKHPMMQRP-FQEVSTJZSA-N 1 2 376.460 3.337 50 0 GGAALO CC(C)c1cc(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)no1 ZINC000091636949 211199543 /nfs/dbraw/zinc/19/95/43/211199543.db2.gz IFRVJGDZBHBORF-UHFFFAOYSA-N 1 2 379.464 3.458 50 0 GGAALO CC[C@H](C)N(C)C(=O)c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000091793495 211207630 /nfs/dbraw/zinc/20/76/30/211207630.db2.gz NMNVTSVTUXDJIP-BLRBJFNZSA-N 1 2 396.535 3.376 50 0 GGAALO COc1cccc(-c2cc(C(=O)N3CC[N@H+](C)[C@@H](c4ccccc4)C3)[nH]n2)c1 ZINC000091745708 211205271 /nfs/dbraw/zinc/20/52/71/211205271.db2.gz XPWUXTXCUOQBMO-OAQYLSRUSA-N 1 2 376.460 3.214 50 0 GGAALO COc1cccc(-c2cc(C(=O)N3CC[N@@H+](C)[C@@H](c4ccccc4)C3)[nH]n2)c1 ZINC000091745708 211205276 /nfs/dbraw/zinc/20/52/76/211205276.db2.gz XPWUXTXCUOQBMO-OAQYLSRUSA-N 1 2 376.460 3.214 50 0 GGAALO O=C(c1c2ccccc2nc2c1C[N@H+](Cc1ccccc1)CC2)N1CCOCC1 ZINC000091297423 211190975 /nfs/dbraw/zinc/19/09/75/211190975.db2.gz SPYMQKUTHFLOAK-UHFFFAOYSA-N 1 2 387.483 3.266 50 0 GGAALO O=C(c1c2ccccc2nc2c1C[N@@H+](Cc1ccccc1)CC2)N1CCOCC1 ZINC000091297423 211190978 /nfs/dbraw/zinc/19/09/78/211190978.db2.gz SPYMQKUTHFLOAK-UHFFFAOYSA-N 1 2 387.483 3.266 50 0 GGAALO O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082108950 211161976 /nfs/dbraw/zinc/16/19/76/211161976.db2.gz NLXQSZYZNVKJRH-QGZVFWFLSA-N 1 2 375.476 3.163 50 0 GGAALO NC(=O)COc1ccc(-c2[nH+]ccn2[C@@H]2COc3ccccc3C2)cc1Cl ZINC000082121971 211161700 /nfs/dbraw/zinc/16/17/00/211161700.db2.gz YOGIGKGEZUSREF-HNNXBMFYSA-N 1 2 383.835 3.244 50 0 GGAALO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 ZINC000082098190 211159878 /nfs/dbraw/zinc/15/98/78/211159878.db2.gz KSPYEEDUEREHHC-INIZCTEOSA-N 1 2 381.455 3.381 50 0 GGAALO O=C(Cn1ccc2c1cccc2Cl)N1CC[NH+](CCc2ccccn2)CC1 ZINC000079489540 211157671 /nfs/dbraw/zinc/15/76/71/211157671.db2.gz BZHFUCAUYPVMRY-UHFFFAOYSA-N 1 2 382.895 3.077 50 0 GGAALO Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccc4ccccc4c3)ncn2)c1C ZINC000082230692 211164223 /nfs/dbraw/zinc/16/42/23/211164223.db2.gz BUPBHLSWBYSPBI-UHFFFAOYSA-N 1 2 386.459 3.274 50 0 GGAALO Cc1cccc2c(C[N@H+]3CCn4nc(CNC(=O)N(C)C)cc4C3)cccc12 ZINC000082146973 211162616 /nfs/dbraw/zinc/16/26/16/211162616.db2.gz ICVUZLQIDDUHEL-UHFFFAOYSA-N 1 2 377.492 3.132 50 0 GGAALO Cc1cccc2c(C[N@@H+]3CCn4nc(CNC(=O)N(C)C)cc4C3)cccc12 ZINC000082146973 211162619 /nfs/dbraw/zinc/16/26/19/211162619.db2.gz ICVUZLQIDDUHEL-UHFFFAOYSA-N 1 2 377.492 3.132 50 0 GGAALO C[C@@H](Cc1ccc2c(c1)OCO2)c1[nH+]ccn1-c1ccc2c(c1)NC(=O)CO2 ZINC000077564222 211137476 /nfs/dbraw/zinc/13/74/76/211137476.db2.gz DSKPWJVOXRNCPX-ZDUSSCGKSA-N 1 2 377.400 3.278 50 0 GGAALO COc1ccc2[nH]nc(C[N@@H+]3CCC[C@@]4(CCC(=O)N(CC5CC5)C4)C3)c2c1 ZINC000077457338 211135345 /nfs/dbraw/zinc/13/53/45/211135345.db2.gz NHLNGMQHJZCOKZ-JOCHJYFZSA-N 1 2 382.508 3.186 50 0 GGAALO COc1ccc2[nH]nc(C[N@H+]3CCC[C@@]4(CCC(=O)N(CC5CC5)C4)C3)c2c1 ZINC000077457338 211135346 /nfs/dbraw/zinc/13/53/46/211135346.db2.gz NHLNGMQHJZCOKZ-JOCHJYFZSA-N 1 2 382.508 3.186 50 0 GGAALO COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1[nH]c[nH+]c1C ZINC000077484925 211134894 /nfs/dbraw/zinc/13/48/94/211134894.db2.gz APDRMUGANCUQJG-RXVVDRJESA-N 1 2 388.471 3.383 50 0 GGAALO COc1ccc(-c2[nH+]ccn2C2CCN(S(C)(=O)=O)CC2)c2ccccc12 ZINC000077470450 211134319 /nfs/dbraw/zinc/13/43/19/211134319.db2.gz IPCYZENYJJHCDR-UHFFFAOYSA-N 1 2 385.489 3.308 50 0 GGAALO Cc1nn(C)c2nc(-c3ccccn3)nc(N[C@H](c3[nH+]ccn3C)C(C)C)c12 ZINC000072476417 211124842 /nfs/dbraw/zinc/12/48/42/211124842.db2.gz VRVLGOSDODPXEK-INIZCTEOSA-N 1 2 376.468 3.276 50 0 GGAALO Cc1ccc(F)c(C(=O)N2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)c1F ZINC000072480621 211124715 /nfs/dbraw/zinc/12/47/15/211124715.db2.gz XLYHRIMNCZXJRF-QGZVFWFLSA-N 1 2 392.421 3.121 50 0 GGAALO Cc1ccc(F)c(C(=O)N2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)c1F ZINC000072480621 211124718 /nfs/dbraw/zinc/12/47/18/211124718.db2.gz XLYHRIMNCZXJRF-QGZVFWFLSA-N 1 2 392.421 3.121 50 0 GGAALO COc1ccccc1-c1nc2c(OC)ccc(OC)c2cc1C[NH+]1CC(O)C1 ZINC000072470273 211122959 /nfs/dbraw/zinc/12/29/59/211122959.db2.gz SRJLWDYRUFHJEH-UHFFFAOYSA-N 1 2 380.444 3.104 50 0 GGAALO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@H+]1CCOC[C@H]1CO ZINC000072453960 211120929 /nfs/dbraw/zinc/12/09/29/211120929.db2.gz PJLLVYONQGVGEP-GOSISDBHSA-N 1 2 399.441 3.319 50 0 GGAALO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+]1CCOC[C@H]1CO ZINC000072453960 211120927 /nfs/dbraw/zinc/12/09/27/211120927.db2.gz PJLLVYONQGVGEP-GOSISDBHSA-N 1 2 399.441 3.319 50 0 GGAALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(NC(=O)c3ncccn3)cc2)n1 ZINC000072438088 211120133 /nfs/dbraw/zinc/12/01/33/211120133.db2.gz LFPHEJBVWBBRIS-UHFFFAOYSA-N 1 2 377.452 3.417 50 0 GGAALO Cc1[nH+]cn(-c2cc(NCCNC(=O)Nc3cc(C)cc(C)c3)ncn2)c1C ZINC000072441642 211119811 /nfs/dbraw/zinc/11/98/11/211119811.db2.gz UAUOVYLHDYZJSE-UHFFFAOYSA-N 1 2 379.468 3.130 50 0 GGAALO O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000072442298 211119848 /nfs/dbraw/zinc/11/98/48/211119848.db2.gz WWWGGXZOAJSPDE-UHFFFAOYSA-N 1 2 378.394 3.468 50 0 GGAALO CC(C)Sc1nnc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000072441798 211119804 /nfs/dbraw/zinc/11/98/04/211119804.db2.gz HEWJIOFGAXWWRF-UHFFFAOYSA-N 1 2 378.523 3.123 50 0 GGAALO O=C(NCCNc1cc(N2CCCC2)nc[nH+]1)Nc1ccc2ccccc2c1 ZINC000072437344 211119554 /nfs/dbraw/zinc/11/95/54/211119554.db2.gz FDKLWFVHBOLLNR-UHFFFAOYSA-N 1 2 376.464 3.464 50 0 GGAALO O=C(NCCNc1cc(N2CCCC2)[nH+]cn1)Nc1ccc2ccccc2c1 ZINC000072437344 211119559 /nfs/dbraw/zinc/11/95/59/211119559.db2.gz FDKLWFVHBOLLNR-UHFFFAOYSA-N 1 2 376.464 3.464 50 0 GGAALO CCC[N@@H+]1CCN(C/C(=C\CC(C)C)c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072429948 211117828 /nfs/dbraw/zinc/11/78/28/211117828.db2.gz GHANEVGUWXFVCB-ZHAPMKPUSA-N 1 2 390.593 3.309 50 0 GGAALO CCC[N@H+]1CCN(C/C(=C\CC(C)C)c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000072429948 211117833 /nfs/dbraw/zinc/11/78/33/211117833.db2.gz GHANEVGUWXFVCB-ZHAPMKPUSA-N 1 2 390.593 3.309 50 0 GGAALO Cn1ncc2c1nc(-c1cccnc1)nc2NCc1ccccc1-n1cc[nH+]c1 ZINC000072159116 211077294 /nfs/dbraw/zinc/07/72/94/211077294.db2.gz CMQRKHKENRXYPP-UHFFFAOYSA-N 1 2 382.431 3.223 50 0 GGAALO CNC(=O)c1noc(C[N@@H+]2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)n1 ZINC000072145256 211076829 /nfs/dbraw/zinc/07/68/29/211076829.db2.gz UCUJFDSXBZPSJS-CQSZACIVSA-N 1 2 396.413 3.293 50 0 GGAALO CNC(=O)c1noc(C[N@H+]2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)n1 ZINC000072145256 211076833 /nfs/dbraw/zinc/07/68/33/211076833.db2.gz UCUJFDSXBZPSJS-CQSZACIVSA-N 1 2 396.413 3.293 50 0 GGAALO COc1ccccc1C(=O)N1CCN(Cc2c[nH+]c(CC3CCCC3)[nH]2)CC1 ZINC000072143018 211075380 /nfs/dbraw/zinc/07/53/80/211075380.db2.gz MSLHFTAQUBRYFB-UHFFFAOYSA-N 1 2 382.508 3.109 50 0 GGAALO COc1ccccc1C(=O)N1CCN(Cc2c[nH]c(CC3CCCC3)[nH+]2)CC1 ZINC000072143018 211075386 /nfs/dbraw/zinc/07/53/86/211075386.db2.gz MSLHFTAQUBRYFB-UHFFFAOYSA-N 1 2 382.508 3.109 50 0 GGAALO C[N@@H+](Cc1cc2n(n1)CCCN(Cc1ccoc1)C2)C[C@@H]1Cc2ccccc2O1 ZINC000072163117 211080561 /nfs/dbraw/zinc/08/05/61/211080561.db2.gz UKVCYVVLDIWPHA-QFIPXVFZSA-N 1 2 392.503 3.318 50 0 GGAALO C[N@H+](Cc1cc2n(n1)CCCN(Cc1ccoc1)C2)C[C@@H]1Cc2ccccc2O1 ZINC000072163117 211080567 /nfs/dbraw/zinc/08/05/67/211080567.db2.gz UKVCYVVLDIWPHA-QFIPXVFZSA-N 1 2 392.503 3.318 50 0 GGAALO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cn(Cc2cccc(Cl)c2)nn1 ZINC000072156001 211078374 /nfs/dbraw/zinc/07/83/74/211078374.db2.gz CRADTBQVSXMPOI-UHFFFAOYSA-N 1 2 392.850 3.096 50 0 GGAALO CNC(=O)c1nc(C[N@@H+]2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)no1 ZINC000072154449 211078555 /nfs/dbraw/zinc/07/85/55/211078555.db2.gz HPTHTACIJOSPHA-ZDUSSCGKSA-N 1 2 396.413 3.293 50 0 GGAALO CNC(=O)c1nc(C[N@H+]2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)no1 ZINC000072154449 211078556 /nfs/dbraw/zinc/07/85/56/211078556.db2.gz HPTHTACIJOSPHA-ZDUSSCGKSA-N 1 2 396.413 3.293 50 0 GGAALO COC(=O)COc1ccccc1CN1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000072135207 211073087 /nfs/dbraw/zinc/07/30/87/211073087.db2.gz UPSSRPIWVWGECN-UHFFFAOYSA-N 1 2 388.895 3.210 50 0 GGAALO CC(C)(C)NC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000072139058 211073172 /nfs/dbraw/zinc/07/31/72/211073172.db2.gz AKGYDVDLVQVUPP-FQEVSTJZSA-N 1 2 395.503 3.084 50 0 GGAALO 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/nfs/dbraw/zinc/35/98/70/570359870.db2.gz CKDHFCFBBHNTQX-UHFFFAOYSA-N 1 2 377.444 3.260 50 0 GGAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)c2ccc(N3CCOCC3)cc2)C1 ZINC000575617311 570360709 /nfs/dbraw/zinc/36/07/09/570360709.db2.gz NPDWCUYBBTWJGQ-HXUWFJFHSA-N 1 2 390.487 3.269 50 0 GGAALO O=C(Cn1cnc2ccccc2c1=O)Nc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000575619872 570368089 /nfs/dbraw/zinc/36/80/89/570368089.db2.gz MYCQVVUOBXHEPL-UHFFFAOYSA-N 1 2 399.454 3.235 50 0 GGAALO O=S(=O)(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)c1ccc2c(c1)OCO2 ZINC000575619789 570368524 /nfs/dbraw/zinc/36/85/24/570368524.db2.gz LTHXIVMIPBTFHS-UHFFFAOYSA-N 1 2 397.456 3.416 50 0 GGAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000004937260 570375888 /nfs/dbraw/zinc/37/58/88/570375888.db2.gz QVWNEDZNLKYTJN-OAHLLOKOSA-N 1 2 390.439 3.380 50 0 GGAALO Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)[NH+]2CCOCC2)cc1 ZINC000023973449 570376327 /nfs/dbraw/zinc/37/63/27/570376327.db2.gz OLDNPRNUECDJHP-FQEVSTJZSA-N 1 2 388.895 3.217 50 0 GGAALO Cc1cc(N2N=C(c3cccc4ccccc43)C[C@@]2(O)C(F)(F)F)nc(N)[nH+]1 ZINC000004942631 570378758 /nfs/dbraw/zinc/37/87/58/570378758.db2.gz BCBWBFKKFQQIQV-GOSISDBHSA-N 1 2 387.365 3.386 50 0 GGAALO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000033771719 570414854 /nfs/dbraw/zinc/41/48/54/570414854.db2.gz AFNCSBRJNIEALE-UTUOFQBUSA-N 1 2 393.871 3.044 50 0 GGAALO O=C(COc1cccc2c1ccn2Cc1ccccc1)NCCCn1cc[nH+]c1 ZINC000253401635 570420012 /nfs/dbraw/zinc/42/00/12/570420012.db2.gz FSYZAXONANEVMD-UHFFFAOYSA-N 1 2 388.471 3.471 50 0 GGAALO Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)[NH+]2CCOCC2)cc1 ZINC000027580318 570436197 /nfs/dbraw/zinc/43/61/97/570436197.db2.gz MYFZCFMZRSEHIH-NRFANRHFSA-N 1 2 382.504 3.180 50 0 GGAALO O=c1[nH]c(=S)n(-c2ccccc2)c(O)c1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000100758518 570441836 /nfs/dbraw/zinc/44/18/36/570441836.db2.gz IQXHSMNONIKKQE-SFHVURJKSA-N 1 2 390.468 3.317 50 0 biogenic GGAALO COc1ccccc1[C@H](CNC(=O)c1cc(=O)c2c(C)cc(C)cc2o1)[NH+](C)C ZINC000028288357 570455132 /nfs/dbraw/zinc/45/51/32/570455132.db2.gz VGTPJHZPHDIASP-KRWDZBQOSA-N 1 2 394.471 3.451 50 0 GGAALO CC(C)c1ccc([C@H](CNC(=O)COc2ccccc2)[NH+]2CCOCC2)cc1 ZINC000028292029 570456473 /nfs/dbraw/zinc/45/64/73/570456473.db2.gz UXOPFENQLSFMLV-QFIPXVFZSA-N 1 2 382.504 3.379 50 0 GGAALO CCCOc1cccc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c1 ZINC000006743616 570491644 /nfs/dbraw/zinc/49/16/44/570491644.db2.gz MQUXOGGURPBEJT-UHFFFAOYSA-N 1 2 381.476 3.115 50 0 GGAALO CC(C)COc1ccc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000007610823 570510191 /nfs/dbraw/zinc/51/01/91/570510191.db2.gz ILPXPWYICBWXJS-UHFFFAOYSA-N 1 2 395.503 3.361 50 0 GGAALO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2nc(-c3cccc(F)c3)no2)CC1 ZINC000032918406 570515964 /nfs/dbraw/zinc/51/59/64/570515964.db2.gz ATZUJYKWWUTSCD-UHFFFAOYSA-N 1 2 376.432 3.319 50 0 GGAALO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2nc(-c3cccc(F)c3)no2)CC1 ZINC000032918406 570515969 /nfs/dbraw/zinc/51/59/69/570515969.db2.gz ATZUJYKWWUTSCD-UHFFFAOYSA-N 1 2 376.432 3.319 50 0 GGAALO Cc1nn2c(nc(C(=O)N3CC[NH+](C)CC3)cc2C(C)(C)C)c1-c1ccccc1 ZINC000032929409 570516520 /nfs/dbraw/zinc/51/65/20/570516520.db2.gz XXQMSAYJNFZORL-UHFFFAOYSA-N 1 2 391.519 3.390 50 0 GGAALO CCCCOc1ccc(S(=O)(=O)NCCc2cn3ccc(C)cc3[nH+]2)cc1 ZINC000002961143 570522711 /nfs/dbraw/zinc/52/27/11/570522711.db2.gz YMVBRTZZIBAQIP-UHFFFAOYSA-N 1 2 387.505 3.343 50 0 GGAALO Cc1cc(C)c(CNC(=O)N2CCC(n3c4ccccc4[nH]c3=O)CC2)c[nH+]1 ZINC000459116752 570549101 /nfs/dbraw/zinc/54/91/01/570549101.db2.gz KCBBYRJKNVBOCD-UHFFFAOYSA-N 1 2 379.464 3.300 50 0 GGAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(OC)c(OC)c1)[NH+]1CCCC1)S2 ZINC000022853011 570556404 /nfs/dbraw/zinc/55/64/04/570556404.db2.gz HKQIYIYHFMWVEJ-INIZCTEOSA-N 1 2 388.493 3.261 50 0 GGAALO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CC(=O)Nc1ccc(N(C)C)cc1)CC2 ZINC000005354228 570559741 /nfs/dbraw/zinc/55/97/41/570559741.db2.gz YLKBTPYZQSCEKX-OAHLLOKOSA-N 1 2 383.492 3.328 50 0 biogenic GGAALO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CC(=O)Nc1ccc(N(C)C)cc1)CC2 ZINC000005354228 570559745 /nfs/dbraw/zinc/55/97/45/570559745.db2.gz YLKBTPYZQSCEKX-OAHLLOKOSA-N 1 2 383.492 3.328 50 0 biogenic GGAALO CCOc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)sc2c1 ZINC000193583026 570559790 /nfs/dbraw/zinc/55/97/90/570559790.db2.gz MMIVWMFRPJXXSH-CYBMUJFWSA-N 1 2 385.493 3.236 50 0 GGAALO CCOc1ccc2nc(NC(=O)C[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)sc2c1 ZINC000193583026 570559795 /nfs/dbraw/zinc/55/97/95/570559795.db2.gz MMIVWMFRPJXXSH-CYBMUJFWSA-N 1 2 385.493 3.236 50 0 GGAALO CC(C)COc1cccc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c1 ZINC000010279399 570567491 /nfs/dbraw/zinc/56/74/91/570567491.db2.gz JPBVGEXVUIMETR-UHFFFAOYSA-N 1 2 395.503 3.361 50 0 GGAALO CCn1cc[nH+]c1CNC(=O)CCc1nnc(CCCCc2ccccc2)o1 ZINC000011664565 570578499 /nfs/dbraw/zinc/57/84/99/570578499.db2.gz RINQXKPIHBMLGE-UHFFFAOYSA-N 1 2 381.480 3.100 50 0 GGAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1F ZINC000038528659 570580424 /nfs/dbraw/zinc/58/04/24/570580424.db2.gz UZJJZVLNSLXQDC-UHFFFAOYSA-N 1 2 398.486 3.269 50 0 GGAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1F ZINC000038528659 570580428 /nfs/dbraw/zinc/58/04/28/570580428.db2.gz UZJJZVLNSLXQDC-UHFFFAOYSA-N 1 2 398.486 3.269 50 0 GGAALO O=C(c1ccccc1Cl)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528426 570580467 /nfs/dbraw/zinc/58/04/67/570580467.db2.gz CXQIWZDRWVYAEA-UHFFFAOYSA-N 1 2 385.899 3.083 50 0 GGAALO O=C(c1ccccc1Cl)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528426 570580469 /nfs/dbraw/zinc/58/04/69/570580469.db2.gz CXQIWZDRWVYAEA-UHFFFAOYSA-N 1 2 385.899 3.083 50 0 GGAALO CCOc1ccc2nc(C[N@@H+]3CCN(CC=C(C)C)[C@H](CCO)C3)ccc2c1 ZINC000039442321 570591535 /nfs/dbraw/zinc/59/15/35/570591535.db2.gz UUMZKTQBLAEJPW-OAQYLSRUSA-N 1 2 383.536 3.468 50 0 GGAALO CCOc1ccc2nc(C[N@H+]3CCN(CC=C(C)C)[C@H](CCO)C3)ccc2c1 ZINC000039442321 570591536 /nfs/dbraw/zinc/59/15/36/570591536.db2.gz UUMZKTQBLAEJPW-OAQYLSRUSA-N 1 2 383.536 3.468 50 0 GGAALO Cn1ccnc1C[NH+]1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000011936017 570593434 /nfs/dbraw/zinc/59/34/34/570593434.db2.gz QTRKUXHPCHGMMP-UHFFFAOYSA-N 1 2 382.508 3.090 50 0 GGAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000011936426 570594070 /nfs/dbraw/zinc/59/40/70/570594070.db2.gz SNFIVQBDEOWYKD-QGZVFWFLSA-N 1 2 386.887 3.021 50 0 GGAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)NCc2nc3ccccc3o2)[nH]n1 ZINC000012302316 570637274 /nfs/dbraw/zinc/63/72/74/570637274.db2.gz HSUWVKLYCSGRPW-UHFFFAOYSA-N 1 2 386.415 3.187 50 0 GGAALO c1ccc(OCc2noc(C[N@@H+]3CCC[C@@H](OCc4cccnc4)C3)n2)cc1 ZINC000012304266 570638151 /nfs/dbraw/zinc/63/81/51/570638151.db2.gz RKZBFIWTYNDATK-LJQANCHMSA-N 1 2 380.448 3.225 50 0 GGAALO c1ccc(OCc2noc(C[N@H+]3CCC[C@@H](OCc4cccnc4)C3)n2)cc1 ZINC000012304266 570638155 /nfs/dbraw/zinc/63/81/55/570638155.db2.gz RKZBFIWTYNDATK-LJQANCHMSA-N 1 2 380.448 3.225 50 0 GGAALO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012307350 570639787 /nfs/dbraw/zinc/63/97/87/570639787.db2.gz SOBHAAUVASPMGY-QGZVFWFLSA-N 1 2 399.491 3.469 50 0 GGAALO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012307350 570639790 /nfs/dbraw/zinc/63/97/90/570639790.db2.gz SOBHAAUVASPMGY-QGZVFWFLSA-N 1 2 399.491 3.469 50 0 GGAALO Cn1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)cn1 ZINC000012307405 570639892 /nfs/dbraw/zinc/63/98/92/570639892.db2.gz GFUMOXPATXUMPC-IBGZPJMESA-N 1 2 377.448 3.211 50 0 GGAALO Cn1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)cn1 ZINC000012307405 570639894 /nfs/dbraw/zinc/63/98/94/570639894.db2.gz GFUMOXPATXUMPC-IBGZPJMESA-N 1 2 377.448 3.211 50 0 GGAALO Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)c2ccoc2)CC1 ZINC000012308920 570640324 /nfs/dbraw/zinc/64/03/24/570640324.db2.gz GPCUXDGJMHTCHB-UHFFFAOYSA-N 1 2 376.460 3.240 50 0 GGAALO CCn1cc[nH+]c1CNC(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000012317702 570642505 /nfs/dbraw/zinc/64/25/05/570642505.db2.gz XAEABSIGPDAPJD-GOSISDBHSA-N 1 2 377.444 3.470 50 0 GGAALO C[N@@H+]1Cc2sc3c(c2CC1(C)C)c(=O)n(-c1ccccc1)c1nnc(S)n31 ZINC000024979667 570647779 /nfs/dbraw/zinc/64/77/79/570647779.db2.gz KSPBQSOBEAYORE-UHFFFAOYSA-N 1 2 397.529 3.150 50 0 GGAALO C[N@H+]1Cc2sc3c(c2CC1(C)C)c(=O)n(-c1ccccc1)c1nnc(S)n31 ZINC000024979667 570647781 /nfs/dbraw/zinc/64/77/81/570647781.db2.gz KSPBQSOBEAYORE-UHFFFAOYSA-N 1 2 397.529 3.150 50 0 GGAALO O=C(NC(c1ccccc1)c1ccccc1)c1cc(C[N@H+]2CCC[C@@H](O)C2)on1 ZINC000012387661 570652156 /nfs/dbraw/zinc/65/21/56/570652156.db2.gz FMIITDFXAWPFMD-LJQANCHMSA-N 1 2 391.471 3.151 50 0 GGAALO O=C(NC(c1ccccc1)c1ccccc1)c1cc(C[N@@H+]2CCC[C@@H](O)C2)on1 ZINC000012387661 570652160 /nfs/dbraw/zinc/65/21/60/570652160.db2.gz FMIITDFXAWPFMD-LJQANCHMSA-N 1 2 391.471 3.151 50 0 GGAALO CNC(=O)c1cc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1Cl ZINC000047815492 570654626 /nfs/dbraw/zinc/65/46/26/570654626.db2.gz ARFGRXJUNFTAHB-OAHLLOKOSA-N 1 2 377.876 3.133 50 0 GGAALO COc1ccc2[nH]c(CCNc3nccc(-c4c(C)nn(C)c4C)n3)[nH+]c2c1 ZINC000048353754 570657398 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ZINC000001227009 212230866 /nfs/dbraw/zinc/23/08/66/212230866.db2.gz DPKUQYJAPFRWMP-LBPRGKRZSA-N 1 2 386.286 3.241 50 0 GGAALO c1cn(-c2nc(N(c3ccccc3)c3ccccc3)nc(N3CCOCC3)n2)c[nH+]1 ZINC000001074899 212214430 /nfs/dbraw/zinc/21/44/30/212214430.db2.gz JGZZOBASRXHWRQ-UHFFFAOYSA-N 1 2 399.458 3.364 50 0 GGAALO CCOc1ccccc1N1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000001029213 212207167 /nfs/dbraw/zinc/20/71/67/212207167.db2.gz BEKLGEVQKKSNLM-UHFFFAOYSA-N 1 2 386.492 3.433 50 0 GGAALO Fc1ccc(Nc2nc(NCc3ccccc3)[nH+]c(N3CCOCC3)n2)cc1 ZINC000001029732 212206741 /nfs/dbraw/zinc/20/67/41/212206741.db2.gz DOHSHEIXJNANNF-UHFFFAOYSA-N 1 2 380.427 3.203 50 0 GGAALO CCOC(=O)C1CC[NH+](Cc2cc(Br)c(OC)cc2OC)CC1 ZINC000000752326 212179968 /nfs/dbraw/zinc/17/99/68/212179968.db2.gz ADLGVRCBZRUUKV-UHFFFAOYSA-N 1 2 386.286 3.241 50 0 GGAALO COc1ccc(OC)c(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c1 ZINC000019943008 212149310 /nfs/dbraw/zinc/14/93/10/212149310.db2.gz PBOWCKIYHDYGKX-MRXNPFEDSA-N 1 2 399.443 3.243 50 0 biogenic GGAALO COc1ccc(OC)c(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c1 ZINC000019943008 212149313 /nfs/dbraw/zinc/14/93/13/212149313.db2.gz PBOWCKIYHDYGKX-MRXNPFEDSA-N 1 2 399.443 3.243 50 0 biogenic GGAALO CSc1ccc(C[NH2+][C@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 ZINC000263616607 212141588 /nfs/dbraw/zinc/14/15/88/212141588.db2.gz JRMHUPINVKEJEU-LJQANCHMSA-N 1 2 382.464 3.443 50 0 GGAALO COc1ccc(C[NH2+][C@H]2CNC(=O)c3cc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000263616509 212141313 /nfs/dbraw/zinc/14/13/13/212141313.db2.gz JCHDETIRXKERHY-LJQANCHMSA-N 1 2 382.851 3.244 50 0 GGAALO COc1ccc(C[NH2+][C@@H]2CNC(=O)c3cc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000263616508 212140926 /nfs/dbraw/zinc/14/09/26/212140926.db2.gz JCHDETIRXKERHY-IBGZPJMESA-N 1 2 382.851 3.244 50 0 GGAALO CC(C)=CCN1CC[N@H+](Cc2ccc3c(cccc3NC(C)=O)n2)C[C@@H]1CCO ZINC000023373489 212106920 /nfs/dbraw/zinc/10/69/20/212106920.db2.gz PNARANNZZSVICB-FQEVSTJZSA-N 1 2 396.535 3.028 50 0 GGAALO CC(C)=CCN1CC[N@@H+](Cc2ccc3c(cccc3NC(C)=O)n2)C[C@@H]1CCO ZINC000023373489 212106922 /nfs/dbraw/zinc/10/69/22/212106922.db2.gz PNARANNZZSVICB-FQEVSTJZSA-N 1 2 396.535 3.028 50 0 GGAALO COCC1(N(C)C(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)CC1 ZINC000426484792 533145297 /nfs/dbraw/zinc/14/52/97/533145297.db2.gz NQKBGEMBGNWYOV-UHFFFAOYSA-N 1 2 389.521 3.162 50 0 GGAALO COCC1(N(C)C(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)CC1 ZINC000426484792 533145300 /nfs/dbraw/zinc/14/53/00/533145300.db2.gz NQKBGEMBGNWYOV-UHFFFAOYSA-N 1 2 389.521 3.162 50 0 GGAALO COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3[nH+]ccn3C)cc1)CC2 ZINC000426555403 533170645 /nfs/dbraw/zinc/17/06/45/533170645.db2.gz FWBUHGQWUVGNFX-UHFFFAOYSA-N 1 2 377.444 3.303 50 0 GGAALO CCOC(=O)C1=C(C[N@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000008815833 221059709 /nfs/dbraw/zinc/05/97/09/221059709.db2.gz UISKASFIXQBFMN-MRUHUIDDSA-N 1 2 399.535 3.452 50 0 GGAALO CCOC(=O)C1=C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000008815833 221059710 /nfs/dbraw/zinc/05/97/10/221059710.db2.gz UISKASFIXQBFMN-MRUHUIDDSA-N 1 2 399.535 3.452 50 0 GGAALO O=C(Cn1c(NCCO)[nH+]c2ccccc21)c1ccc(Br)s1 ZINC000008643192 221049090 /nfs/dbraw/zinc/04/90/90/221049090.db2.gz IUWDZUOXJCZMAM-UHFFFAOYSA-N 1 2 380.267 3.147 50 0 GGAALO Cc1oc2cc3oc(=O)c(CC(=O)NCCc4c[nH+]c[nH]4)c(C)c3cc2c1C ZINC000008765513 221056666 /nfs/dbraw/zinc/05/66/66/221056666.db2.gz PNZMDHRPDDZICX-UHFFFAOYSA-N 1 2 379.416 3.089 50 0 biogenic GGAALO Cc1oc2cc3oc(=O)c(CC(=O)NCCc4c[nH]c[nH+]4)c(C)c3cc2c1C ZINC000008765513 221056671 /nfs/dbraw/zinc/05/66/71/221056671.db2.gz PNZMDHRPDDZICX-UHFFFAOYSA-N 1 2 379.416 3.089 50 0 biogenic GGAALO CC(=O)Nc1cccc(C(=O)N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)c1 ZINC000009419913 221079879 /nfs/dbraw/zinc/07/98/79/221079879.db2.gz LQCMCPGZBUCWGJ-UHFFFAOYSA-N 1 2 388.471 3.464 50 0 GGAALO O=C(c1ccc2nc(-n3cccc3)sc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000009547812 221085092 /nfs/dbraw/zinc/08/50/92/221085092.db2.gz GVLWLFLMTMYCJW-UHFFFAOYSA-N 1 2 389.484 3.444 50 0 GGAALO O=C(NCCCn1cc[nH+]c1)c1ccccc1NC(=O)c1cccnc1Cl ZINC000010313278 221100064 /nfs/dbraw/zinc/10/00/64/221100064.db2.gz TUQZSSJPWWZKKB-UHFFFAOYSA-N 1 2 383.839 3.004 50 0 GGAALO O=C(c1ccccn1)[C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000011878143 221134323 /nfs/dbraw/zinc/13/43/23/221134323.db2.gz XNQMHOPJIQHWOZ-MRXNPFEDSA-N 1 2 380.423 3.289 50 0 GGAALO O=C(c1ccccn1)[C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000011878143 221134327 /nfs/dbraw/zinc/13/43/27/221134327.db2.gz XNQMHOPJIQHWOZ-MRXNPFEDSA-N 1 2 380.423 3.289 50 0 GGAALO c1cncc(CO[C@H]2CCC[N@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)c1 ZINC000011874445 221135349 /nfs/dbraw/zinc/13/53/49/221135349.db2.gz ZTKSFUZJNOPILJ-KRWDZBQOSA-N 1 2 394.431 3.042 50 0 GGAALO c1cncc(CO[C@H]2CCC[N@@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)c1 ZINC000011874445 221135353 /nfs/dbraw/zinc/13/53/53/221135353.db2.gz ZTKSFUZJNOPILJ-KRWDZBQOSA-N 1 2 394.431 3.042 50 0 GGAALO CC(C)[N@@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@H]1CCC(=O)N1 ZINC000011661408 221119111 /nfs/dbraw/zinc/11/91/11/221119111.db2.gz FIYFAVONQBPPCQ-OAHLLOKOSA-N 1 2 396.413 3.168 50 0 GGAALO CC(C)[N@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@H]1CCC(=O)N1 ZINC000011661408 221119114 /nfs/dbraw/zinc/11/91/14/221119114.db2.gz FIYFAVONQBPPCQ-OAHLLOKOSA-N 1 2 396.413 3.168 50 0 GGAALO COc1ccccc1CNC(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)n[nH]1 ZINC000011663486 221120195 /nfs/dbraw/zinc/12/01/95/221120195.db2.gz CTZKRXZUYYAQGW-UHFFFAOYSA-N 1 2 375.432 3.055 50 0 GGAALO Cc1ccn2cc(CNC(=O)[C@@H]3CCC(=O)N(C4CCCCCC4)C3)[nH+]c2c1 ZINC000011663622 221120484 /nfs/dbraw/zinc/12/04/84/221120484.db2.gz VNXRIKUVGJLHBM-QGZVFWFLSA-N 1 2 382.508 3.220 50 0 GGAALO Cc1ccc(-n2cc[nH+]c2N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000011695663 221121395 /nfs/dbraw/zinc/12/13/95/221121395.db2.gz SUJGJFPJQFTBCM-UHFFFAOYSA-N 1 2 378.451 3.211 50 0 GGAALO Cc1c([C@@H](C)NC(=O)c2cnc(C[NH+]3CCCC3)s2)cnn1-c1ccccn1 ZINC000011933603 221137461 /nfs/dbraw/zinc/13/74/61/221137461.db2.gz ZOOAYTOACCZDHJ-CQSZACIVSA-N 1 2 396.520 3.119 50 0 GGAALO COc1ccc(Cc2nc3ccc(C(=O)N(C)Cc4[nH+]ccn4C)cc3o2)cc1 ZINC000011934295 221138130 /nfs/dbraw/zinc/13/81/30/221138130.db2.gz SMWCERDDNOMLEV-UHFFFAOYSA-N 1 2 390.443 3.433 50 0 GGAALO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cn(C/C=C/c2ccccc2)nn1 ZINC000011935386 221138801 /nfs/dbraw/zinc/13/88/01/221138801.db2.gz OTQRFOKLXXJEMC-CLNPQZTCSA-N 1 2 398.470 3.359 50 0 GGAALO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1cn(C/C=C/c2ccccc2)nn1 ZINC000011935387 221139228 /nfs/dbraw/zinc/13/92/28/221139228.db2.gz OTQRFOKLXXJEMC-TYOLEZHBSA-N 1 2 398.470 3.359 50 0 GGAALO CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000012305412 221178131 /nfs/dbraw/zinc/17/81/31/221178131.db2.gz VPBNPLCDIYERMH-CSKARUKUSA-N 1 2 380.492 3.100 50 0 GGAALO c1ccc(OCc2noc(C[N@@H+]3CCC[C@H](OCc4cccnc4)C3)n2)cc1 ZINC000012304268 221178297 /nfs/dbraw/zinc/17/82/97/221178297.db2.gz RKZBFIWTYNDATK-IBGZPJMESA-N 1 2 380.448 3.225 50 0 GGAALO c1ccc(OCc2noc(C[N@H+]3CCC[C@H](OCc4cccnc4)C3)n2)cc1 ZINC000012304268 221178300 /nfs/dbraw/zinc/17/83/00/221178300.db2.gz RKZBFIWTYNDATK-IBGZPJMESA-N 1 2 380.448 3.225 50 0 GGAALO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012307351 221179918 /nfs/dbraw/zinc/17/99/18/221179918.db2.gz SOBHAAUVASPMGY-KRWDZBQOSA-N 1 2 399.491 3.469 50 0 GGAALO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012307351 221179922 /nfs/dbraw/zinc/17/99/22/221179922.db2.gz SOBHAAUVASPMGY-KRWDZBQOSA-N 1 2 399.491 3.469 50 0 GGAALO CC(C)c1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)cc1 ZINC000012324782 221182544 /nfs/dbraw/zinc/18/25/44/221182544.db2.gz XPFYIZWAMAOEKL-HNNXBMFYSA-N 1 2 394.479 3.496 50 0 GGAALO O=C(CCc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000012209929 221167900 /nfs/dbraw/zinc/16/79/00/221167900.db2.gz NJIVEFJKYGQPQZ-UHFFFAOYSA-N 1 2 378.480 3.015 50 0 GGAALO CCCc1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCO3)[nH]n1 ZINC000012207014 221167925 /nfs/dbraw/zinc/16/79/25/221167925.db2.gz WCZAUHOAQLPBHZ-UHFFFAOYSA-N 1 2 381.480 3.166 50 0 GGAALO CCCc1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCO3)[nH]n1 ZINC000012207014 221167929 /nfs/dbraw/zinc/16/79/29/221167929.db2.gz WCZAUHOAQLPBHZ-UHFFFAOYSA-N 1 2 381.480 3.166 50 0 GGAALO COCCn1c(C[N@H+](C)CCCC2CCCC2)cnc1S(=O)(=O)CC1CC1 ZINC000012204550 221167937 /nfs/dbraw/zinc/16/79/37/221167937.db2.gz XPNCENSVFZIOLB-UHFFFAOYSA-N 1 2 397.585 3.115 50 0 GGAALO COCCn1c(C[N@@H+](C)CCCC2CCCC2)cnc1S(=O)(=O)CC1CC1 ZINC000012204550 221167939 /nfs/dbraw/zinc/16/79/39/221167939.db2.gz XPNCENSVFZIOLB-UHFFFAOYSA-N 1 2 397.585 3.115 50 0 GGAALO Cc1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3CCC(C)CC3)n2)cc1C ZINC000012234985 221172305 /nfs/dbraw/zinc/17/23/05/221172305.db2.gz XMGXRDZKBBUPAN-UHFFFAOYSA-N 1 2 382.512 3.305 50 0 GGAALO CN(Cc1c[nH+]c2ccccn12)C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012442219 221195127 /nfs/dbraw/zinc/19/51/27/221195127.db2.gz MIJOYZLNKUTOGU-SFHVURJKSA-N 1 2 382.508 3.112 50 0 GGAALO Cc1ccn2cc(CNC(=O)c3coc(COc4cccc(F)c4)n3)[nH+]c2c1 ZINC000012446610 221197378 /nfs/dbraw/zinc/19/73/78/221197378.db2.gz QIXONMPVBVSJNX-UHFFFAOYSA-N 1 2 380.379 3.279 50 0 GGAALO O=C(Nc1ccc(Br)cc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000013324871 221264837 /nfs/dbraw/zinc/26/48/37/221264837.db2.gz LPJOQBLGBHZQKX-UHFFFAOYSA-N 1 2 375.270 3.194 50 0 GGAALO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(SC)cc2)C1 ZINC000013636696 221278582 /nfs/dbraw/zinc/27/85/82/221278582.db2.gz CFWKOCHZNIPDFP-OAHLLOKOSA-N 1 2 387.505 3.403 50 0 GGAALO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@@H](C(=O)c2ccc(SC)cc2)C1 ZINC000013636696 221278585 /nfs/dbraw/zinc/27/85/85/221278585.db2.gz CFWKOCHZNIPDFP-OAHLLOKOSA-N 1 2 387.505 3.403 50 0 GGAALO Cn1cc(C[N@H+](C)CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cn1 ZINC000014191627 221303190 /nfs/dbraw/zinc/30/31/90/221303190.db2.gz IQUXEBIPCDIRLX-UHFFFAOYSA-N 1 2 375.885 3.268 50 0 GGAALO Cn1cc(C[N@@H+](C)CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cn1 ZINC000014191627 221303193 /nfs/dbraw/zinc/30/31/93/221303193.db2.gz IQUXEBIPCDIRLX-UHFFFAOYSA-N 1 2 375.885 3.268 50 0 GGAALO O=C(NCC1(c2ccccc2)CCCCC1)c1cc(C[N@H+]2CCC[C@H](O)C2)on1 ZINC000014980370 221323093 /nfs/dbraw/zinc/32/30/93/221323093.db2.gz QEETZUBLTUJKTQ-IBGZPJMESA-N 1 2 397.519 3.263 50 0 GGAALO O=C(NCC1(c2ccccc2)CCCCC1)c1cc(C[N@@H+]2CCC[C@H](O)C2)on1 ZINC000014980370 221323096 /nfs/dbraw/zinc/32/30/96/221323096.db2.gz QEETZUBLTUJKTQ-IBGZPJMESA-N 1 2 397.519 3.263 50 0 GGAALO COc1cc(OC)c(OC)cc1C[N@@H+]1CCO[C@H](Cc2ccc(F)cc2)C1 ZINC000014956268 221319866 /nfs/dbraw/zinc/31/98/66/221319866.db2.gz HCMLWKUNUTUYAT-GOSISDBHSA-N 1 2 375.440 3.295 50 0 GGAALO COc1cc(OC)c(OC)cc1C[N@H+]1CCO[C@H](Cc2ccc(F)cc2)C1 ZINC000014956268 221319868 /nfs/dbraw/zinc/31/98/68/221319868.db2.gz HCMLWKUNUTUYAT-GOSISDBHSA-N 1 2 375.440 3.295 50 0 GGAALO CCOC(=O)c1cnn(-c2ccccc2Cl)c1CN(C)Cc1[nH+]ccn1C ZINC000014999046 221326559 /nfs/dbraw/zinc/32/65/59/221326559.db2.gz WAEAFNLJZUPGNG-UHFFFAOYSA-N 1 2 387.871 3.068 50 0 GGAALO Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)c2cscn2)CC1 ZINC000015064576 221327643 /nfs/dbraw/zinc/32/76/43/221327643.db2.gz PCJIJQYDVIWQRB-UHFFFAOYSA-N 1 2 393.516 3.103 50 0 GGAALO COc1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1OCc1ccccc1 ZINC000016662925 221367860 /nfs/dbraw/zinc/36/78/60/221367860.db2.gz RUTLKVLKKWQVCS-UHFFFAOYSA-N 1 2 390.487 3.386 50 0 GGAALO CCOc1ccccc1-n1c(O)c([C@H]2[NH2+]CCc3ccccc32)c(=O)[nH]c1=S ZINC000017194973 221380625 /nfs/dbraw/zinc/38/06/25/221380625.db2.gz JVPINVOVCODRCJ-SFHVURJKSA-N 1 2 395.484 3.234 50 0 GGAALO CCc1ccc(-n2c(O)c([C@H]3[NH2+]CCc4ccccc43)c(=O)[nH]c2=S)cc1 ZINC000017046026 221375786 /nfs/dbraw/zinc/37/57/86/221375786.db2.gz VKNOCKSSMQUSKG-SFHVURJKSA-N 1 2 379.485 3.398 50 0 GGAALO Cc1nn(Cc2ccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)cc2)c(C)c1Cl ZINC000017077504 221377636 /nfs/dbraw/zinc/37/76/36/221377636.db2.gz RQVRRWZOXSCAMI-UHFFFAOYSA-N 1 2 378.827 3.183 50 0 GGAALO Cc1cc(C)c(C)c(S(=O)(=O)N2CC[NH+](CCc3ccccc3)CC2)c1C ZINC000017078993 221377788 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O=C(c1ccccc1Br)N1CC([N@H+]2CCc3sccc3C2)C1 ZINC000390827935 565559291 /nfs/dbraw/zinc/55/92/91/565559291.db2.gz MGNXKVLTHWYSTI-UHFFFAOYSA-N 1 2 377.307 3.393 50 0 GGAALO O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575614249 566277472 /nfs/dbraw/zinc/27/74/72/566277472.db2.gz XOUARTJALSMMKP-OAHLLOKOSA-N 1 2 397.294 3.076 50 0 GGAALO CCOc1ccccc1CCNC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000096131191 570210997 /nfs/dbraw/zinc/21/09/97/570210997.db2.gz LZHMOAXXGPPZHH-UHFFFAOYSA-N 1 2 383.492 3.282 50 0 GGAALO COc1ccc(CN2CC[N@@H+](Cc3ccccc3OC)C[C@@H]2CCO)c(C)c1C ZINC000019720544 570211299 /nfs/dbraw/zinc/21/12/99/570211299.db2.gz DEHWMLLFQYODNZ-QFIPXVFZSA-N 1 2 398.547 3.389 50 0 GGAALO COc1ccc(CN2CC[N@H+](Cc3ccccc3OC)C[C@@H]2CCO)c(C)c1C ZINC000019720544 570211301 /nfs/dbraw/zinc/21/13/01/570211301.db2.gz DEHWMLLFQYODNZ-QFIPXVFZSA-N 1 2 398.547 3.389 50 0 GGAALO OCC[C@@H]1C[N@H+](Cc2ccc(O)c(Cl)c2)CCN1Cc1ccc(F)c(F)c1 ZINC000019739827 570212101 /nfs/dbraw/zinc/21/21/01/570212101.db2.gz 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Cc1ccc(OCc2cc(C(=O)N3CC[N@@H+](C)[C@H](c4ccccc4)C3)no2)cn1 ZINC000019743478 570213284 /nfs/dbraw/zinc/21/32/84/570213284.db2.gz RHSHZZSYHXEMLK-NRFANRHFSA-N 1 2 392.459 3.086 50 0 GGAALO Cc1ccc(OCc2cc(C(=O)N3CC[N@H+](C)[C@H](c4ccccc4)C3)no2)cn1 ZINC000019743478 570213286 /nfs/dbraw/zinc/21/32/86/570213286.db2.gz RHSHZZSYHXEMLK-NRFANRHFSA-N 1 2 392.459 3.086 50 0 GGAALO Cc1cc(-n2cccn2)ccc1CN1CC[N@H+](Cc2ccsc2)[C@@H](CCO)C1 ZINC000019770688 570217841 /nfs/dbraw/zinc/21/78/41/570217841.db2.gz HBZBOVGZCXIWSU-QFIPXVFZSA-N 1 2 396.560 3.311 50 0 GGAALO Cc1cc(-n2cccn2)ccc1CN1CC[N@@H+](Cc2ccsc2)[C@@H](CCO)C1 ZINC000019770688 570217845 /nfs/dbraw/zinc/21/78/45/570217845.db2.gz HBZBOVGZCXIWSU-QFIPXVFZSA-N 1 2 396.560 3.311 50 0 GGAALO COCCc1ncc(C[N@@H+]2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000019770847 570218056 /nfs/dbraw/zinc/21/80/56/570218056.db2.gz MPBKWHKNWOUQGE-GOSISDBHSA-N 1 2 395.425 3.128 50 0 GGAALO COCCc1ncc(C[N@H+]2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000019770847 570218057 /nfs/dbraw/zinc/21/80/57/570218057.db2.gz MPBKWHKNWOUQGE-GOSISDBHSA-N 1 2 395.425 3.128 50 0 GGAALO COc1cc(C[NH+]2CCN(Cc3ccc(SC)cc3)CC2)cc2c1OCO2 ZINC000019781733 570218534 /nfs/dbraw/zinc/21/85/34/570218534.db2.gz FAWITJRPYDJACB-UHFFFAOYSA-N 1 2 386.517 3.464 50 0 GGAALO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)cc1Cl ZINC000019782418 570218774 /nfs/dbraw/zinc/21/87/74/570218774.db2.gz HGZVCYVRGMYPNI-IBGZPJMESA-N 1 2 383.879 3.103 50 0 GGAALO Cc1ccc(S(=O)(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000019800396 570220574 /nfs/dbraw/zinc/22/05/74/570220574.db2.gz XRBXILGGCFFSFS-UHFFFAOYSA-N 1 2 394.924 3.034 50 0 GGAALO COc1ccc(Cl)cc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019809157 570221108 /nfs/dbraw/zinc/22/11/08/570221108.db2.gz LMDQQSUDLUYCGA-UHFFFAOYSA-N 1 2 388.851 3.035 50 0 GGAALO O=C(NC12CC3CC(CC(C3)C1)C2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019842873 570225373 /nfs/dbraw/zinc/22/53/73/570225373.db2.gz BOULBCLXKBABCG-UHFFFAOYSA-N 1 2 397.519 3.211 50 0 GGAALO O=c1nc(CN2CCCC2)[nH]c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000019926516 570229975 /nfs/dbraw/zinc/22/99/75/570229975.db2.gz SPKMKYCHDIPUQF-UHFFFAOYSA-N 1 2 380.517 3.139 50 0 GGAALO O=c1nc(CN2CCCC2)[nH]c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000019926516 570229980 /nfs/dbraw/zinc/22/99/80/570229980.db2.gz SPKMKYCHDIPUQF-UHFFFAOYSA-N 1 2 380.517 3.139 50 0 GGAALO CCOc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019929080 570230420 /nfs/dbraw/zinc/23/04/20/570230420.db2.gz JVJYEMXNAKVHLR-UHFFFAOYSA-N 1 2 399.516 3.044 50 0 GGAALO COc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c(OC)c1 ZINC000019933910 570231666 /nfs/dbraw/zinc/23/16/66/570231666.db2.gz XLYTXBDSZFRHDM-INIZCTEOSA-N 1 2 399.443 3.243 50 0 biogenic GGAALO COc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c(OC)c1 ZINC000019933910 570231670 /nfs/dbraw/zinc/23/16/70/570231670.db2.gz XLYTXBDSZFRHDM-INIZCTEOSA-N 1 2 399.443 3.243 50 0 biogenic GGAALO c1coc(CN2C[NH+]=C3N[C@@H](c4ccccc4)n4c5ccccc5nc4N3C2)c1 ZINC000020101284 570239312 /nfs/dbraw/zinc/23/93/12/570239312.db2.gz UNHXJBDFMBFGCU-HXUWFJFHSA-N 1 2 384.443 3.373 50 0 GGAALO COc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)no2)cc1 ZINC000020137477 570241877 /nfs/dbraw/zinc/24/18/77/570241877.db2.gz OYXFSSDFBWPZJQ-UHFFFAOYSA-N 1 2 377.444 3.308 50 0 GGAALO O=c1[nH]c(=S)n(-c2ccccc2Cl)c(O)c1[C@@H]1[NH2+]CCc2ccccc21 ZINC000020149769 570243985 /nfs/dbraw/zinc/24/39/85/570243985.db2.gz GLQMTYAZNPRWNV-MRXNPFEDSA-N 1 2 385.876 3.489 50 0 GGAALO CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CC[NH+](CCO)CC2)c(C(C)C)c1 ZINC000020149975 570244141 /nfs/dbraw/zinc/24/41/41/570244141.db2.gz MYUCISFSIOGJSN-UHFFFAOYSA-N 1 2 396.597 3.355 50 0 GGAALO O=c1[nH]c(=S)n(-c2ccccc2Cl)c(O)c1[C@H]1[NH2+]CCc2ccccc21 ZINC000020149770 570244148 /nfs/dbraw/zinc/24/41/48/570244148.db2.gz GLQMTYAZNPRWNV-INIZCTEOSA-N 1 2 385.876 3.489 50 0 GGAALO CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020176828 570245997 /nfs/dbraw/zinc/24/59/97/570245997.db2.gz XHEIVIPUBRKQGI-UHFFFAOYSA-N 1 2 383.448 3.164 50 0 GGAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1OC(F)(F)F ZINC000020173184 570246162 /nfs/dbraw/zinc/24/61/62/570246162.db2.gz NRQGCZAFXPLRBN-UHFFFAOYSA-N 1 2 397.372 3.485 50 0 GGAALO COc1ccc(/C=C/C[N@@H+]2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000020202722 570247488 /nfs/dbraw/zinc/24/74/88/570247488.db2.gz OQELFHNJNSQVFS-LHXJMTLCSA-N 1 2 396.531 3.286 50 0 GGAALO COc1ccc(/C=C/C[N@H+]2CCN(Cc3cccc(OC)c3)[C@@H](CCO)C2)cc1 ZINC000020202722 570247489 /nfs/dbraw/zinc/24/74/89/570247489.db2.gz OQELFHNJNSQVFS-LHXJMTLCSA-N 1 2 396.531 3.286 50 0 GGAALO CCOc1ccc(-n2c(O)c([C@@H]3[NH2+]CCc4ccccc43)c(=O)[nH]c2=S)cc1 ZINC000020231476 570249071 /nfs/dbraw/zinc/24/90/71/570249071.db2.gz CRQWOXNAVLXOCD-GOSISDBHSA-N 1 2 395.484 3.234 50 0 GGAALO COc1cc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c(OC)cc1Cl ZINC000020242048 570249432 /nfs/dbraw/zinc/24/94/32/570249432.db2.gz KMQMFGKVMZOXHB-UHFFFAOYSA-N 1 2 390.867 3.442 50 0 GGAALO COc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccccc4F)CC3)c2c1 ZINC000020259470 570250748 /nfs/dbraw/zinc/25/07/48/570250748.db2.gz YKPVRQNBNZTCMD-UHFFFAOYSA-N 1 2 382.435 3.259 50 0 biogenic,in-vitro GGAALO COc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4ccccc4F)CC3)c2c1 ZINC000020259470 570250750 /nfs/dbraw/zinc/25/07/50/570250750.db2.gz YKPVRQNBNZTCMD-UHFFFAOYSA-N 1 2 382.435 3.259 50 0 biogenic,in-vitro GGAALO COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@@H+](C)CC4)c(OC)c1 ZINC000020289886 570251310 /nfs/dbraw/zinc/25/13/10/570251310.db2.gz XXTWZTDZQOVNMD-UHFFFAOYSA-N 1 2 398.488 3.136 50 0 GGAALO COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@H+](C)CC4)c(OC)c1 ZINC000020289886 570251312 /nfs/dbraw/zinc/25/13/12/570251312.db2.gz XXTWZTDZQOVNMD-UHFFFAOYSA-N 1 2 398.488 3.136 50 0 GGAALO Cc1c(C(=O)N2CC[NH+](C)CC2)sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 ZINC000020327699 570252329 /nfs/dbraw/zinc/25/23/29/570252329.db2.gz KDPJHUQDDMDVFM-OWCLPIDISA-N 1 2 397.548 3.011 50 0 GGAALO COc1cccc(C[NH+]2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 ZINC000020344471 570252610 /nfs/dbraw/zinc/25/26/10/570252610.db2.gz TVVMJMQFCIPBCZ-UHFFFAOYSA-N 1 2 388.533 3.127 50 0 GGAALO Cc1ccccc1NC(=O)CSc1nc2sc3c(c2c(N)n1)CC[N@@H+](C)C3 ZINC000020358230 570252972 /nfs/dbraw/zinc/25/29/72/570252972.db2.gz WEHLNCRYFGOYGU-UHFFFAOYSA-N 1 2 399.545 3.301 50 0 GGAALO Cc1ccccc1NC(=O)CSc1nc2sc3c(c2c(N)n1)CC[N@H+](C)C3 ZINC000020358230 570252975 /nfs/dbraw/zinc/25/29/75/570252975.db2.gz WEHLNCRYFGOYGU-UHFFFAOYSA-N 1 2 399.545 3.301 50 0 GGAALO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097756739 570253023 /nfs/dbraw/zinc/25/30/23/570253023.db2.gz YJYNUBXPJQOMJC-FQEVSTJZSA-N 1 2 391.427 3.033 50 0 GGAALO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097756739 570253027 /nfs/dbraw/zinc/25/30/27/570253027.db2.gz YJYNUBXPJQOMJC-FQEVSTJZSA-N 1 2 391.427 3.033 50 0 GGAALO COc1ccc(C(=O)Oc2cc(C)c(C[NH+]3CCOCC3)cc2C)cc1OC ZINC000020661201 570255416 /nfs/dbraw/zinc/25/54/16/570255416.db2.gz XYVMVRRJZQOCJP-UHFFFAOYSA-N 1 2 385.460 3.372 50 0 GGAALO COCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](C)C3 ZINC000020439912 570256105 /nfs/dbraw/zinc/25/61/05/570256105.db2.gz YUJAPHPTNZQHTO-UHFFFAOYSA-N 1 2 387.530 3.174 50 0 GGAALO COCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](C)C3 ZINC000020439912 570256109 /nfs/dbraw/zinc/25/61/09/570256109.db2.gz YUJAPHPTNZQHTO-UHFFFAOYSA-N 1 2 387.530 3.174 50 0 GGAALO O=C(CN1CC[NH+](Cc2cccc(Cl)c2)CC1)Nc1ccc(F)cc1F ZINC000020437254 570256122 /nfs/dbraw/zinc/25/61/22/570256122.db2.gz YWTAGSJFDAHEAB-UHFFFAOYSA-N 1 2 379.838 3.375 50 0 GGAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3[nH]c4ccc(Cl)cc4c(=O)c3C2)cc1 ZINC000048987353 570256431 /nfs/dbraw/zinc/25/64/31/570256431.db2.gz LXPQRFKJNUOOBY-UHFFFAOYSA-N 1 2 381.863 3.487 50 0 GGAALO Cc1ccc(NC(=O)C[N@H+]2CCc3[nH]c4ccc(Cl)cc4c(=O)c3C2)cc1 ZINC000048987353 570256434 /nfs/dbraw/zinc/25/64/34/570256434.db2.gz LXPQRFKJNUOOBY-UHFFFAOYSA-N 1 2 381.863 3.487 50 0 GGAALO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000020450149 570256437 /nfs/dbraw/zinc/25/64/37/570256437.db2.gz LKYNJGYQTCFKFI-KRWDZBQOSA-N 1 2 387.871 3.069 50 0 GGAALO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2CCO)c(F)c1 ZINC000104296770 570256531 /nfs/dbraw/zinc/25/65/31/570256531.db2.gz DDEOPYFQUYGOJE-LJQANCHMSA-N 1 2 376.447 3.042 50 0 GGAALO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2CCO)c(F)c1 ZINC000104296770 570256533 /nfs/dbraw/zinc/25/65/33/570256533.db2.gz DDEOPYFQUYGOJE-LJQANCHMSA-N 1 2 376.447 3.042 50 0 GGAALO Cc1cc2nc(C[N@@H+]3CCC[C@@H](CCc4ccc(F)c(F)c4)C3)cc(=O)n2[nH]1 ZINC000102070231 570256570 /nfs/dbraw/zinc/25/65/70/570256570.db2.gz HBKOQPXOORCCJX-INIZCTEOSA-N 1 2 386.446 3.454 50 0 GGAALO Cc1cc2nc(C[N@H+]3CCC[C@@H](CCc4ccc(F)c(F)c4)C3)cc(=O)n2[nH]1 ZINC000102070231 570256572 /nfs/dbraw/zinc/25/65/72/570256572.db2.gz HBKOQPXOORCCJX-INIZCTEOSA-N 1 2 386.446 3.454 50 0 GGAALO CC(=O)Nc1ccc(C[N@@H+]2CCN(Cc3ccccc3C)[C@H](CCO)C2)cc1 ZINC000104310540 570256602 /nfs/dbraw/zinc/25/66/02/570256602.db2.gz YCUDBWCXPLYGTP-HSZRJFAPSA-N 1 2 381.520 3.022 50 0 GGAALO CC(=O)Nc1ccc(C[N@H+]2CCN(Cc3ccccc3C)[C@H](CCO)C2)cc1 ZINC000104310540 570256605 /nfs/dbraw/zinc/25/66/05/570256605.db2.gz YCUDBWCXPLYGTP-HSZRJFAPSA-N 1 2 381.520 3.022 50 0 GGAALO Cc1ccc(NC(=O)C[N@@H+]2CCc3[nH]c4ccccc4c(=O)c3C2)cc1Cl ZINC000048988361 570256771 /nfs/dbraw/zinc/25/67/71/570256771.db2.gz WQRPNPZDZCOFSS-UHFFFAOYSA-N 1 2 381.863 3.487 50 0 GGAALO Cc1ccc(NC(=O)C[N@H+]2CCc3[nH]c4ccccc4c(=O)c3C2)cc1Cl ZINC000048988361 570256775 /nfs/dbraw/zinc/25/67/75/570256775.db2.gz WQRPNPZDZCOFSS-UHFFFAOYSA-N 1 2 381.863 3.487 50 0 GGAALO Cc1cccc(-n2cc(C[NH+]3CCN(C=O)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000020451973 570257141 /nfs/dbraw/zinc/25/71/41/570257141.db2.gz QYOOIVCSHCKFRD-UHFFFAOYSA-N 1 2 378.451 3.261 50 0 GGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(OC)c(C)c2)C[C@H]1CCO ZINC000104373162 570258057 /nfs/dbraw/zinc/25/80/57/570258057.db2.gz ULCQMUGVIUTXMI-JOCHJYFZSA-N 1 2 398.547 3.471 50 0 GGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(OC)c(C)c2)C[C@H]1CCO ZINC000104373162 570258058 /nfs/dbraw/zinc/25/80/58/570258058.db2.gz ULCQMUGVIUTXMI-JOCHJYFZSA-N 1 2 398.547 3.471 50 0 GGAALO CCOc1ccc(C[N@H+]2CCN(Cc3cc(C(C)C)[nH]n3)C[C@H]2CCO)cc1 ZINC000104448343 570258347 /nfs/dbraw/zinc/25/83/47/570258347.db2.gz TXAPWBXSCCCENM-HXUWFJFHSA-N 1 2 386.540 3.001 50 0 GGAALO COc1ccc(C[N@@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)c(F)c1 ZINC000104423028 570258366 /nfs/dbraw/zinc/25/83/66/570258366.db2.gz GODZKQRMRYBSFY-LJQANCHMSA-N 1 2 394.437 3.181 50 0 GGAALO COc1ccc(C[N@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)c(F)c1 ZINC000104423028 570258368 /nfs/dbraw/zinc/25/83/68/570258368.db2.gz GODZKQRMRYBSFY-LJQANCHMSA-N 1 2 394.437 3.181 50 0 GGAALO Cc1c2ccccc2[nH]c1CN1CC[N@H+](Cc2cccc(C)n2)[C@H](CCO)C1 ZINC000104458087 570258678 /nfs/dbraw/zinc/25/86/78/570258678.db2.gz LEHLBDNKHAKNPY-HXUWFJFHSA-N 1 2 378.520 3.249 50 0 GGAALO Cc1c2ccccc2[nH]c1CN1CC[N@@H+](Cc2cccc(C)n2)[C@H](CCO)C1 ZINC000104458087 570258681 /nfs/dbraw/zinc/25/86/81/570258681.db2.gz LEHLBDNKHAKNPY-HXUWFJFHSA-N 1 2 378.520 3.249 50 0 GGAALO O=C(C[NH+]1CCC(c2nnc(-c3ccco3)o2)CC1)Nc1cc(F)ccc1F ZINC000049372046 570263124 /nfs/dbraw/zinc/26/31/24/570263124.db2.gz WJXMQVVIMRDYNW-UHFFFAOYSA-N 1 2 388.374 3.426 50 0 GGAALO CC1(C)Cc2nc(-c3ccccc3)nc(SCC[NH+]3CCOCC3)c2CO1 ZINC000020533561 570265842 /nfs/dbraw/zinc/26/58/42/570265842.db2.gz INLBPUCLOHBNEH-UHFFFAOYSA-N 1 2 385.533 3.419 50 0 GGAALO OCC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCN1Cc1cccs1 ZINC000020534457 570265877 /nfs/dbraw/zinc/26/58/77/570265877.db2.gz AJKNTCSFFAZSBR-LJQANCHMSA-N 1 2 382.533 3.207 50 0 GGAALO OCC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CCN1Cc1cccs1 ZINC000020534457 570265879 /nfs/dbraw/zinc/26/58/79/570265879.db2.gz AJKNTCSFFAZSBR-LJQANCHMSA-N 1 2 382.533 3.207 50 0 GGAALO Cc1cc(CN(C)C(=O)c2ccc([C@@H]3CCCN3Cc3[nH]cc[nH+]3)s2)on1 ZINC000020534113 570265951 /nfs/dbraw/zinc/26/59/51/570265951.db2.gz BYWKJTHCUDJELN-HNNXBMFYSA-N 1 2 385.493 3.377 50 0 GGAALO Cc1nn2c(nc(C)cc2NCC[NH+]2CCOCC2)c1-c1ccccc1Cl ZINC000020533570 570265970 /nfs/dbraw/zinc/26/59/70/570265970.db2.gz QNISAJDGDULVEH-UHFFFAOYSA-N 1 2 385.899 3.411 50 0 GGAALO Cc1cccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccc(Cl)cc4)CC3)C2=O)c1 ZINC000100095799 570266027 /nfs/dbraw/zinc/26/60/27/570266027.db2.gz GWMVWYCSNCNPMB-HXUWFJFHSA-N 1 2 397.906 3.098 50 0 GGAALO COc1ccc(OC)c([C@@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000049420901 570267319 /nfs/dbraw/zinc/26/73/19/570267319.db2.gz JIOZPLVDJXUSKQ-IBGZPJMESA-N 1 2 376.884 3.213 50 0 GGAALO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560192 570267979 /nfs/dbraw/zinc/26/79/79/570267979.db2.gz IERAHTCHEQFAEG-OAQYLSRUSA-N 1 2 393.487 3.298 50 0 GGAALO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560192 570267981 /nfs/dbraw/zinc/26/79/81/570267981.db2.gz IERAHTCHEQFAEG-OAQYLSRUSA-N 1 2 393.487 3.298 50 0 GGAALO c1ccc([C@H]2NC3=[NH+]CN(C4CCCCC4)CN3c3nc4ccccc4n32)nc1 ZINC000020567798 570268270 /nfs/dbraw/zinc/26/82/70/570268270.db2.gz BPUKPTSPCZIABY-FQEVSTJZSA-N 1 2 387.491 3.307 50 0 GGAALO CCOC(=O)c1c(C)nc(-c2ccccc2)nc1SCC[NH+]1CCOCC1 ZINC000020590661 570269243 /nfs/dbraw/zinc/26/92/43/570269243.db2.gz WRDFWHGTYOCHQE-UHFFFAOYSA-N 1 2 387.505 3.053 50 0 GGAALO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2nccs2)CC1 ZINC000020600845 570269929 /nfs/dbraw/zinc/26/99/29/570269929.db2.gz NCQQEUJOKMQRRA-UHFFFAOYSA-N 1 2 381.505 3.358 50 0 GGAALO CC[C@H](C)c1[nH]nc2c1C[N@H+](Cc1ccc(OC)c(Cn3cncn3)c1)CC2 ZINC000020600987 570270153 /nfs/dbraw/zinc/27/01/53/570270153.db2.gz OKKYMLNBWWNLHF-HNNXBMFYSA-N 1 2 380.496 3.130 50 0 GGAALO CC[C@H](C)c1[nH]nc2c1C[N@@H+](Cc1ccc(OC)c(Cn3cncn3)c1)CC2 ZINC000020600987 570270156 /nfs/dbraw/zinc/27/01/56/570270156.db2.gz OKKYMLNBWWNLHF-HNNXBMFYSA-N 1 2 380.496 3.130 50 0 GGAALO Cc1ccc2[nH]c(CCCNC(=O)N(C)Cc3nncn3C(C)C)[nH+]c2c1C ZINC000584902315 570271741 /nfs/dbraw/zinc/27/17/41/570271741.db2.gz QCHRKBJMSKGYFQ-UHFFFAOYSA-N 1 2 383.500 3.126 50 0 GGAALO CC(C)c1nnsc1CNC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000584902814 570272073 /nfs/dbraw/zinc/27/20/73/570272073.db2.gz OPOKCULQUVXLAI-UHFFFAOYSA-N 1 2 384.509 3.248 50 0 GGAALO Cc1ccc2c(C[NH+]3CCN(CCc4ccccn4)CC3)cc(=O)oc2c1C ZINC000020725710 570276794 /nfs/dbraw/zinc/27/67/94/570276794.db2.gz IWGRHHNAIVLJOY-UHFFFAOYSA-N 1 2 377.488 3.165 50 0 GGAALO CCOc1ccccc1CCCNC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020726481 570277081 /nfs/dbraw/zinc/27/70/81/570277081.db2.gz NEJXDJULKQPLME-UHFFFAOYSA-N 1 2 382.504 3.280 50 0 GGAALO COc1ccc2c(ccn2CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000020738816 570278426 /nfs/dbraw/zinc/27/84/26/570278426.db2.gz CGOWQIDVTPZFQI-UHFFFAOYSA-N 1 2 379.460 3.121 50 0 GGAALO OCC[C@H]1C[N@H+](Cc2ccc3cc(F)ccc3n2)CCN1Cc1ccccc1 ZINC000020786031 570280648 /nfs/dbraw/zinc/28/06/48/570280648.db2.gz GRJSSLHGUQIAOT-QFIPXVFZSA-N 1 2 379.479 3.443 50 0 GGAALO OCC[C@H]1C[N@@H+](Cc2ccc3cc(F)ccc3n2)CCN1Cc1ccccc1 ZINC000020786031 570280650 /nfs/dbraw/zinc/28/06/50/570280650.db2.gz GRJSSLHGUQIAOT-QFIPXVFZSA-N 1 2 379.479 3.443 50 0 GGAALO CCOc1ccc(Nc2nc(NN)[nH+]c(Nc3ccc(OCC)cc3)n2)cc1 ZINC000002273017 570280903 /nfs/dbraw/zinc/28/09/03/570280903.db2.gz OVCRWTMYPJJACN-UHFFFAOYSA-N 1 2 381.440 3.442 50 0 GGAALO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@@H]2c2ccc(C(N)=O)s2)cc1 ZINC000020821150 570281964 /nfs/dbraw/zinc/28/19/64/570281964.db2.gz BJMZTUGPMUBPQV-MRXNPFEDSA-N 1 2 382.489 3.378 50 0 GGAALO COc1ccc(-n2ccnc2C[N@H+]2CCC[C@@H]2c2ccc(C(N)=O)s2)cc1 ZINC000020821150 570281966 /nfs/dbraw/zinc/28/19/66/570281966.db2.gz BJMZTUGPMUBPQV-MRXNPFEDSA-N 1 2 382.489 3.378 50 0 GGAALO CCN1CC[NH+](C2(C(=O)NCCCC3CCCC3)Cc3ccccc3C2)CC1 ZINC000020916630 570284433 /nfs/dbraw/zinc/28/44/33/570284433.db2.gz QPBPKKHSZQPIHT-UHFFFAOYSA-N 1 2 383.580 3.248 50 0 GGAALO Cc1cccn2cc(-c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)[nH+]c12 ZINC000006184437 570316982 /nfs/dbraw/zinc/31/69/82/570316982.db2.gz CIRGAQHCUJTAES-HZPDHXFCSA-N 1 2 385.489 3.108 50 0 GGAALO O=C1[C@H]2[C@H]3CSC[N@@H+]3[C@@H](C=Cc3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000109496392 570320602 /nfs/dbraw/zinc/32/06/02/570320602.db2.gz MBXWDSGZEQLRNI-LFOMKXGLSA-N 1 2 376.481 3.263 50 0 GGAALO O=C1[C@H]2[C@H]3CSC[N@H+]3[C@@H](C=Cc3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000109496392 570320603 /nfs/dbraw/zinc/32/06/03/570320603.db2.gz MBXWDSGZEQLRNI-LFOMKXGLSA-N 1 2 376.481 3.263 50 0 GGAALO Cc1cccc(C[N@@H+]2CCN(Cc3ccc4cc(F)ccc4n3)C[C@@H]2CCO)n1 ZINC000022912934 570334234 /nfs/dbraw/zinc/33/42/34/570334234.db2.gz BOQVRPNILLVDAS-QFIPXVFZSA-N 1 2 394.494 3.146 50 0 GGAALO Cc1cccc(C[N@H+]2CCN(Cc3ccc4cc(F)ccc4n3)C[C@@H]2CCO)n1 ZINC000022912934 570334236 /nfs/dbraw/zinc/33/42/36/570334236.db2.gz BOQVRPNILLVDAS-QFIPXVFZSA-N 1 2 394.494 3.146 50 0 GGAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000575615094 570352278 /nfs/dbraw/zinc/35/22/78/570352278.db2.gz BIVCFMMDLFITOX-GOSISDBHSA-N 1 2 392.459 3.045 50 0 GGAALO Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC([N@@H+]2CCc3sccc3C2)C1 ZINC000390827818 570359270 /nfs/dbraw/zinc/35/92/70/570359270.db2.gz KPRSZHKAYFSOON-UHFFFAOYSA-N 1 2 396.491 3.170 50 0 GGAALO Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC([N@H+]2CCc3sccc3C2)C1 ZINC000390827818 570359271 /nfs/dbraw/zinc/35/92/71/570359271.db2.gz KPRSZHKAYFSOON-UHFFFAOYSA-N 1 2 396.491 3.170 50 0 GGAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)OCO3)C1 ZINC000575616965 570359507 /nfs/dbraw/zinc/35/95/07/570359507.db2.gz LPTJIMUUSFKERF-HOCLYGCPSA-N 1 2 393.443 3.314 50 0 GGAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)c2ccc(N3CCOCC3)cc2)C1 ZINC000575617309 570360658 /nfs/dbraw/zinc/36/06/58/570360658.db2.gz NPDWCUYBBTWJGQ-FQEVSTJZSA-N 1 2 390.487 3.269 50 0 GGAALO COC(=O)C[C@H](c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O)C1CCCCC1 ZINC000604418496 570362443 /nfs/dbraw/zinc/36/24/43/570362443.db2.gz DODFZXRWLLEXMC-KRWDZBQOSA-N 1 2 387.480 3.055 50 0 GGAALO COC(=O)C[C@H](c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O)C1CCCCC1 ZINC000604418496 570362446 /nfs/dbraw/zinc/36/24/46/570362446.db2.gz DODFZXRWLLEXMC-KRWDZBQOSA-N 1 2 387.480 3.055 50 0 GGAALO CCn1nc(C)cc1C(=O)NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000004324448 570367906 /nfs/dbraw/zinc/36/79/06/570367906.db2.gz NYWCRCUOYVFGCJ-UHFFFAOYSA-N 1 2 378.879 3.398 50 0 GGAALO CCCOc1c(C[N@@H+]2CCn3nc([C@H](C)O)cc3C2)cc(Cl)cc1OC ZINC000219907318 570378010 /nfs/dbraw/zinc/37/80/10/570378010.db2.gz HJIUEADHUFBFMV-ZDUSSCGKSA-N 1 2 379.888 3.403 50 0 GGAALO CCCOc1c(C[N@H+]2CCn3nc([C@H](C)O)cc3C2)cc(Cl)cc1OC ZINC000219907318 570378011 /nfs/dbraw/zinc/37/80/11/570378011.db2.gz HJIUEADHUFBFMV-ZDUSSCGKSA-N 1 2 379.888 3.403 50 0 GGAALO O=C(Cc1cccc2ccccc21)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000090609102 570384995 /nfs/dbraw/zinc/38/49/95/570384995.db2.gz HQMONDIZZGFRJZ-FQEVSTJZSA-N 1 2 384.545 3.049 50 0 GGAALO CCOC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(C)CC1)COC(C)(C)C2 ZINC000004844159 570411321 /nfs/dbraw/zinc/41/13/21/570411321.db2.gz NGRSSOTUFPZEMF-UHFFFAOYSA-N 1 2 394.537 3.447 50 0 GGAALO CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)cc1 ZINC000027580333 570436250 /nfs/dbraw/zinc/43/62/50/570436250.db2.gz VMASDVSBIYRESR-QFIPXVFZSA-N 1 2 382.504 3.126 50 0 GGAALO Cc1ccc([C@@H](CNC(=O)COc2cccc(Cl)c2)[NH+]2CCOCC2)cc1 ZINC000027581458 570436432 /nfs/dbraw/zinc/43/64/32/570436432.db2.gz WOBIUDJICLUHSO-HXUWFJFHSA-N 1 2 388.895 3.217 50 0 GGAALO Cc1ccc([C@H](CNC(=O)COc2cc(C)cc(C)c2)[NH+]2CCOCC2)cc1 ZINC000027582856 570436752 /nfs/dbraw/zinc/43/67/52/570436752.db2.gz YIFVNUJMPMCWPE-QFIPXVFZSA-N 1 2 382.504 3.180 50 0 GGAALO CC(C)c1ccc(OCC(=O)NCC2(N3CC[NH+](C)CC3)CCCCC2)cc1 ZINC000027663359 570438697 /nfs/dbraw/zinc/43/86/97/570438697.db2.gz IWXYQSSGYZJZQL-UHFFFAOYSA-N 1 2 387.568 3.255 50 0 GGAALO O=c1[nH]c(=S)n(-c2ccccc2)c(O)c1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000100758517 570441782 /nfs/dbraw/zinc/44/17/82/570441782.db2.gz IQXHSMNONIKKQE-GOSISDBHSA-N 1 2 390.468 3.317 50 0 biogenic GGAALO COc1ccccc1[C@H](CNC(=O)c1cc(=O)c2ccc(C)c(C)c2o1)[NH+](C)C ZINC000028288380 570454908 /nfs/dbraw/zinc/45/49/08/570454908.db2.gz ZAAQLSXHXTUNCJ-SFHVURJKSA-N 1 2 394.471 3.451 50 0 GGAALO COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000035833240 570461562 /nfs/dbraw/zinc/46/15/62/570461562.db2.gz NCEXVWDVKCPYHR-UHFFFAOYSA-N 1 2 377.444 3.260 50 0 GGAALO COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000035833240 570461565 /nfs/dbraw/zinc/46/15/65/570461565.db2.gz NCEXVWDVKCPYHR-UHFFFAOYSA-N 1 2 377.444 3.260 50 0 GGAALO COC(=O)c1c(NC(=O)C[N@@H+]2CCc3ccccc3C2)c2c(cccc2C)n1C ZINC000035851518 570465409 /nfs/dbraw/zinc/46/54/09/570465409.db2.gz HOFHADVXGGIFKF-UHFFFAOYSA-N 1 2 391.471 3.270 50 0 GGAALO COC(=O)c1c(NC(=O)C[N@H+]2CCc3ccccc3C2)c2c(cccc2C)n1C ZINC000035851518 570465415 /nfs/dbraw/zinc/46/54/15/570465415.db2.gz HOFHADVXGGIFKF-UHFFFAOYSA-N 1 2 391.471 3.270 50 0 GGAALO COc1cccc(N2CCN(C(=O)CCn3c(C)[nH+]c4ccccc43)CC2)c1 ZINC000005210189 570507357 /nfs/dbraw/zinc/50/73/57/570507357.db2.gz HPNYIUCNACBRRQ-UHFFFAOYSA-N 1 2 378.476 3.092 50 0 GGAALO Cc1coc2c1cc1c(C)c(CC(=O)NCCCn3cc[nH+]c3)c(=O)oc1c2C ZINC000006623704 570507504 /nfs/dbraw/zinc/50/75/04/570507504.db2.gz UUZFDVJYQQMMBH-UHFFFAOYSA-N 1 2 393.443 3.410 50 0 biogenic GGAALO COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000032744792 570513378 /nfs/dbraw/zinc/51/33/78/570513378.db2.gz PAAWZFUGLLBPSI-INIZCTEOSA-N 1 2 384.476 3.027 50 0 GGAALO O=C(c1cn2c3c(cccc3c1=O)CC2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000033089058 570520238 /nfs/dbraw/zinc/52/02/38/570520238.db2.gz ABOCGWZTPORHEZ-VMPITWQZSA-N 1 2 399.494 3.029 50 0 GGAALO CCCCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000033893153 570529725 /nfs/dbraw/zinc/52/97/25/570529725.db2.gz PVSUADKLTZLQEC-UHFFFAOYSA-N 1 2 388.533 3.372 50 0 GGAALO CCCC(=O)C1C([NH+]=c2[nH]c3ccccc3[nH]2)=CC(C)(C)C(C(=O)OC)=C1O ZINC000001234027 570535842 /nfs/dbraw/zinc/53/58/42/570535842.db2.gz ORUYGWMTYAVBAF-KRWDZBQOSA-N 1 2 383.448 3.386 50 0 GGAALO O=C(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)C(=O)NC1CCCC1 ZINC000022766670 570544069 /nfs/dbraw/zinc/54/40/69/570544069.db2.gz OWISPJYCXAYQJY-HXUWFJFHSA-N 1 2 397.544 3.023 50 0 GGAALO O=C(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)C(=O)NC1CCCC1 ZINC000022766670 570544072 /nfs/dbraw/zinc/54/40/72/570544072.db2.gz OWISPJYCXAYQJY-HXUWFJFHSA-N 1 2 397.544 3.023 50 0 GGAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(CC)cc1)[NH+]1CCC(O)CC1)S2 ZINC000022855199 570557952 /nfs/dbraw/zinc/55/79/52/570557952.db2.gz STPJJFXEYRFYFY-QGZVFWFLSA-N 1 2 386.521 3.167 50 0 GGAALO O=C(C[NH+]1CCN(c2ncccn2)CC1)N1c2ccccc2CCc2ccccc21 ZINC000035828006 570558414 /nfs/dbraw/zinc/55/84/14/570558414.db2.gz LAAPTCUBKAKCBI-UHFFFAOYSA-N 1 2 399.498 3.062 50 0 GGAALO COc1cc2c(cc1OC)C[N@H+](CC(=O)NC13CC4CC(CC(C4)C1)C3)CC2 ZINC000005345971 570561262 /nfs/dbraw/zinc/56/12/62/570561262.db2.gz AJWZKIHSOWNLKX-UHFFFAOYSA-N 1 2 384.520 3.147 50 0 GGAALO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NC13CC4CC(CC(C4)C1)C3)CC2 ZINC000005345971 570561265 /nfs/dbraw/zinc/56/12/65/570561265.db2.gz AJWZKIHSOWNLKX-UHFFFAOYSA-N 1 2 384.520 3.147 50 0 GGAALO O=c1c(CN2CC[N@H+](Cc3ccccc3F)[C@@H](CCO)C2)coc2ccccc12 ZINC000022919767 570575711 /nfs/dbraw/zinc/57/57/11/570575711.db2.gz LPCDKNXTWLPOLP-IBGZPJMESA-N 1 2 396.462 3.001 50 0 GGAALO O=c1c(CN2CC[N@@H+](Cc3ccccc3F)[C@@H](CCO)C2)coc2ccccc12 ZINC000022919767 570575713 /nfs/dbraw/zinc/57/57/13/570575713.db2.gz LPCDKNXTWLPOLP-IBGZPJMESA-N 1 2 396.462 3.001 50 0 GGAALO O=c1c(C[N@@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)coc2ccccc12 ZINC000022919767 570575714 /nfs/dbraw/zinc/57/57/14/570575714.db2.gz LPCDKNXTWLPOLP-IBGZPJMESA-N 1 2 396.462 3.001 50 0 GGAALO O=c1c(C[N@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)coc2ccccc12 ZINC000022919767 570575716 /nfs/dbraw/zinc/57/57/16/570575716.db2.gz LPCDKNXTWLPOLP-IBGZPJMESA-N 1 2 396.462 3.001 50 0 GGAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)c(C)c1 ZINC000038528342 570580554 /nfs/dbraw/zinc/58/05/54/570580554.db2.gz MMPVCHOJBISJCG-UHFFFAOYSA-N 1 2 380.496 3.048 50 0 GGAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)c(C)c1 ZINC000038528342 570580557 /nfs/dbraw/zinc/58/05/57/570580557.db2.gz MMPVCHOJBISJCG-UHFFFAOYSA-N 1 2 380.496 3.048 50 0 GGAALO COc1ccc(F)c(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c1 ZINC000039371665 570590287 /nfs/dbraw/zinc/59/02/87/570590287.db2.gz XDOBEPCHFUOGCL-QGZVFWFLSA-N 1 2 394.437 3.181 50 0 GGAALO COc1ccc(F)c(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c1 ZINC000039371665 570590291 /nfs/dbraw/zinc/59/02/91/570590291.db2.gz XDOBEPCHFUOGCL-QGZVFWFLSA-N 1 2 394.437 3.181 50 0 GGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccc(OC)c2)[C@H](CCO)C1 ZINC000039445553 570591291 /nfs/dbraw/zinc/59/12/91/570591291.db2.gz FSLRUFCVTQOTQI-OAQYLSRUSA-N 1 2 384.520 3.163 50 0 GGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2cccc(OC)c2)[C@H](CCO)C1 ZINC000039445553 570591293 /nfs/dbraw/zinc/59/12/93/570591293.db2.gz FSLRUFCVTQOTQI-OAQYLSRUSA-N 1 2 384.520 3.163 50 0 GGAALO CC(C)c1csc(CN2CC[N@H+](Cc3ccccc3F)[C@H](CCO)C2)n1 ZINC000039442512 570591390 /nfs/dbraw/zinc/59/13/90/570591390.db2.gz WSZPBZPNJLVVTN-QGZVFWFLSA-N 1 2 377.529 3.474 50 0 GGAALO CC(C)c1csc(CN2CC[N@@H+](Cc3ccccc3F)[C@H](CCO)C2)n1 ZINC000039442512 570591391 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Cc1cccc(CN2CC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C[C@@H]2CCO)n1 ZINC000019224351 570964039 /nfs/dbraw/zinc/96/40/39/570964039.db2.gz FUYVBOSIVCTKPX-QFIPXVFZSA-N 1 2 397.567 3.230 50 0 GGAALO CCN(CC)C(=O)[C@H]1CCCN(c2[nH+]cnc3c2cnn3-c2cccc(C)c2)C1 ZINC000004167187 570970391 /nfs/dbraw/zinc/97/03/91/570970391.db2.gz NIYDQEKNKGSFFJ-KRWDZBQOSA-N 1 2 392.507 3.209 50 0 GGAALO Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)CN2CC[NH+](C)CC2)cc1 ZINC000019371085 570980702 /nfs/dbraw/zinc/98/07/02/570980702.db2.gz RKTUKFJYWIAJRS-UHFFFAOYSA-N 1 2 391.471 3.158 50 0 GGAALO O=C(CCSc1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019373705 570981618 /nfs/dbraw/zinc/98/16/18/570981618.db2.gz MTEFETYKPVSABA-UHFFFAOYSA-N 1 2 384.501 3.242 50 0 GGAALO O=C(N1CCOCC1)N1c2ccccc2C[C@H]([NH+]2CCOCC2)c2ccccc21 ZINC000019375167 570981811 /nfs/dbraw/zinc/98/18/11/570981811.db2.gz JHUJWKJQQBFNPJ-QFIPXVFZSA-N 1 2 393.487 3.206 50 0 biogenic GGAALO CCOc1ccc(NC(=O)NCC[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000004791561 570992505 /nfs/dbraw/zinc/99/25/05/570992505.db2.gz BXMSQXRMJMGAMO-UHFFFAOYSA-N 1 2 386.471 3.168 50 0 GGAALO Cc1c(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccccc2n1C ZINC000551172609 570993891 /nfs/dbraw/zinc/99/38/91/570993891.db2.gz KMPZFNZLJQUWTQ-UHFFFAOYSA-N 1 2 380.473 3.151 50 0 GGAALO CCOc1cc(C[NH+]2CCN(C(=O)c3ccccc3OC)CC2)ccc1OC ZINC000019532053 570999086 /nfs/dbraw/zinc/99/90/86/570999086.db2.gz WHGDJTGBHXHHTB-UHFFFAOYSA-N 1 2 384.476 3.061 50 0 GGAALO COc1ccc(OC)c(CN2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)c1 ZINC000019551581 571001462 /nfs/dbraw/zinc/00/14/62/571001462.db2.gz SCZWTYXUFMVFNI-UHFFFAOYSA-N 1 2 386.492 3.039 50 0 GGAALO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(OC)c(OC)c3)CC2)c1 ZINC000019551581 571001466 /nfs/dbraw/zinc/00/14/66/571001466.db2.gz SCZWTYXUFMVFNI-UHFFFAOYSA-N 1 2 386.492 3.039 50 0 GGAALO COc1ccc(CN2CC[NH+](Cc3cccc(OC)c3OC)CC2)c(OC)c1 ZINC000019552402 571001526 /nfs/dbraw/zinc/00/15/26/571001526.db2.gz VUBKZNGKFPLWQK-UHFFFAOYSA-N 1 2 386.492 3.039 50 0 GGAALO COc1ccc(C[NH+]2CCN(Cc3cccc(OC)c3OC)CC2)c(OC)c1 ZINC000019552402 571001529 /nfs/dbraw/zinc/00/15/29/571001529.db2.gz VUBKZNGKFPLWQK-UHFFFAOYSA-N 1 2 386.492 3.039 50 0 GGAALO O=C(c1cc(C(F)(F)F)[nH]n1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091269658 571001823 /nfs/dbraw/zinc/00/18/23/571001823.db2.gz XRDKDFLIQJKWMN-HUUCEWRRSA-N 1 2 378.398 3.165 50 0 GGAALO O=C(c1cc(C(F)(F)F)[nH]n1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091269658 571001825 /nfs/dbraw/zinc/00/18/25/571001825.db2.gz XRDKDFLIQJKWMN-HUUCEWRRSA-N 1 2 378.398 3.165 50 0 GGAALO COc1cc(CN2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)cc(OC)c1 ZINC000019561070 571005481 /nfs/dbraw/zinc/00/54/81/571005481.db2.gz KDTOMLIBODJXQD-UHFFFAOYSA-N 1 2 386.492 3.039 50 0 biogenic GGAALO COc1cc(C[NH+]2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc(OC)c1 ZINC000019561070 571005484 /nfs/dbraw/zinc/00/54/84/571005484.db2.gz KDTOMLIBODJXQD-UHFFFAOYSA-N 1 2 386.492 3.039 50 0 biogenic GGAALO CCCc1n[nH]cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091411564 571006748 /nfs/dbraw/zinc/00/67/48/571006748.db2.gz YTVOOYVTGCPUFW-QGZVFWFLSA-N 1 2 378.480 3.022 50 0 GGAALO CCc1nc(C[NH+]2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)no1 ZINC000091434066 571007587 /nfs/dbraw/zinc/00/75/87/571007587.db2.gz RJVGENSADZGPDH-UHFFFAOYSA-N 1 2 382.508 3.079 50 0 GGAALO Cc1sc2ccccc2c1C[N@H+]1CCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000091444791 571008517 /nfs/dbraw/zinc/00/85/17/571008517.db2.gz JLOJFWPIKKNKCJ-UHFFFAOYSA-N 1 2 383.521 3.193 50 0 GGAALO Cc1sc2ccccc2c1C[N@@H+]1CCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000091444791 571008519 /nfs/dbraw/zinc/00/85/19/571008519.db2.gz JLOJFWPIKKNKCJ-UHFFFAOYSA-N 1 2 383.521 3.193 50 0 GGAALO O=C1CCC2(CC[NH+](Cc3nc(C(F)(F)F)no3)CC2)CN1C1CCCC1 ZINC000091587140 571016005 /nfs/dbraw/zinc/01/60/05/571016005.db2.gz OIYLRIPLCNERLH-UHFFFAOYSA-N 1 2 386.418 3.236 50 0 GGAALO Cc1c2cccc(F)c2[nH]c1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000091829653 571032111 /nfs/dbraw/zinc/03/21/11/571032111.db2.gz PBHPVXXVIQPZHZ-UHFFFAOYSA-N 1 2 381.451 3.452 50 0 GGAALO COCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3cccc(C)c3n2C)C1 ZINC000091950873 571037627 /nfs/dbraw/zinc/03/76/27/571037627.db2.gz AYNQHNLJGXOBAH-GOSISDBHSA-N 1 2 380.492 3.349 50 0 GGAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCC[C@H](OCc2ccccn2)C1 ZINC000091965796 571037975 /nfs/dbraw/zinc/03/79/75/571037975.db2.gz MTVRRSAYAGLGLU-FQEVSTJZSA-N 1 2 376.460 3.153 50 0 GGAALO COc1cccc(C[NH+]2CCN(C(=O)c3c[nH]nc3C3CCCCC3)CC2)c1 ZINC000091965415 571038045 /nfs/dbraw/zinc/03/80/45/571038045.db2.gz QKTNYHIRBHWRAG-UHFFFAOYSA-N 1 2 382.508 3.424 50 0 GGAALO Cc1ccc2[nH]c(CCNC(=O)[C@H]3CCC(=O)N(C4CCCC4)C3)[nH+]c2c1C ZINC000092106983 571045460 /nfs/dbraw/zinc/04/54/60/571045460.db2.gz MJIMBVXEUVNXTL-INIZCTEOSA-N 1 2 382.508 3.020 50 0 GGAALO COc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)o1 ZINC000095361806 571055443 /nfs/dbraw/zinc/05/54/43/571055443.db2.gz IONGSULTMRYYEV-VHKYSDTDSA-N 1 2 388.414 3.269 50 0 GGAALO CCSc1ncc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)cn1 ZINC000095362607 571056516 /nfs/dbraw/zinc/05/65/16/571056516.db2.gz SLIBVODAAIKNST-VQIMIIECSA-N 1 2 382.533 3.325 50 0 GGAALO CCSc1ncc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccc2)C3)cn1 ZINC000095362607 571056520 /nfs/dbraw/zinc/05/65/20/571056520.db2.gz SLIBVODAAIKNST-VQIMIIECSA-N 1 2 382.533 3.325 50 0 GGAALO O=C(c1ccccc1-n1cccn1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095363891 571056977 /nfs/dbraw/zinc/05/69/77/571056977.db2.gz YDDJYBOPRBNJMA-UHFFFAOYSA-N 1 2 375.476 3.499 50 0 GGAALO CC(C)C(=O)Nc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(Cn3cc[nH+]c3)CC2)cc1 ZINC000095365844 571058020 /nfs/dbraw/zinc/05/80/20/571058020.db2.gz HOJWGINFLRSBSS-IBGZPJMESA-N 1 2 384.480 3.016 50 0 GGAALO Cc1ccccc1C(=O)N1CCC2(CCC(=O)N(CCCn3cc[nH+]c3)C2)CC1 ZINC000095370063 571060434 /nfs/dbraw/zinc/06/04/34/571060434.db2.gz PWCUSULBYSLUTP-UHFFFAOYSA-N 1 2 394.519 3.127 50 0 GGAALO CCc1noc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(CC)C3)n1 ZINC000095371775 571061220 /nfs/dbraw/zinc/06/12/20/571061220.db2.gz AAZNNBXOOGXPRB-GOSISDBHSA-N 1 2 382.508 3.250 50 0 GGAALO COc1cc2nc(NC[C@@H]3CCOc4ccccc4C3)[nH+]c(N)c2cc1OC ZINC000095373209 571062315 /nfs/dbraw/zinc/06/23/15/571062315.db2.gz LRONQMGKWNRRJT-CYBMUJFWSA-N 1 2 380.448 3.283 50 0 GGAALO CCc1noc(C)c1C(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095373942 571062649 /nfs/dbraw/zinc/06/26/49/571062649.db2.gz CEZOOHMKXWAWTM-QGZVFWFLSA-N 1 2 379.464 3.205 50 0 GGAALO O=C(c1c[nH]nc1-c1ccccc1)N(CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000095375940 571064346 /nfs/dbraw/zinc/06/43/46/571064346.db2.gz HOHOSGXVENWBLY-UHFFFAOYSA-N 1 2 386.459 3.401 50 0 GGAALO O=S(=O)(c1ccccc1F)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095376663 571064805 /nfs/dbraw/zinc/06/48/05/571064805.db2.gz OKAHJYYJOURTFL-INIZCTEOSA-N 1 2 377.485 3.391 50 0 GGAALO O=C(Cc1cccc(F)c1)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095378007 571065661 /nfs/dbraw/zinc/06/56/61/571065661.db2.gz XNOSACSDUGHSEA-LJQANCHMSA-N 1 2 378.451 3.414 50 0 GGAALO O=C(c1cccn1C1CC1)N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095380196 571067144 /nfs/dbraw/zinc/06/71/44/571067144.db2.gz IQXHQOGPLAQJCV-GOSISDBHSA-N 1 2 375.476 3.483 50 0 GGAALO Cc1ccc(C(=O)[O-])c(N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)[nH+]1 ZINC000095382512 571068667 /nfs/dbraw/zinc/06/86/67/571068667.db2.gz GFITUEZMRHKVDC-XUVXKRRUSA-N 1 2 381.451 3.294 50 0 GGAALO Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cscn2)C3)c2ccccc21 ZINC000095391528 571073040 /nfs/dbraw/zinc/07/30/40/571073040.db2.gz YKUPAMRWJYSCLA-DOTOQJQBSA-N 1 2 380.517 3.371 50 0 GGAALO Cn1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cscn2)C3)c2ccccc21 ZINC000095391528 571073042 /nfs/dbraw/zinc/07/30/42/571073042.db2.gz YKUPAMRWJYSCLA-DOTOQJQBSA-N 1 2 380.517 3.371 50 0 GGAALO Cc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)c(O)c1 ZINC000095503233 571077154 /nfs/dbraw/zinc/07/71/54/571077154.db2.gz AVWNNILKFYXUMZ-KRWDZBQOSA-N 1 2 376.460 3.360 50 0 GGAALO O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 ZINC000095517888 571084731 /nfs/dbraw/zinc/08/47/31/571084731.db2.gz IHKUDLHVNQXSFY-FQEVSTJZSA-N 1 2 392.434 3.388 50 0 GGAALO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3nnc(C)[nH]3)C2)cc1Cl ZINC000095523252 571088622 /nfs/dbraw/zinc/08/86/22/571088622.db2.gz PBJNRHXQMZJQHG-CQSZACIVSA-N 1 2 391.903 3.406 50 0 GGAALO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3nnc(C)[nH]3)C2)cc1Cl ZINC000095523252 571088625 /nfs/dbraw/zinc/08/86/25/571088625.db2.gz PBJNRHXQMZJQHG-CQSZACIVSA-N 1 2 391.903 3.406 50 0 GGAALO O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)NCCCn1cc[nH+]c1 ZINC000002771129 1398319204 /nfs/dbraw/zinc/31/92/04/1398319204.db2.gz YYAMPOXCVUFGFX-UHFFFAOYSA-N 1 2 389.809 3.226 50 0 GGAALO CCOC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CC[N@H+](C)C2 ZINC000004086898 1398379525 /nfs/dbraw/zinc/37/95/25/1398379525.db2.gz PHNNNZJHQNWVPO-UHFFFAOYSA-N 1 2 380.416 3.443 50 0 GGAALO CCOC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CC[N@@H+](C)C2 ZINC000004086898 1398379531 /nfs/dbraw/zinc/37/95/31/1398379531.db2.gz PHNNNZJHQNWVPO-UHFFFAOYSA-N 1 2 380.416 3.443 50 0 GGAALO Cc1cc(NC(=O)CSc2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)no1 ZINC000004251306 1398386414 /nfs/dbraw/zinc/38/64/14/1398386414.db2.gz OPCPGRDOFPTDDF-UHFFFAOYSA-N 1 2 392.444 3.357 50 0 GGAALO O=C(CSc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1)NC1CCCC1 ZINC000004251298 1398386423 /nfs/dbraw/zinc/38/64/23/1398386423.db2.gz OTYXWABCBQLZBZ-UHFFFAOYSA-N 1 2 379.489 3.480 50 0 GGAALO CCOC(=O)CN1C(=O)S/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000004551406 1398400880 /nfs/dbraw/zinc/40/08/80/1398400880.db2.gz OQZYTVQVFZBWCI-SFQUDFHCSA-N 1 2 399.472 3.143 50 0 GGAALO O[C@@H](c1ccncc1)c1ccc2c(c1)C[N@@H+](Cc1cccc3c1OCO3)CCO2 ZINC000012159724 1399031091 /nfs/dbraw/zinc/03/10/91/1399031091.db2.gz YATHZLFQVJDPCH-QFIPXVFZSA-N 1 2 390.439 3.287 50 0 GGAALO O[C@@H](c1ccncc1)c1ccc2c(c1)C[N@H+](Cc1cccc3c1OCO3)CCO2 ZINC000012159724 1399031094 /nfs/dbraw/zinc/03/10/94/1399031094.db2.gz YATHZLFQVJDPCH-QFIPXVFZSA-N 1 2 390.439 3.287 50 0 GGAALO C[N@H+](Cc1cc(C(=O)NCc2ccc3nsnc3c2)no1)Cc1ccccc1 ZINC000014955871 1399128880 /nfs/dbraw/zinc/12/88/80/1399128880.db2.gz VIDLVDPJPMQMTN-UHFFFAOYSA-N 1 2 393.472 3.241 50 0 GGAALO C[N@@H+](Cc1cc(C(=O)NCc2ccc3nsnc3c2)no1)Cc1ccccc1 ZINC000014955871 1399128882 /nfs/dbraw/zinc/12/88/82/1399128882.db2.gz VIDLVDPJPMQMTN-UHFFFAOYSA-N 1 2 393.472 3.241 50 0 GGAALO Cc1ccc(CN(C)C(=O)C2([N@H+]3C[C@@H](C)O[C@@H](C)C3)Cc3ccccc3C2)o1 ZINC000014978440 1399129484 /nfs/dbraw/zinc/12/94/84/1399129484.db2.gz LUNGZFGPIZCUKK-HDICACEKSA-N 1 2 382.504 3.193 50 0 GGAALO Cc1ccc(CN(C)C(=O)C2([N@@H+]3C[C@@H](C)O[C@@H](C)C3)Cc3ccccc3C2)o1 ZINC000014978440 1399129489 /nfs/dbraw/zinc/12/94/89/1399129489.db2.gz LUNGZFGPIZCUKK-HDICACEKSA-N 1 2 382.504 3.193 50 0 GGAALO O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000019706450 1399335554 /nfs/dbraw/zinc/33/55/54/1399335554.db2.gz CRLJHTVOVQXTPL-UHFFFAOYSA-N 1 2 384.867 3.274 50 0 GGAALO CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1NCC[NH+]1CCOCC1 ZINC000019912165 1399339523 /nfs/dbraw/zinc/33/95/23/1399339523.db2.gz JHPRJSYWCQJWEK-UHFFFAOYSA-N 1 2 397.397 3.174 50 0 GGAALO COc1cccc(OC)c1C(=O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000020111666 1399343231 /nfs/dbraw/zinc/34/32/31/1399343231.db2.gz BVPOUZYMAXTGAC-CQSZACIVSA-N 1 2 399.443 3.243 50 0 biogenic GGAALO COc1cccc(OC)c1C(=O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000020111666 1399343238 /nfs/dbraw/zinc/34/32/38/1399343238.db2.gz BVPOUZYMAXTGAC-CQSZACIVSA-N 1 2 399.443 3.243 50 0 biogenic GGAALO O=C(NC1CCCC1)c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000020541479 1399348517 /nfs/dbraw/zinc/34/85/17/1399348517.db2.gz CBAULHBLHGMHSH-RMKNXTFCSA-N 1 2 394.519 3.178 50 0 GGAALO COc1c2c(cc3c1[C@H](c1nncn1-c1ccc(C)c(C)c1)[N@H+](C)CC3)OCO2 ZINC000020609775 1399350203 /nfs/dbraw/zinc/35/02/03/1399350203.db2.gz SHPVQSVEQPYVOK-LJQANCHMSA-N 1 2 392.459 3.199 50 0 biogenic GGAALO COc1c2c(cc3c1[C@H](c1nncn1-c1ccc(C)c(C)c1)[N@@H+](C)CC3)OCO2 ZINC000020609775 1399350207 /nfs/dbraw/zinc/35/02/07/1399350207.db2.gz SHPVQSVEQPYVOK-LJQANCHMSA-N 1 2 392.459 3.199 50 0 biogenic GGAALO O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCCn1cc[nH+]c1 ZINC000020920178 1399357367 /nfs/dbraw/zinc/35/73/67/1399357367.db2.gz IXJLYJHEJLPPOC-UHFFFAOYSA-N 1 2 399.882 3.139 50 0 GGAALO CCOc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(C)CC2)cc1 ZINC000022459983 1399465692 /nfs/dbraw/zinc/46/56/92/1399465692.db2.gz DONPBWVNCQGRQV-UZLBHIALSA-N 1 2 387.549 3.254 50 0 GGAALO CC[C@H](C)n1[nH]c(C)c2nc(-c3ccccc3OCC[NH+]3CCOCC3)nc1-2 ZINC000023311855 1399549086 /nfs/dbraw/zinc/54/90/86/1399549086.db2.gz WRFUOFVOHNWBPQ-HNNXBMFYSA-N 1 2 383.496 3.417 50 0 GGAALO Cc1csc(COc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)n1 ZINC000056907711 1407472979 /nfs/dbraw/zinc/47/29/79/1407472979.db2.gz PRRKREJUSODKRQ-UHFFFAOYSA-N 1 2 394.500 3.388 50 0 GGAALO CSc1nnc(C[N@H+](C)Cc2cccc3ncccc23)n1C[C@@H]1CCCO1 ZINC000064058360 1408476860 /nfs/dbraw/zinc/47/68/60/1408476860.db2.gz MZAQYNQBMZPNAZ-INIZCTEOSA-N 1 2 383.521 3.359 50 0 GGAALO CSc1nnc(C[N@@H+](C)Cc2cccc3ncccc23)n1C[C@@H]1CCCO1 ZINC000064058360 1408476874 /nfs/dbraw/zinc/47/68/74/1408476874.db2.gz MZAQYNQBMZPNAZ-INIZCTEOSA-N 1 2 383.521 3.359 50 0 GGAALO COc1ccccc1CC(=O)NC1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000225739412 1433367901 /nfs/dbraw/zinc/36/79/01/1433367901.db2.gz XYTVWDIOZBCYBB-UHFFFAOYSA-N 1 2 394.519 3.000 50 0 GGAALO CC1(C)C=C(C[NH+]2CCN(c3ccccc3)CC2)c2cccc3c2N1C(=O)C3=O ZINC000253495772 1433868198 /nfs/dbraw/zinc/86/81/98/1433868198.db2.gz QRQBBIAGYHJYEC-UHFFFAOYSA-N 1 2 387.483 3.214 50 0 GGAALO Cc1cnccc1-c1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000426376575 231209911 /nfs/dbraw/zinc/20/99/11/231209911.db2.gz VEGAGMSJICZTFC-NRFANRHFSA-N 1 2 379.504 3.384 50 0 GGAALO Cc1nnc(-c2ccc(C)c(NC(=O)N3CCC[C@H](Cn4cc[nH+]c4)C3)c2)o1 ZINC000426381445 231210514 /nfs/dbraw/zinc/21/05/14/231210514.db2.gz LWAWENGYXBOHNS-MRXNPFEDSA-N 1 2 380.452 3.494 50 0 GGAALO Cc1nnc(-c2ccc(C)c(NC(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)c2)o1 ZINC000426381444 231211222 /nfs/dbraw/zinc/21/12/22/231211222.db2.gz LWAWENGYXBOHNS-INIZCTEOSA-N 1 2 380.452 3.494 50 0 GGAALO Cc1ccc(-c2ccc(C(=O)N3CC[C@H]([NH+]4CCN(C)CC4)C3)cc2)cc1F ZINC000426388170 231212275 /nfs/dbraw/zinc/21/22/75/231212275.db2.gz OLQQOCVSRLXUNO-NRFANRHFSA-N 1 2 381.495 3.263 50 0 GGAALO O=C(NCc1cc(-c2ccccn2)no1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000426493048 231229057 /nfs/dbraw/zinc/22/90/57/231229057.db2.gz BMIAXRVGWKZZSC-MRXNPFEDSA-N 1 2 380.452 3.088 50 0 GGAALO Cn1cc[nH+]c1-c1ccc(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)cc1 ZINC000426674182 231251740 /nfs/dbraw/zinc/25/17/40/231251740.db2.gz KCQQSHSCRAZDED-HXUWFJFHSA-N 1 2 376.460 3.068 50 0 GGAALO O=C(NCc1cc2n(n1)CC[N@H+](Cc1cccc3cc[nH]c31)C2)C1CCCC1 ZINC000426690577 231252707 /nfs/dbraw/zinc/25/27/07/231252707.db2.gz MIVBEIUAIDGQIO-UHFFFAOYSA-N 1 2 377.492 3.187 50 0 GGAALO O=C(NCc1cc2n(n1)CC[N@@H+](Cc1cccc3cc[nH]c31)C2)C1CCCC1 ZINC000426690577 231252711 /nfs/dbraw/zinc/25/27/11/231252711.db2.gz MIVBEIUAIDGQIO-UHFFFAOYSA-N 1 2 377.492 3.187 50 0 GGAALO CO[C@H](C)CCNC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426689882 231253307 /nfs/dbraw/zinc/25/33/07/231253307.db2.gz PKZZUGFDLSGKKW-GFCCVEGCSA-N 1 2 377.510 3.066 50 0 GGAALO CO[C@H](C)CCNC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426689882 231253311 /nfs/dbraw/zinc/25/33/11/231253311.db2.gz PKZZUGFDLSGKKW-GFCCVEGCSA-N 1 2 377.510 3.066 50 0 GGAALO Cc1cc(CN(C)C(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)[nH]n1 ZINC000426730401 231256753 /nfs/dbraw/zinc/25/67/53/231256753.db2.gz KQUFUFJILQOHTJ-UHFFFAOYSA-N 1 2 399.520 3.215 50 0 GGAALO Cc1cc(CN(C)C(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)[nH]n1 ZINC000426730401 231256757 /nfs/dbraw/zinc/25/67/57/231256757.db2.gz KQUFUFJILQOHTJ-UHFFFAOYSA-N 1 2 399.520 3.215 50 0 GGAALO Cc1cc(CN(C)C(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)n[nH]1 ZINC000426730401 231256760 /nfs/dbraw/zinc/25/67/60/231256760.db2.gz KQUFUFJILQOHTJ-UHFFFAOYSA-N 1 2 399.520 3.215 50 0 GGAALO Cc1cc(CN(C)C(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)n[nH]1 ZINC000426730401 231256762 /nfs/dbraw/zinc/25/67/62/231256762.db2.gz KQUFUFJILQOHTJ-UHFFFAOYSA-N 1 2 399.520 3.215 50 0 GGAALO CC[C@@H](COC)NC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426519195 529519718 /nfs/dbraw/zinc/51/97/18/529519718.db2.gz GGEGZBMCHKFZDL-AWEZNQCLSA-N 1 2 377.510 3.066 50 0 GGAALO CC[C@@H](COC)NC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426519195 529519720 /nfs/dbraw/zinc/51/97/20/529519720.db2.gz GGEGZBMCHKFZDL-AWEZNQCLSA-N 1 2 377.510 3.066 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CC[C@H](OC)C4)csc3C2)nc1 ZINC000426376378 529643647 /nfs/dbraw/zinc/64/36/47/529643647.db2.gz NDWSZIXSJVBCRQ-KRWDZBQOSA-N 1 2 385.533 3.125 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CC[C@H](OC)C4)csc3C2)nc1 ZINC000426376378 529643648 /nfs/dbraw/zinc/64/36/48/529643648.db2.gz NDWSZIXSJVBCRQ-KRWDZBQOSA-N 1 2 385.533 3.125 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCCOC(C)C)csc3C2)nc1 ZINC000426526273 529644202 /nfs/dbraw/zinc/64/42/02/529644202.db2.gz OJJYVMWJGCVQGB-UHFFFAOYSA-N 1 2 387.549 3.419 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCCOC(C)C)csc3C2)nc1 ZINC000426526273 529644204 /nfs/dbraw/zinc/64/42/04/529644204.db2.gz OJJYVMWJGCVQGB-UHFFFAOYSA-N 1 2 387.549 3.419 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N[C@@H](C)C(C)(C)O)csc3C2)nc1 ZINC000426740557 529644290 /nfs/dbraw/zinc/64/42/90/529644290.db2.gz OTDKMFWNRDSLOB-AWEZNQCLSA-N 1 2 387.549 3.153 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N[C@@H](C)C(C)(C)O)csc3C2)nc1 ZINC000426740557 529644292 /nfs/dbraw/zinc/64/42/92/529644292.db2.gz OTDKMFWNRDSLOB-AWEZNQCLSA-N 1 2 387.549 3.153 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC[C@H]4CCCO4)csc3C2)nc1 ZINC000426533965 529644971 /nfs/dbraw/zinc/64/49/71/529644971.db2.gz ZNYYGCVENQTZPM-QGZVFWFLSA-N 1 2 385.533 3.173 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NC[C@H]4CCCO4)csc3C2)nc1 ZINC000426533965 529644973 /nfs/dbraw/zinc/64/49/73/529644973.db2.gz ZNYYGCVENQTZPM-QGZVFWFLSA-N 1 2 385.533 3.173 50 0 GGAALO CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(=O)c2ccccc2)[N@H+]2CCC[C@@H]32)cc1 ZINC000245324886 529662496 /nfs/dbraw/zinc/66/24/96/529662496.db2.gz BRHTWTJGFOAPDG-XSDIEEQYSA-N 1 2 388.467 3.084 50 0 GGAALO CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(=O)c2ccccc2)[N@@H+]2CCC[C@@H]32)cc1 ZINC000245324886 529662498 /nfs/dbraw/zinc/66/24/98/529662498.db2.gz BRHTWTJGFOAPDG-XSDIEEQYSA-N 1 2 388.467 3.084 50 0 GGAALO CCOc1ccccc1C[NH2+][C@H]1CNC(=O)c2cc(-c3ccc(F)cc3)nn21 ZINC000263616750 203820720 /nfs/dbraw/zinc/82/07/20/203820720.db2.gz KIQIGPUSGYZHPS-HXUWFJFHSA-N 1 2 380.423 3.120 50 0 GGAALO O=C1CS[C@]2(c3ccccc3N(C[NH+]3CCCC3)C2=O)N1c1ccc(F)cc1 ZINC000003634740 204016315 /nfs/dbraw/zinc/01/63/15/204016315.db2.gz ZTCOLBGUUGHERN-NRFANRHFSA-N 1 2 397.475 3.158 50 0 GGAALO O=C1CS[C@@]2(c3ccccc3N(C[NH+]3CCCC3)C2=O)N1c1ccc(F)cc1 ZINC000003634738 204017216 /nfs/dbraw/zinc/01/72/16/204017216.db2.gz ZTCOLBGUUGHERN-OAQYLSRUSA-N 1 2 397.475 3.158 50 0 GGAALO Cc1ccc(NC(=O)C[C@H](C)CC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000004739934 204072604 /nfs/dbraw/zinc/07/26/04/204072604.db2.gz AWXUFRDTNZOQAT-SFHVURJKSA-N 1 2 380.492 3.094 50 0 GGAALO COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000004457189 204045773 /nfs/dbraw/zinc/04/57/73/204045773.db2.gz DUCYSHDAVGFMEL-VLURKWGBSA-N 1 2 399.472 3.141 50 0 GGAALO CCCCN(C)C(=O)C1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000004552797 204052619 /nfs/dbraw/zinc/05/26/19/204052619.db2.gz GUJBUOQNXFKORB-UHFFFAOYSA-N 1 2 378.513 3.183 50 0 GGAALO COc1cc2c(cc1OC)[C@H](C)[N@H+](CC(=O)Nc1ccc(N(C)C)cc1)CC2 ZINC000005354232 204128296 /nfs/dbraw/zinc/12/82/96/204128296.db2.gz YLKBTPYZQSCEKX-HNNXBMFYSA-N 1 2 383.492 3.328 50 0 biogenic GGAALO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC(=O)Nc1ccc(N(C)C)cc1)CC2 ZINC000005354232 204128300 /nfs/dbraw/zinc/12/83/00/204128300.db2.gz YLKBTPYZQSCEKX-HNNXBMFYSA-N 1 2 383.492 3.328 50 0 biogenic GGAALO Cc1cc(N2N=C(c3cccc4ccccc43)C[C@]2(O)C(F)(F)F)nc(N)[nH+]1 ZINC000004942632 204095211 /nfs/dbraw/zinc/09/52/11/204095211.db2.gz BCBWBFKKFQQIQV-SFHVURJKSA-N 1 2 387.365 3.386 50 0 GGAALO CC[NH+]1CCN(c2nc(C)c3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)CC1 ZINC000004983453 204099566 /nfs/dbraw/zinc/09/95/66/204099566.db2.gz WHWFHWCPGCJQIU-YXBWYFRISA-N 1 2 376.504 3.385 50 0 GGAALO COC(=O)c1c2c(sc1NC(=S)NCCCn1cc[nH+]c1)C[C@H](C)CC2 ZINC000005988210 204160628 /nfs/dbraw/zinc/16/06/28/204160628.db2.gz MVUYVSOPAOCKLW-GFCCVEGCSA-N 1 2 392.550 3.233 50 0 GGAALO Cc1ccc2[nH+]c(-c3cccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c3)cn2c1 ZINC000006184441 204169617 /nfs/dbraw/zinc/16/96/17/204169617.db2.gz OAFASUYWAQNZNX-HOTGVXAUSA-N 1 2 385.489 3.108 50 0 GGAALO O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1cc(Cl)c(Cl)cc1Cl ZINC000006742526 204198165 /nfs/dbraw/zinc/19/81/65/204198165.db2.gz DHBICGSIKGULBP-UHFFFAOYSA-N 1 2 379.671 3.424 50 0 GGAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000007344424 204240238 /nfs/dbraw/zinc/24/02/38/204240238.db2.gz WCMNWDULZIUMNC-UHFFFAOYSA-N 1 2 384.867 3.473 50 0 GGAALO Cc1cc(C)n(-c2cc(NCCNC(=O)Nc3cccc(C)c3C)[nH+]cn2)n1 ZINC000035597349 204269535 /nfs/dbraw/zinc/26/95/35/204269535.db2.gz WLAOGLVLSMNTEH-UHFFFAOYSA-N 1 2 379.468 3.130 50 0 GGAALO COc1ccc(S(=O)(=O)N2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)cc1 ZINC000009303803 204305308 /nfs/dbraw/zinc/30/53/08/204305308.db2.gz RDJDEKOTJYSQSV-UHFFFAOYSA-N 1 2 397.500 3.063 50 0 GGAALO CCc1ccc(S(=O)(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)s1 ZINC000036700282 204324279 /nfs/dbraw/zinc/32/42/79/204324279.db2.gz NSTHJAQKORNNSL-SFHVURJKSA-N 1 2 394.562 3.052 50 0 GGAALO CCc1ccc(S(=O)(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)s1 ZINC000036700282 204324284 /nfs/dbraw/zinc/32/42/84/204324284.db2.gz NSTHJAQKORNNSL-SFHVURJKSA-N 1 2 394.562 3.052 50 0 GGAALO Cc1cc(C)n(-c2cc(NCCNC(=O)Nc3ccc(C)cc3Cl)[nH+]cn2)n1 ZINC000036705498 204325060 /nfs/dbraw/zinc/32/50/60/204325060.db2.gz QFYJQXQQFCIVNS-UHFFFAOYSA-N 1 2 399.886 3.475 50 0 GGAALO O=S(=O)(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000036700226 204325223 /nfs/dbraw/zinc/32/52/23/204325223.db2.gz UPKJFEHGQBSZOG-LJQANCHMSA-N 1 2 394.924 3.082 50 0 GGAALO O=S(=O)(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000036700226 204325225 /nfs/dbraw/zinc/32/52/25/204325225.db2.gz UPKJFEHGQBSZOG-LJQANCHMSA-N 1 2 394.924 3.082 50 0 GGAALO Cc1nc2ccccc2n1CC1CC[NH+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000036708917 204326637 /nfs/dbraw/zinc/32/66/37/204326637.db2.gz NPHKTPCKIVMUAD-UHFFFAOYSA-N 1 2 387.487 3.493 50 0 GGAALO CC(C)Oc1cccc(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)c1 ZINC000010471314 204336237 /nfs/dbraw/zinc/33/62/37/204336237.db2.gz HMXQRPTZQLPKFI-UHFFFAOYSA-N 1 2 381.476 3.114 50 0 GGAALO Cc1ccc2[nH+]c(CNC(=O)c3cn(Cc4ccc(F)cc4Cl)nn3)cn2c1 ZINC000011661079 204348250 /nfs/dbraw/zinc/34/82/50/204348250.db2.gz HAGREGHCTZFVQR-UHFFFAOYSA-N 1 2 398.829 3.005 50 0 GGAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N2CCc3sccc3C2)[nH]n1 ZINC000011664394 204349916 /nfs/dbraw/zinc/34/99/16/204349916.db2.gz SXMKNMDRBYRZIS-UHFFFAOYSA-N 1 2 377.473 3.376 50 0 GGAALO Cc1nc(CN(C)C(=O)c2cc(Cn3c(C)[nH+]c4ccccc43)on2)cs1 ZINC000011753739 204353140 /nfs/dbraw/zinc/35/31/40/204353140.db2.gz FEVNQRNEXJBFFA-UHFFFAOYSA-N 1 2 381.461 3.418 50 0 GGAALO 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GGAALO CC(C)Cc1[nH]c2ccc(NC(=O)[C@H]3CCCN(c4ncccn4)C3)cc2[nH+]1 ZINC000079492799 136173162 /nfs/dbraw/zinc/17/31/62/136173162.db2.gz RPKKWMPZUMHQEN-HNNXBMFYSA-N 1 2 378.480 3.407 50 0 GGAALO CC(C)Cn1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc2c1=O ZINC000079484136 136173186 /nfs/dbraw/zinc/17/31/86/136173186.db2.gz ZNUMQPCFIHHSOG-UHFFFAOYSA-N 1 2 390.487 3.015 50 0 GGAALO Cc1cc(=O)c(O)c(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1C ZINC000079484074 136173199 /nfs/dbraw/zinc/17/31/99/136173199.db2.gz UXLTXGHIEFHGOK-UHFFFAOYSA-N 1 2 382.291 3.028 50 0 GGAALO Cc1nc(N2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)c(C)c(C)[nH+]1 ZINC000091410130 136176369 /nfs/dbraw/zinc/17/63/69/136176369.db2.gz WRMFCBZTWIDRKV-UHFFFAOYSA-N 1 2 379.508 3.206 50 0 GGAALO COC(=O)C[C@@H]1Oc2ccccc2N(Cc2c[nH+]cn2C2CCCCC2)C1=O ZINC000095384288 136178784 /nfs/dbraw/zinc/17/87/84/136178784.db2.gz MJSKFSFRNXRFCR-IBGZPJMESA-N 1 2 383.448 3.246 50 0 GGAALO Cc1ccc(C(=O)[O-])c(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)[nH+]1 ZINC000095498634 136179768 /nfs/dbraw/zinc/17/97/68/136179768.db2.gz PJZJEGKKNGUWHS-UHFFFAOYSA-N 1 2 377.448 3.112 50 0 GGAALO Cc1cc(N2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)nc[nH+]1 ZINC000095503899 136180214 /nfs/dbraw/zinc/18/02/14/136180214.db2.gz SNJWQNUZNAQDLH-UHFFFAOYSA-N 1 2 380.492 3.459 50 0 GGAALO Cc1ccc(C(=O)[O-])c(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)[nH+]1 ZINC000095509333 136180293 /nfs/dbraw/zinc/18/02/93/136180293.db2.gz BNYCBKXMOBTYAN-INIZCTEOSA-N 1 2 377.448 3.112 50 0 GGAALO O=C(C[N@@H+]1CCc2cc3c(cc2C1)OCCCO3)N1CCCc2ccccc21 ZINC000004089819 136193635 /nfs/dbraw/zinc/19/36/35/136193635.db2.gz YEUQTLOZKNBXON-UHFFFAOYSA-N 1 2 378.472 3.185 50 0 biogenic GGAALO O=C(C[N@H+]1CCc2cc3c(cc2C1)OCCCO3)N1CCCc2ccccc21 ZINC000004089819 136193636 /nfs/dbraw/zinc/19/36/36/136193636.db2.gz YEUQTLOZKNBXON-UHFFFAOYSA-N 1 2 378.472 3.185 50 0 biogenic GGAALO CC(=O)c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020419563 136202600 /nfs/dbraw/zinc/20/26/00/136202600.db2.gz VEBAKINXPMUHOF-IBGZPJMESA-N 1 2 388.895 3.105 50 0 GGAALO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067286525 222143247 /nfs/dbraw/zinc/14/32/47/222143247.db2.gz PDTJSKHTWIPDTB-FQEVSTJZSA-N 1 2 385.508 3.152 50 0 GGAALO O=C(c1cnc(C[NH+]2CCCC2)s1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000067884782 222165243 /nfs/dbraw/zinc/16/52/43/222165243.db2.gz FJEUPSGTEHFWSH-INIZCTEOSA-N 1 2 375.469 3.092 50 0 GGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)C[C@@H]3CCOC3)csc2C1 ZINC000426503897 534358150 /nfs/dbraw/zinc/35/81/50/534358150.db2.gz BBKIEYNQGQCJTC-HNNXBMFYSA-N 1 2 389.521 3.020 50 0 GGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)C[C@@H]3CCOC3)csc2C1 ZINC000426503897 534358158 /nfs/dbraw/zinc/35/81/58/534358158.db2.gz BBKIEYNQGQCJTC-HNNXBMFYSA-N 1 2 389.521 3.020 50 0 GGAALO Cc1noc(C)c1CN1CCc2c(C(=O)NC[C@@H](C)n3cc[nH+]c3)csc2C1 ZINC000426379711 534360018 /nfs/dbraw/zinc/36/00/18/534360018.db2.gz LGIBDYCPRKHYKH-CYBMUJFWSA-N 1 2 399.520 3.099 50 0 GGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCCc3ccccn3)csc2C1 ZINC000426489925 534360232 /nfs/dbraw/zinc/36/02/32/534360232.db2.gz PIJVRPQHSCSBQX-UHFFFAOYSA-N 1 2 396.516 3.279 50 0 GGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCCc3ccccn3)csc2C1 ZINC000426489925 534360243 /nfs/dbraw/zinc/36/02/43/534360243.db2.gz PIJVRPQHSCSBQX-UHFFFAOYSA-N 1 2 396.516 3.279 50 0 GGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N(C)Cc3ccon3)csc2C1 ZINC000426727532 534356990 /nfs/dbraw/zinc/35/69/90/534356990.db2.gz SGRKCBCGUXUEPM-UHFFFAOYSA-N 1 2 386.477 3.171 50 0 GGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N(C)Cc3ccon3)csc2C1 ZINC000426727532 534356996 /nfs/dbraw/zinc/35/69/96/534356996.db2.gz SGRKCBCGUXUEPM-UHFFFAOYSA-N 1 2 386.477 3.171 50 0 GGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NC[C@@H]3CCCOC3)csc2C1 ZINC000426493001 534361957 /nfs/dbraw/zinc/36/19/57/534361957.db2.gz RSYDQDKLNKNEQJ-HNNXBMFYSA-N 1 2 389.521 3.068 50 0 GGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NC[C@@H]3CCCOC3)csc2C1 ZINC000426493001 534361963 /nfs/dbraw/zinc/36/19/63/534361963.db2.gz RSYDQDKLNKNEQJ-HNNXBMFYSA-N 1 2 389.521 3.068 50 0 GGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCC3CCOCC3)csc2C1 ZINC000426530547 534362148 /nfs/dbraw/zinc/36/21/48/534362148.db2.gz SRJWQFGSSLCHFC-UHFFFAOYSA-N 1 2 389.521 3.068 50 0 GGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCC3CCOCC3)csc2C1 ZINC000426530547 534362156 /nfs/dbraw/zinc/36/21/56/534362156.db2.gz SRJWQFGSSLCHFC-UHFFFAOYSA-N 1 2 389.521 3.068 50 0 GGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@@H](C)c3cnn(C)c3)csc2C1 ZINC000426589709 534363748 /nfs/dbraw/zinc/36/37/48/534363748.db2.gz CWQZYDVPAWASIU-LBPRGKRZSA-N 1 2 399.520 3.136 50 0 GGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@@H](C)c3cnn(C)c3)csc2C1 ZINC000426589709 534363754 /nfs/dbraw/zinc/36/37/54/534363754.db2.gz CWQZYDVPAWASIU-LBPRGKRZSA-N 1 2 399.520 3.136 50 0 GGAALO Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@H](C)c3cnn(C)c3)csc2C1 ZINC000426589708 534365624 /nfs/dbraw/zinc/36/56/24/534365624.db2.gz CWQZYDVPAWASIU-GFCCVEGCSA-N 1 2 399.520 3.136 50 0 GGAALO Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@H](C)c3cnn(C)c3)csc2C1 ZINC000426589708 534365630 /nfs/dbraw/zinc/36/56/30/534365630.db2.gz CWQZYDVPAWASIU-GFCCVEGCSA-N 1 2 399.520 3.136 50 0 GGAALO Cc1nc(NCCc2nc(-c3ccc(Cl)cc3)no2)cc([C@H]2CCOC2)[nH+]1 ZINC000426667478 534613701 /nfs/dbraw/zinc/61/37/01/534613701.db2.gz MYZUBACQLNNNGZ-AWEZNQCLSA-N 1 2 385.855 3.069 50 0 GGAALO CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000077515903 523506297 /nfs/dbraw/zinc/50/62/97/523506297.db2.gz AMUBKBNWEMZACW-UHFFFAOYSA-N 1 2 375.407 3.469 50 0 GGAALO CCCN(Cc1cccnc1)C(=O)c1ccc(-c2nc(NC)cc(C)[nH+]2)cc1 ZINC000426548517 528148919 /nfs/dbraw/zinc/14/89/19/528148919.db2.gz MGXQFEFZZCEIKH-UHFFFAOYSA-N 1 2 375.476 3.363 50 0 GGAALO CC(C)Cc1nc(CN(C)C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)no1 ZINC000426490051 528668056 /nfs/dbraw/zinc/66/80/56/528668056.db2.gz CITCVXLRBATOLT-QGZVFWFLSA-N 1 2 382.468 3.048 50 0 GGAALO CCCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)NCc1cnc2cnccn12 ZINC000426489981 528758160 /nfs/dbraw/zinc/75/81/60/528758160.db2.gz FYNYBWNSTXFVJJ-QGZVFWFLSA-N 1 2 376.464 3.299 50 0 GGAALO CCSCCNC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426698458 529180227 /nfs/dbraw/zinc/18/02/27/529180227.db2.gz PUNOVHLFWXUVKB-UHFFFAOYSA-N 1 2 379.551 3.394 50 0 GGAALO CCSCCNC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426698458 529180229 /nfs/dbraw/zinc/18/02/29/529180229.db2.gz PUNOVHLFWXUVKB-UHFFFAOYSA-N 1 2 379.551 3.394 50 0 GGAALO CC[C@H](C)[C@H](c1[nH]c2ccccc2[nH+]1)n1cc2c(=O)[nH]nc-2c(C(=O)OC)c1 ZINC000409415507 529266463 /nfs/dbraw/zinc/26/64/63/529266463.db2.gz MRYHUCLOERIKIE-APPDUMDISA-N 1 2 379.420 3.387 50 0 GGAALO CCCc1c[nH+]c(C)nc1N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 ZINC000091746291 535436306 /nfs/dbraw/zinc/43/63/06/535436306.db2.gz OVRNEHGQQGZQBC-IBGZPJMESA-N 1 2 386.540 3.126 50 0 GGAALO O=C(Cn1c2ccccc2[nH+]c1NCCCO)c1cccc(Br)c1 ZINC000001769859 564186426 /nfs/dbraw/zinc/18/64/26/564186426.db2.gz QYOXNKCCYAZLHH-UHFFFAOYSA-N 1 2 388.265 3.476 50 0 GGAALO O=C(Nc1ccc(Br)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000013324915 564275601 /nfs/dbraw/zinc/27/56/01/564275601.db2.gz BCDUJQGJKZRSJE-UHFFFAOYSA-N 1 2 375.270 3.194 50 0 GGAALO COc1ccc(Br)cc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000019364145 564303128 /nfs/dbraw/zinc/30/31/28/564303128.db2.gz OVUYXSJSZTUWRI-UHFFFAOYSA-N 1 2 376.298 3.171 50 0 GGAALO O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1CC[NH+]1CCOCC1 ZINC000021790249 564311827 /nfs/dbraw/zinc/31/18/27/564311827.db2.gz ZMZVFBCCVRPVRG-UHFFFAOYSA-N 1 2 375.881 3.111 50 0 GGAALO OCC[C@@H]1CN(Cc2nc3c(s2)CCCC3)CC[N@@H+]1Cc1ccsc1 ZINC000022932514 564321436 /nfs/dbraw/zinc/32/14/36/564321436.db2.gz FSVYXNRYMYGHTA-MRXNPFEDSA-N 1 2 377.579 3.152 50 0 GGAALO OCC[C@@H]1CN(Cc2nc3c(s2)CCCC3)CC[N@H+]1Cc1ccsc1 ZINC000022932514 564321437 /nfs/dbraw/zinc/32/14/37/564321437.db2.gz FSVYXNRYMYGHTA-MRXNPFEDSA-N 1 2 377.579 3.152 50 0 GGAALO O=c1cc(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc2sccn21 ZINC000051530815 564564772 /nfs/dbraw/zinc/56/47/72/564564772.db2.gz YSCZBLAZAXZPGY-UHFFFAOYSA-N 1 2 395.315 3.385 50 0 GGAALO O=C(Cc1cccc(Cl)c1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000095377106 564899204 /nfs/dbraw/zinc/89/92/04/564899204.db2.gz OORVGGAZSGHNNY-MAUKXSAKSA-N 1 2 375.925 3.462 50 0 GGAALO O=C(Cc1cccc(Cl)c1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cscn1)C2 ZINC000095377106 564899206 /nfs/dbraw/zinc/89/92/06/564899206.db2.gz OORVGGAZSGHNNY-MAUKXSAKSA-N 1 2 375.925 3.462 50 0 GGAALO O=C(CSCC1CC1)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095499300 564900239 /nfs/dbraw/zinc/90/02/39/564900239.db2.gz AOXVWFFWHCTTFL-OAHLLOKOSA-N 1 2 376.551 3.237 50 0 GGAALO COc1ccc(Cl)cc1CN(C)C(=O)NCCSCc1[nH]c[nH+]c1C ZINC000534589049 567815140 /nfs/dbraw/zinc/81/51/40/567815140.db2.gz GJTUXMLRLJBODS-UHFFFAOYSA-N 1 2 382.917 3.455 50 0 GGAALO Cc1nc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C2CC2)C3)no1 ZINC000096130587 570210778 /nfs/dbraw/zinc/21/07/78/570210778.db2.gz RQCBAOBAIIGYPE-IBGZPJMESA-N 1 2 380.492 3.139 50 0 GGAALO Cc1ccc(CN(C)c2ccc(C(=O)N3CCC[C@@H](Cn4cc[nH+]c4)C3)cn2)o1 ZINC000019741432 570212838 /nfs/dbraw/zinc/21/28/38/570212838.db2.gz PYBDNCGXSBJKLL-SFHVURJKSA-N 1 2 393.491 3.368 50 0 GGAALO CCc1nc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C2CC2)C3)no1 ZINC000096139866 570212865 /nfs/dbraw/zinc/21/28/65/570212865.db2.gz RBSNJQBBZSNYRW-LJQANCHMSA-N 1 2 394.519 3.393 50 0 GGAALO O=C(Nc1ccccc1)N1CCC2(CC1)c1ccccc1[C@@H](n1cc[nH+]c1)[C@@H]2O ZINC000019744017 570213254 /nfs/dbraw/zinc/21/32/54/570213254.db2.gz YDRAGDICHNWWKL-RTWAWAEBSA-N 1 2 388.471 3.413 50 0 GGAALO Cc1c2ccccc2[nH]c1CN1CC[N@H+](Cc2cccc(C)n2)[C@@H](CCO)C1 ZINC000019789372 570219107 /nfs/dbraw/zinc/21/91/07/570219107.db2.gz LEHLBDNKHAKNPY-FQEVSTJZSA-N 1 2 378.520 3.249 50 0 GGAALO Cc1c2ccccc2[nH]c1CN1CC[N@@H+](Cc2cccc(C)n2)[C@@H](CCO)C1 ZINC000019789372 570219110 /nfs/dbraw/zinc/21/91/10/570219110.db2.gz LEHLBDNKHAKNPY-FQEVSTJZSA-N 1 2 378.520 3.249 50 0 GGAALO c1ccc(Nc2nc(NCC[NH+]3CCOCC3)nc(Nc3ccccc3)n2)cc1 ZINC000019817785 570221979 /nfs/dbraw/zinc/22/19/79/570221979.db2.gz ZHTRWWCLHQXSRF-UHFFFAOYSA-N 1 2 391.479 3.103 50 0 GGAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000019831757 570223386 /nfs/dbraw/zinc/22/33/86/570223386.db2.gz YWKNBIIICASGMW-UHFFFAOYSA-N 1 2 399.922 3.135 50 0 GGAALO O=C(/C=C/c1cccc(Cl)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019832159 570223521 /nfs/dbraw/zinc/22/35/21/570223521.db2.gz MZZGFYVLFKTCEO-FNORWQNLSA-N 1 2 384.863 3.426 50 0 GGAALO COc1ccc(-n2ncc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)cc1 ZINC000019835088 570223812 /nfs/dbraw/zinc/22/38/12/570223812.db2.gz ZCPABISTLSIETG-UHFFFAOYSA-N 1 2 390.487 3.147 50 0 GGAALO O=S(=O)(c1ccc(F)cc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019842736 570225169 /nfs/dbraw/zinc/22/51/69/570225169.db2.gz DJDKXZJUZDACQG-UHFFFAOYSA-N 1 2 384.476 3.485 50 0 GGAALO Nc1ccc2nc(SCC(=O)N3CC[NH+](Cc4ccccc4)CC3)sc2c1 ZINC000019899305 570228285 /nfs/dbraw/zinc/22/82/85/570228285.db2.gz PAKMXBALRVZXCI-UHFFFAOYSA-N 1 2 398.557 3.315 50 0 GGAALO Fc1cc(F)cc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019899362 570228459 /nfs/dbraw/zinc/22/84/59/570228459.db2.gz ZQEAQEIQGVKTSZ-UHFFFAOYSA-N 1 2 391.443 3.208 50 0 GGAALO CCOC(=O)c1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)c(C(=O)OCC)c1C ZINC000000944626 570230785 /nfs/dbraw/zinc/23/07/85/570230785.db2.gz ZICPGLKFPSEBGU-LBPRGKRZSA-N 1 2 396.509 3.223 50 0 GGAALO CCOC(=O)c1sc(NC(=O)C[N@H+]2CCCC[C@@H]2C)c(C(=O)OCC)c1C ZINC000000944626 570230788 /nfs/dbraw/zinc/23/07/88/570230788.db2.gz ZICPGLKFPSEBGU-LBPRGKRZSA-N 1 2 396.509 3.223 50 0 GGAALO COc1ccc(-n2c3c(c(=O)[nH]c2=S)C[N@@H+](CCc2ccccc2)CN3)cc1 ZINC000019939431 570232354 /nfs/dbraw/zinc/23/23/54/570232354.db2.gz HSIBHTORJFUVNB-UHFFFAOYSA-N 1 2 394.500 3.331 50 0 GGAALO COc1ccc(-n2c3c(c(=O)[nH]c2=S)C[N@H+](CCc2ccccc2)CN3)cc1 ZINC000019939431 570232358 /nfs/dbraw/zinc/23/23/58/570232358.db2.gz HSIBHTORJFUVNB-UHFFFAOYSA-N 1 2 394.500 3.331 50 0 GGAALO O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019938185 570232486 /nfs/dbraw/zinc/23/24/86/570232486.db2.gz OIPDMQKOFCTITR-DHZHZOJOSA-N 1 2 381.501 3.045 50 0 GGAALO CSc1[nH]c2ccccc2c1C(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020031812 570236083 /nfs/dbraw/zinc/23/60/83/570236083.db2.gz DXDOXTXURSUEKZ-UHFFFAOYSA-N 1 2 393.512 3.417 50 0 GGAALO CCN(CCc1[nH]c2ccc(OC)cc2[nH+]1)C(=O)Cc1csc(C(C)=O)c1 ZINC000097323978 570241392 /nfs/dbraw/zinc/24/13/92/570241392.db2.gz FMEPCWRYXUYZLJ-UHFFFAOYSA-N 1 2 385.489 3.469 50 0 GGAALO COc1cc(C[N@@H+]2CCN(C/C=C/c3ccccc3)C[C@@H]2CCO)cc(OC)c1 ZINC000020149556 570244160 /nfs/dbraw/zinc/24/41/60/570244160.db2.gz DGBBJPQZXMXPMM-OUZREKFBSA-N 1 2 396.531 3.286 50 0 GGAALO COc1cc(C[N@H+]2CCN(C/C=C/c3ccccc3)C[C@@H]2CCO)cc(OC)c1 ZINC000020149556 570244163 /nfs/dbraw/zinc/24/41/63/570244163.db2.gz DGBBJPQZXMXPMM-OUZREKFBSA-N 1 2 396.531 3.286 50 0 GGAALO CCOc1ccc(NC(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000020176792 570246101 /nfs/dbraw/zinc/24/61/01/570246101.db2.gz QPDQWPAQFMKDRW-RMKNXTFCSA-N 1 2 379.504 3.355 50 0 GGAALO CCOc1ccccc1NC(=O)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020190210 570246618 /nfs/dbraw/zinc/24/66/18/570246618.db2.gz DUIQRJAFERTHFR-UHFFFAOYSA-N 1 2 387.911 3.495 50 0 GGAALO O=c1[nH]c(=S)n(-c2ccc(Cl)cc2)c(O)c1[C@H]1[NH2+]CCc2ccccc21 ZINC000020189472 570246718 /nfs/dbraw/zinc/24/67/18/570246718.db2.gz VOOBGKLFRHXDFY-INIZCTEOSA-N 1 2 385.876 3.489 50 0 GGAALO COc1cccc(-c2nc3ccccc3c(NCCC[NH+]3CCOCC3)n2)c1O ZINC000020289759 570251390 /nfs/dbraw/zinc/25/13/90/570251390.db2.gz JNFATFIDMBIPEX-UHFFFAOYSA-N 1 2 394.475 3.145 50 0 GGAALO COc1cccc(C[NH+]2CCN(C(=S)Nc3cccc(C(C)=O)c3)CC2)c1 ZINC000020311017 570252253 /nfs/dbraw/zinc/25/22/53/570252253.db2.gz MECALPWENKKSDR-UHFFFAOYSA-N 1 2 383.517 3.412 50 0 GGAALO Cc1ccc(C(=O)N2CC[NH+](Cc3cc(=O)oc4cc(C)ccc34)CC2)cc1 ZINC000020357438 570252936 /nfs/dbraw/zinc/25/29/36/570252936.db2.gz YECNEVUQVDSELX-UHFFFAOYSA-N 1 2 376.456 3.368 50 0 GGAALO Cc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(Cl)c1)CC[N@@H+](C)C3 ZINC000020391459 570253815 /nfs/dbraw/zinc/25/38/15/570253815.db2.gz FQYGYWWWWGPEHF-UHFFFAOYSA-N 1 2 385.880 3.045 50 0 GGAALO Cc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(Cl)c1)CC[N@H+](C)C3 ZINC000020391459 570253818 /nfs/dbraw/zinc/25/38/18/570253818.db2.gz FQYGYWWWWGPEHF-UHFFFAOYSA-N 1 2 385.880 3.045 50 0 GGAALO CCOC(=O)C1=C(C[NH+]2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000053287646 570253948 /nfs/dbraw/zinc/25/39/48/570253948.db2.gz UISKASFIXQBFMN-ZOCZFRKYSA-N 1 2 399.535 3.452 50 0 GGAALO COc1cccc(CN2CC[NH+](Cc3cc(=O)oc4cc(C)ccc34)CC2)c1 ZINC000020407895 570254608 /nfs/dbraw/zinc/25/46/08/570254608.db2.gz OLNDCEQENSBVDA-UHFFFAOYSA-N 1 2 378.472 3.428 50 0 biogenic GGAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000020444277 570255956 /nfs/dbraw/zinc/25/59/56/570255956.db2.gz GXCSIUNHINIJHW-IYWMVGAKSA-N 1 2 392.842 3.444 50 0 GGAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000020444277 570255958 /nfs/dbraw/zinc/25/59/58/570255958.db2.gz GXCSIUNHINIJHW-IYWMVGAKSA-N 1 2 392.842 3.444 50 0 GGAALO Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(N)n2)CC[N@@H+](C)C4)cc1 ZINC000020438310 570255975 /nfs/dbraw/zinc/25/59/75/570255975.db2.gz AKAIWJDGWAMCLB-UHFFFAOYSA-N 1 2 399.545 3.301 50 0 GGAALO Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(N)n2)CC[N@H+](C)C4)cc1 ZINC000020438310 570255977 /nfs/dbraw/zinc/25/59/77/570255977.db2.gz AKAIWJDGWAMCLB-UHFFFAOYSA-N 1 2 399.545 3.301 50 0 GGAALO O=C(c1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020436995 570256190 /nfs/dbraw/zinc/25/61/90/570256190.db2.gz IDHLDYGLSJUWRG-UHFFFAOYSA-N 1 2 392.377 3.392 50 0 GGAALO COc1ccc2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1ccc(C)c(C)c1)CC3 ZINC000048987788 570256260 /nfs/dbraw/zinc/25/62/60/570256260.db2.gz IFSXQOVAKUZPFH-UHFFFAOYSA-N 1 2 391.471 3.150 50 0 GGAALO COc1ccc2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)CC3 ZINC000048987788 570256264 /nfs/dbraw/zinc/25/62/64/570256264.db2.gz IFSXQOVAKUZPFH-UHFFFAOYSA-N 1 2 391.471 3.150 50 0 GGAALO Cc1cc2nc(C[N@@H+]3CCC[C@H](CCc4ccc(F)c(F)c4)C3)cc(=O)n2[nH]1 ZINC000102070227 570256658 /nfs/dbraw/zinc/25/66/58/570256658.db2.gz HBKOQPXOORCCJX-MRXNPFEDSA-N 1 2 386.446 3.454 50 0 GGAALO Cc1cc2nc(C[N@H+]3CCC[C@H](CCc4ccc(F)c(F)c4)C3)cc(=O)n2[nH]1 ZINC000102070227 570256659 /nfs/dbraw/zinc/25/66/59/570256659.db2.gz HBKOQPXOORCCJX-MRXNPFEDSA-N 1 2 386.446 3.454 50 0 GGAALO Cc1ccc2[nH]c3c(c(=O)c2c1)C[N@H+](CC(=O)Nc1ccc(C)c(F)c1)CC3 ZINC000048987851 570256728 /nfs/dbraw/zinc/25/67/28/570256728.db2.gz HSXXSZXTBFYUGT-UHFFFAOYSA-N 1 2 379.435 3.281 50 0 GGAALO Cc1ccc2[nH]c3c(c(=O)c2c1)C[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)CC3 ZINC000048987851 570256732 /nfs/dbraw/zinc/25/67/32/570256732.db2.gz HSXXSZXTBFYUGT-UHFFFAOYSA-N 1 2 379.435 3.281 50 0 GGAALO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3cc(C(C)C)[nH]n3)C2)CC1 ZINC000020450269 570256819 /nfs/dbraw/zinc/25/68/19/570256819.db2.gz RRLKGRFPJIGWSE-HXUWFJFHSA-N 1 2 397.567 3.328 50 0 GGAALO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cc(C(C)C)n[nH]3)C2)CC1 ZINC000020450269 570256822 /nfs/dbraw/zinc/25/68/22/570256822.db2.gz RRLKGRFPJIGWSE-HXUWFJFHSA-N 1 2 397.567 3.328 50 0 GGAALO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cc(C(C)C)n[nH]3)C2)CC1 ZINC000020450269 570256825 /nfs/dbraw/zinc/25/68/25/570256825.db2.gz RRLKGRFPJIGWSE-HXUWFJFHSA-N 1 2 397.567 3.328 50 0 GGAALO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000020450152 570256851 /nfs/dbraw/zinc/25/68/51/570256851.db2.gz LKYNJGYQTCFKFI-QGZVFWFLSA-N 1 2 387.871 3.069 50 0 GGAALO COc1ccc(C[N@H+]2CC(=O)N(Cc3ccccc3)C[C@@H](OCC3CC3)C2)cc1 ZINC000020453950 570258281 /nfs/dbraw/zinc/25/82/81/570258281.db2.gz PECJQHPJUCJAIH-QHCPKHFHSA-N 1 2 394.515 3.335 50 0 GGAALO COc1ccc(C[N@@H+]2CC(=O)N(Cc3ccccc3)C[C@@H](OCC3CC3)C2)cc1 ZINC000020453950 570258282 /nfs/dbraw/zinc/25/82/82/570258282.db2.gz PECJQHPJUCJAIH-QHCPKHFHSA-N 1 2 394.515 3.335 50 0 GGAALO COc1ccc(C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)c(OC)c1OC ZINC000001230622 570259270 /nfs/dbraw/zinc/25/92/70/570259270.db2.gz FQZZIEPWVZQRDU-UHFFFAOYSA-N 1 2 384.476 3.237 50 0 GGAALO COc1ccc(CN2CC[N@H+](Cc3ccccc3OC)C[C@H]2CCO)cc1C ZINC000104499296 570259460 /nfs/dbraw/zinc/25/94/60/570259460.db2.gz ZYYGVHIVVICNTF-OAQYLSRUSA-N 1 2 384.520 3.081 50 0 GGAALO COc1ccc(CN2CC[N@@H+](Cc3ccccc3OC)C[C@H]2CCO)cc1C ZINC000104499296 570259462 /nfs/dbraw/zinc/25/94/62/570259462.db2.gz ZYYGVHIVVICNTF-OAQYLSRUSA-N 1 2 384.520 3.081 50 0 GGAALO Cc1cccc(C[N@@H+]2CCN(Cc3nc4ccccc4s3)C[C@H]2CCO)n1 ZINC000104520766 570260002 /nfs/dbraw/zinc/26/00/02/570260002.db2.gz WDTXAHOTXCOCEP-GOSISDBHSA-N 1 2 382.533 3.069 50 0 GGAALO Cc1cccc(C[N@H+]2CCN(Cc3nc4ccccc4s3)C[C@H]2CCO)n1 ZINC000104520766 570260003 /nfs/dbraw/zinc/26/00/03/570260003.db2.gz WDTXAHOTXCOCEP-GOSISDBHSA-N 1 2 382.533 3.069 50 0 GGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(C(C)C)[nH]n2)C[C@H]1CCO ZINC000104633599 570260596 /nfs/dbraw/zinc/26/05/96/570260596.db2.gz BKYDPZPAYOPZOW-HXUWFJFHSA-N 1 2 386.540 3.001 50 0 GGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2cc(C(C)C)[nH]n2)C[C@H]1CCO ZINC000104633599 570260597 /nfs/dbraw/zinc/26/05/97/570260597.db2.gz BKYDPZPAYOPZOW-HXUWFJFHSA-N 1 2 386.540 3.001 50 0 GGAALO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000020479085 570261481 /nfs/dbraw/zinc/26/14/81/570261481.db2.gz LSGCURXUUXADFZ-MANSERQUSA-N 1 2 394.858 3.175 50 0 GGAALO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000020479085 570261484 /nfs/dbraw/zinc/26/14/84/570261484.db2.gz LSGCURXUUXADFZ-MANSERQUSA-N 1 2 394.858 3.175 50 0 GGAALO CC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nnc(-c4ccco4)o3)CC2)cc1 ZINC000049372027 570263184 /nfs/dbraw/zinc/26/31/84/570263184.db2.gz CNYWWFJIOLOFFB-UHFFFAOYSA-N 1 2 394.431 3.350 50 0 GGAALO Cc1csc(NC(=O)C[NH+]2CCC(c3nnc(-c4ccco4)s3)CC2)n1 ZINC000049363141 570263218 /nfs/dbraw/zinc/26/32/18/570263218.db2.gz QMKXEMBJXMAPQL-UHFFFAOYSA-N 1 2 389.506 3.381 50 0 GGAALO O=C(C[NH+]1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)Nc1nccs1 ZINC000049377735 570263393 /nfs/dbraw/zinc/26/33/93/570263393.db2.gz RCUAUPXWYNRYCY-UHFFFAOYSA-N 1 2 387.440 3.150 50 0 GGAALO O=C(NCC[NH+]1CCOCC1)c1cc(-c2ccncc2)nc2ccc(Cl)cc21 ZINC000020494012 570263823 /nfs/dbraw/zinc/26/38/23/570263823.db2.gz HJGAHTBQNYJBLY-UHFFFAOYSA-N 1 2 396.878 3.012 50 0 GGAALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)NCc1ccc(Cl)cc1 ZINC000020508712 570264489 /nfs/dbraw/zinc/26/44/89/570264489.db2.gz IPBLVALFFYHBMB-QPJJXVBHSA-N 1 2 383.923 3.287 50 0 GGAALO CCOC(=O)c1ccc(C[NH2+][C@@](C)(CC)c2nnnn2-c2c(C)cccc2C)o1 ZINC000020506785 570264711 /nfs/dbraw/zinc/26/47/11/570264711.db2.gz NJJZSPJMPUTPTO-NRFANRHFSA-N 1 2 397.479 3.464 50 0 GGAALO O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)c2cc(Cl)c(O)cc2o1 ZINC000020502001 570264741 /nfs/dbraw/zinc/26/47/41/570264741.db2.gz NBKDZZXAEPBHHG-UHFFFAOYSA-N 1 2 384.863 3.470 50 0 GGAALO CCCc1nc2oc3c(ncnc3NCC[NH+]3CCOCC3)c2c2c1CCCC2 ZINC000020518855 570264953 /nfs/dbraw/zinc/26/49/53/570264953.db2.gz MRGGURLYJWBBBJ-UHFFFAOYSA-N 1 2 395.507 3.346 50 0 GGAALO CCCn1c2nc(SCC[NH+]3CCOCC3)nnc2c2cc(C)cc(C)c21 ZINC000020512867 570265099 /nfs/dbraw/zinc/26/50/99/570265099.db2.gz MBLNLTBJOVSRJT-UHFFFAOYSA-N 1 2 385.537 3.431 50 0 GGAALO CC(C)CNc1nc2nnnn2c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000020533269 570265405 /nfs/dbraw/zinc/26/54/05/570265405.db2.gz OYWGHQFQHYDBAI-UHFFFAOYSA-N 1 2 393.520 3.360 50 0 GGAALO CC(C)CNc1nc2nnnn2c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000020533269 570265407 /nfs/dbraw/zinc/26/54/07/570265407.db2.gz OYWGHQFQHYDBAI-UHFFFAOYSA-N 1 2 393.520 3.360 50 0 GGAALO O=C(NCC[NH+]1CCOCC1)c1cc(-c2ccccn2)nc2c(Cl)cccc12 ZINC000020534492 570265770 /nfs/dbraw/zinc/26/57/70/570265770.db2.gz LXNMLSHIGNMBNZ-UHFFFAOYSA-N 1 2 396.878 3.012 50 0 GGAALO C[C@H](NC(=S)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000020551412 570267653 /nfs/dbraw/zinc/26/76/53/570267653.db2.gz SUAJHQBXFQIMFF-INIZCTEOSA-N 1 2 383.517 3.169 50 0 GGAALO Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(NCCC[NH+]3CCOCC3)nc2C1 ZINC000020555722 570267662 /nfs/dbraw/zinc/26/76/62/570267662.db2.gz PGTYQKPLXJNFSM-SFHVURJKSA-N 1 2 394.519 3.140 50 0 GGAALO c1ccc([C@@H]2NC3=[NH+]CN(C4CCCCC4)CN3c3nc4ccccc4n32)nc1 ZINC000020567797 570268337 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Cc1cccn2cc(-c3cccc(NC(=O)Cn4nc(C5CC5)ccc4=O)c3)[nH+]c12 ZINC000575619689 570368421 /nfs/dbraw/zinc/36/84/21/570368421.db2.gz KGZBGZGEVMBGAS-UHFFFAOYSA-N 1 2 399.454 3.383 50 0 GGAALO CCCc1cc(=O)n(CC(=O)Nc2ccccc2-c2cn3c([nH+]2)CCCC3)cn1 ZINC000575619969 570368663 /nfs/dbraw/zinc/36/86/63/570368663.db2.gz NQTBZFUPWNXGBA-UHFFFAOYSA-N 1 2 391.475 3.034 50 0 GGAALO CC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2cc3ccccc3o2)[NH+](C)C)cc1 ZINC000575622461 570369950 /nfs/dbraw/zinc/36/99/50/570369950.db2.gz YZDZXAMZFARITC-SFHVURJKSA-N 1 2 386.473 3.217 50 0 GGAALO CC(=O)c1ccc(S(=O)(=O)NC[C@H](c2cc3ccccc3o2)[NH+](C)C)cc1 ZINC000575622460 570370228 /nfs/dbraw/zinc/37/02/28/570370228.db2.gz YZDZXAMZFARITC-GOSISDBHSA-N 1 2 386.473 3.217 50 0 GGAALO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccc(C)s2)cc1 ZINC000220976731 570391077 /nfs/dbraw/zinc/39/10/77/570391077.db2.gz IJGXLVSMLWFULC-QGZVFWFLSA-N 1 2 381.461 3.237 50 0 GGAALO CCCn1ncc(C[N@@H+]2CCn3nc([C@@H](O)Cc4ccccc4)cc3C2)c1C ZINC000221284470 570392786 /nfs/dbraw/zinc/39/27/86/570392786.db2.gz IDLMVKGLBPHHGM-QFIPXVFZSA-N 1 2 379.508 3.090 50 0 GGAALO CCCn1ncc(C[N@H+]2CCn3nc([C@@H](O)Cc4ccccc4)cc3C2)c1C ZINC000221284470 570392787 /nfs/dbraw/zinc/39/27/87/570392787.db2.gz IDLMVKGLBPHHGM-QFIPXVFZSA-N 1 2 379.508 3.090 50 0 GGAALO C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc2c(c1)CCCC2 ZINC000051759337 570410211 /nfs/dbraw/zinc/41/02/11/570410211.db2.gz WWPHKUNMGCGTIP-GOSISDBHSA-N 1 2 398.595 3.484 50 0 GGAALO CC(C)=CCN1CC[N@H+](Cc2ccc(Oc3ncccn3)cc2)C[C@H]1CCO ZINC000036385771 570422530 /nfs/dbraw/zinc/42/25/30/570422530.db2.gz YEWYXNYYIGZOPK-HXUWFJFHSA-N 1 2 382.508 3.104 50 0 GGAALO CC(C)=CCN1CC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C[C@H]1CCO ZINC000036385771 570422531 /nfs/dbraw/zinc/42/25/31/570422531.db2.gz YEWYXNYYIGZOPK-HXUWFJFHSA-N 1 2 382.508 3.104 50 0 GGAALO c1nc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cnn(-c4ccccc4)c2)C3)cs1 ZINC000091635871 570425763 /nfs/dbraw/zinc/42/57/63/570425763.db2.gz NQHMSXRWFFFMGE-LAUBAEHRSA-N 1 2 379.533 3.425 50 0 GGAALO c1nc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2cnn(-c4ccccc4)c2)C3)cs1 ZINC000091635871 570425764 /nfs/dbraw/zinc/42/57/64/570425764.db2.gz NQHMSXRWFFFMGE-LAUBAEHRSA-N 1 2 379.533 3.425 50 0 GGAALO OCCNc1nc(N2CCN(c3ccccc3Cl)CC2)[nH+]c2ccccc21 ZINC000026702680 570428030 /nfs/dbraw/zinc/42/80/30/570428030.db2.gz MYYYCESHNPVUCG-UHFFFAOYSA-N 1 2 383.883 3.014 50 0 GGAALO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccccc4)[C@H]3C2=O)c1 ZINC000245312033 570435337 /nfs/dbraw/zinc/43/53/37/570435337.db2.gz RXFYHRRDRDQGTJ-IVAOSVALSA-N 1 2 388.467 3.139 50 0 GGAALO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@H](C(=O)c4ccccc4)[C@H]3C2=O)c1 ZINC000245312033 570435340 /nfs/dbraw/zinc/43/53/40/570435340.db2.gz RXFYHRRDRDQGTJ-IVAOSVALSA-N 1 2 388.467 3.139 50 0 GGAALO Cc1cccn2cc(C[N@@H+]3CCCn4nc([C@@H](O)c5ccccc5)cc4C3)nc12 ZINC000223001433 570436367 /nfs/dbraw/zinc/43/63/67/570436367.db2.gz OOJDIIDGOJVEIZ-QFIPXVFZSA-N 1 2 387.487 3.327 50 0 GGAALO Cc1cccn2cc(C[N@H+]3CCCn4nc([C@@H](O)c5ccccc5)cc4C3)nc12 ZINC000223001433 570436369 /nfs/dbraw/zinc/43/63/69/570436369.db2.gz OOJDIIDGOJVEIZ-QFIPXVFZSA-N 1 2 387.487 3.327 50 0 GGAALO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccccc4)[C@H]3C2=O)cc1C ZINC000248176524 570440954 /nfs/dbraw/zinc/44/09/54/570440954.db2.gz ZHQNWZMABXGLTE-ANULTFPQSA-N 1 2 388.467 3.139 50 0 GGAALO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccccc4)[C@H]3C2=O)cc1C ZINC000248176524 570440955 /nfs/dbraw/zinc/44/09/55/570440955.db2.gz ZHQNWZMABXGLTE-ANULTFPQSA-N 1 2 388.467 3.139 50 0 GGAALO CCc1ccc2oc(C(=O)NC[C@@H](c3ccccc3OC)[NH+](C)C)cc(=O)c2c1 ZINC000028289179 570454977 /nfs/dbraw/zinc/45/49/77/570454977.db2.gz RXXLXWTXNCPWPP-SFHVURJKSA-N 1 2 394.471 3.397 50 0 GGAALO COc1ccccc1[C@@H](CNC(=O)c1cc(=O)c2ccc(C)c(C)c2o1)[NH+](C)C ZINC000028288377 570455145 /nfs/dbraw/zinc/45/51/45/570455145.db2.gz ZAAQLSXHXTUNCJ-GOSISDBHSA-N 1 2 394.471 3.451 50 0 GGAALO COc1ccccc1[C@@H](CNC(=O)c1cc(=O)c2cc(C)cc(C)c2o1)[NH+](C)C ZINC000028289037 570455197 /nfs/dbraw/zinc/45/51/97/570455197.db2.gz BDEZEEAGTDTOLZ-GOSISDBHSA-N 1 2 394.471 3.451 50 0 GGAALO O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000028288605 570455206 /nfs/dbraw/zinc/45/52/06/570455206.db2.gz DYUPMOXMELGCMX-UHFFFAOYSA-N 1 2 396.878 3.391 50 0 GGAALO O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000028694428 570463035 /nfs/dbraw/zinc/46/30/35/570463035.db2.gz BPSDNVOZXJWGSX-UHFFFAOYSA-N 1 2 382.851 3.348 50 0 GGAALO OCCNc1nc(N2CCN(c3cccc(Cl)c3)CC2)[nH+]c2ccccc21 ZINC000029078457 570468098 /nfs/dbraw/zinc/46/80/98/570468098.db2.gz SEYRDGFTOLIYGI-UHFFFAOYSA-N 1 2 383.883 3.014 50 0 GGAALO Cc1cccc(C(=O)N2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)c1 ZINC000426627845 570502721 /nfs/dbraw/zinc/50/27/21/570502721.db2.gz UHTICSRRHYABLJ-IBGZPJMESA-N 1 2 381.524 3.129 50 0 GGAALO COc1ccc2[nH]cc(C(=O)C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)c2c1 ZINC000036025455 570512748 /nfs/dbraw/zinc/51/27/48/570512748.db2.gz YUNVNLCVJGQHIJ-UHFFFAOYSA-N 1 2 380.444 3.435 50 0 biogenic GGAALO COc1ccc2[nH]cc(C(=O)C[N@H+]3CCc4cc(OC)c(OC)cc4C3)c2c1 ZINC000036025455 570512751 /nfs/dbraw/zinc/51/27/51/570512751.db2.gz YUNVNLCVJGQHIJ-UHFFFAOYSA-N 1 2 380.444 3.435 50 0 biogenic GGAALO OCCNc1nc(N2CCN(c3ccc(Cl)cc3)CC2)[nH+]c2ccccc21 ZINC000041150064 570615532 /nfs/dbraw/zinc/61/55/32/570615532.db2.gz UGYWUZPQPFISAK-UHFFFAOYSA-N 1 2 383.883 3.014 50 0 GGAALO OCCNc1nc(N2CC[NH+](Cc3ccccc3Cl)CC2)nc2ccccc21 ZINC000041150053 570615555 /nfs/dbraw/zinc/61/55/55/570615555.db2.gz VOLVOZPJCAGWIE-UHFFFAOYSA-N 1 2 397.910 3.010 50 0 GGAALO Cc1cc2[nH+]cn(C[C@@H](O)CN3C(=O)N[C@](C)(C4CCCCC4)C3=O)c2cc1C ZINC000328688523 570624958 /nfs/dbraw/zinc/62/49/58/570624958.db2.gz QAAUXVQCYVDRQX-VGOFRKELSA-N 1 2 398.507 3.109 50 0 GGAALO CC(C)(C)OC(=O)[C@@H]([NH3+])CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000169722961 570636735 /nfs/dbraw/zinc/63/67/35/570636735.db2.gz AIVZCRQHFXJCDY-IBGZPJMESA-N 1 2 382.460 3.194 50 0 GGAALO CCn1cc[nH+]c1CNC(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000012317701 570642200 /nfs/dbraw/zinc/64/22/00/570642200.db2.gz XAEABSIGPDAPJD-SFHVURJKSA-N 1 2 377.444 3.470 50 0 GGAALO COc1cccc(-c2nc(C)c(C(=O)N3CCN(c4cccc[nH+]4)CC3)s2)c1 ZINC000012391858 570652355 /nfs/dbraw/zinc/65/23/55/570652355.db2.gz AZUAYLJINDAUIS-UHFFFAOYSA-N 1 2 394.500 3.485 50 0 GGAALO Cc1coc2c1cc1c(C)c(CC(=O)N3CCc4[nH]c[nH+]c4C3)c(=O)oc1c2C ZINC000013569216 570657336 /nfs/dbraw/zinc/65/73/36/570657336.db2.gz YXIWSLWZMJLQLW-UHFFFAOYSA-N 1 2 391.427 3.315 50 0 biogenic GGAALO Cc1coc2c1cc1c(C)c(CC(=O)N3CCc4[nH+]c[nH]c4C3)c(=O)oc1c2C ZINC000013569216 570657342 /nfs/dbraw/zinc/65/73/42/570657342.db2.gz YXIWSLWZMJLQLW-UHFFFAOYSA-N 1 2 391.427 3.315 50 0 biogenic GGAALO Cc1coc2cc3oc(=O)c(CC(=O)N4CCc5[nH]c[nH+]c5C4)c(C)c3cc12 ZINC000013570367 570657889 /nfs/dbraw/zinc/65/78/89/570657889.db2.gz NFKKMLMENFVSJN-UHFFFAOYSA-N 1 2 377.400 3.007 50 0 biogenic GGAALO Cc1coc2cc3oc(=O)c(CC(=O)N4CCc5[nH+]c[nH]c5C4)c(C)c3cc12 ZINC000013570367 570657891 /nfs/dbraw/zinc/65/78/91/570657891.db2.gz NFKKMLMENFVSJN-UHFFFAOYSA-N 1 2 377.400 3.007 50 0 biogenic GGAALO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012434116 570661617 /nfs/dbraw/zinc/66/16/17/570661617.db2.gz LDYZJPABNMLUPH-HXUWFJFHSA-N 1 2 394.519 3.307 50 0 GGAALO NC(=O)[C@H]1CCC[N@H+](Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)C1 ZINC000005589971 570664227 /nfs/dbraw/zinc/66/42/27/570664227.db2.gz NIYRMBSWSRZDRI-KRWDZBQOSA-N 1 2 393.516 3.225 50 0 GGAALO NC(=O)[C@H]1CCC[N@@H+](Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)C1 ZINC000005589971 570664230 /nfs/dbraw/zinc/66/42/30/570664230.db2.gz NIYRMBSWSRZDRI-KRWDZBQOSA-N 1 2 393.516 3.225 50 0 GGAALO CC(C)C[N@H+](C)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 ZINC000012446447 570666768 /nfs/dbraw/zinc/66/67/68/570666768.db2.gz UHMPRZRBKMDYEO-UHFFFAOYSA-N 1 2 377.554 3.449 50 0 GGAALO CC(C)C[N@@H+](C)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 ZINC000012446447 570666772 /nfs/dbraw/zinc/66/67/72/570666772.db2.gz UHMPRZRBKMDYEO-UHFFFAOYSA-N 1 2 377.554 3.449 50 0 GGAALO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2nccn2CC)CC1 ZINC000012447459 570667238 /nfs/dbraw/zinc/66/72/38/570667238.db2.gz GVMZKJGUPSQETG-UHFFFAOYSA-N 1 2 385.508 3.300 50 0 GGAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N2CCC[C@H]2c2ccccn2)nc1 ZINC000012447476 570667328 /nfs/dbraw/zinc/66/73/28/570667328.db2.gz MMCHJRVBESKNOQ-IBGZPJMESA-N 1 2 390.491 3.214 50 0 GGAALO COCc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)o1 ZINC000012464142 570671131 /nfs/dbraw/zinc/67/11/31/570671131.db2.gz IVGVRZBQQYMAHM-FQEVSTJZSA-N 1 2 380.448 3.215 50 0 GGAALO COCc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)o1 ZINC000012464142 570671132 /nfs/dbraw/zinc/67/11/32/570671132.db2.gz IVGVRZBQQYMAHM-FQEVSTJZSA-N 1 2 380.448 3.215 50 0 GGAALO COc1ccccc1N1CC[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000053007173 570673469 /nfs/dbraw/zinc/67/34/69/570673469.db2.gz FIQXHXPSMSZTPK-UHFFFAOYSA-N 1 2 393.409 3.475 50 0 GGAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)NCc1ccco1 ZINC000004341653 570676521 /nfs/dbraw/zinc/67/65/21/570676521.db2.gz SZSRQPYWBGDGIW-UHFFFAOYSA-N 1 2 399.863 3.470 50 0 GGAALO O=C(CSc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1)NCc1ccco1 ZINC000004341703 570676616 /nfs/dbraw/zinc/67/66/16/570676616.db2.gz QRYKGIRJQWRTDJ-UHFFFAOYSA-N 1 2 399.863 3.470 50 0 GGAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)NCc1ccccc1 ZINC000004341554 570676659 /nfs/dbraw/zinc/67/66/59/570676659.db2.gz MQZVCUZSAHPTHB-UHFFFAOYSA-N 1 2 393.447 3.363 50 0 GGAALO COc1ccc(OC)c(NC(=O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000055060308 570680524 /nfs/dbraw/zinc/68/05/24/570680524.db2.gz OCHZPCZBQTZKJP-UHFFFAOYSA-N 1 2 383.492 3.081 50 0 GGAALO COc1ccc(OC)c(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055060438 570680680 /nfs/dbraw/zinc/68/06/80/570680680.db2.gz NPUGILRNUQVBGN-UHFFFAOYSA-N 1 2 389.883 3.118 50 0 GGAALO CCOc1ccccc1-c1nc(C[NH+]2CCN(c3ncccn3)CC2)c(C)o1 ZINC000055153655 570685311 /nfs/dbraw/zinc/68/53/11/570685311.db2.gz CWVARKNJMZLKQQ-UHFFFAOYSA-N 1 2 379.464 3.161 50 0 GGAALO CCn1c(SCC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)nnc1-c1ccncc1 ZINC000017841406 570716709 /nfs/dbraw/zinc/71/67/09/570716709.db2.gz YGVQLKZYKHRDQJ-UHFFFAOYSA-N 1 2 393.476 3.276 50 0 GGAALO c1cc(Nc2nc(N3CCCCC3)[nH+]c(N3CCCCC3)n2)cc2c1OCO2 ZINC000001049922 570748448 /nfs/dbraw/zinc/74/84/48/570748448.db2.gz ZUHGIFBYZKVOIQ-UHFFFAOYSA-N 1 2 382.468 3.325 50 0 GGAALO C[N@@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)C[C@@H]1COCCO1 ZINC000013595215 570761581 /nfs/dbraw/zinc/76/15/81/570761581.db2.gz NJPYPBRTHCCIND-LJQANCHMSA-N 1 2 379.460 3.097 50 0 GGAALO C[N@H+](Cc1nc(C(c2ccccc2)c2ccccc2)no1)C[C@@H]1COCCO1 ZINC000013595215 570761583 /nfs/dbraw/zinc/76/15/83/570761583.db2.gz NJPYPBRTHCCIND-LJQANCHMSA-N 1 2 379.460 3.097 50 0 GGAALO CCOC(=O)c1n[nH]cc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(SC)cc2)C1 ZINC000013636699 570765133 /nfs/dbraw/zinc/76/51/33/570765133.db2.gz CFWKOCHZNIPDFP-HNNXBMFYSA-N 1 2 387.505 3.403 50 0 GGAALO CCOC(=O)c1n[nH]cc1C[N@H+]1CCC[C@H](C(=O)c2ccc(SC)cc2)C1 ZINC000013636699 570765137 /nfs/dbraw/zinc/76/51/37/570765137.db2.gz CFWKOCHZNIPDFP-HNNXBMFYSA-N 1 2 387.505 3.403 50 0 GGAALO N=c1c2c(ncn1CCCn1cc[nH+]c1)Oc1cc(O)ccc1[C@H]2c1ccco1 ZINC000101355130 570819768 /nfs/dbraw/zinc/81/97/68/570819768.db2.gz ZLVBRMQYCVJVLY-SFHVURJKSA-N 1 2 389.415 3.234 50 0 GGAALO Cc1sc2ncnc(SCC(=O)N3CCN(c4cccc[nH+]4)CC3)c2c1C ZINC000007480556 570848252 /nfs/dbraw/zinc/84/82/52/570848252.db2.gz GSGMEQXMILKBRD-UHFFFAOYSA-N 1 2 399.545 3.144 50 0 GGAALO COc1ccccc1/C=C/C[N@H+](C)Cc1nnc(SC)n1C[C@@H]1CCCO1 ZINC000014977418 570868460 /nfs/dbraw/zinc/86/84/60/570868460.db2.gz JEWNXMIZYQZLPD-NADMHLTPSA-N 1 2 388.537 3.333 50 0 GGAALO COc1ccccc1/C=C/C[N@@H+](C)Cc1nnc(SC)n1C[C@@H]1CCCO1 ZINC000014977418 570868462 /nfs/dbraw/zinc/86/84/62/570868462.db2.gz JEWNXMIZYQZLPD-NADMHLTPSA-N 1 2 388.537 3.333 50 0 GGAALO Cn1c(C[N@H+](C)Cc2ccc(O)cc2)nnc1SCCOc1ccccc1 ZINC000014986355 570869671 /nfs/dbraw/zinc/86/96/71/570869671.db2.gz FKMOZNMKKDARQJ-UHFFFAOYSA-N 1 2 384.505 3.324 50 0 GGAALO Cn1c(C[N@@H+](C)Cc2ccc(O)cc2)nnc1SCCOc1ccccc1 ZINC000014986355 570869675 /nfs/dbraw/zinc/86/96/75/570869675.db2.gz FKMOZNMKKDARQJ-UHFFFAOYSA-N 1 2 384.505 3.324 50 0 GGAALO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCC1=CCCCC1)c1ccccc1Cl ZINC000044225464 570872002 /nfs/dbraw/zinc/87/20/02/570872002.db2.gz HCQVXFOOVZMRNV-SFHVURJKSA-N 1 2 377.916 3.066 50 0 GGAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)NCc1ccc(F)cc1 ZINC000003537509 570874290 /nfs/dbraw/zinc/87/42/90/570874290.db2.gz DQZHQFSTKQKKAP-UHFFFAOYSA-N 1 2 393.447 3.363 50 0 GGAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N(CC2CC2)C[C@H]2CCCO2)[nH]n1 ZINC000015070372 570876956 /nfs/dbraw/zinc/87/69/56/570876956.db2.gz DUUHUBDADUIWSZ-GOSISDBHSA-N 1 2 393.491 3.147 50 0 GGAALO CC(C)n1cc[nH+]c1CNC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000534581920 570902963 /nfs/dbraw/zinc/90/29/63/570902963.db2.gz NTPXTYFQDKYPRY-UHFFFAOYSA-N 1 2 376.888 3.311 50 0 GGAALO CC(C)Cn1c[nH+]cc1CNC(=O)N(Cc1ccsc1)C[C@H]1CCCO1 ZINC000534590137 570906183 /nfs/dbraw/zinc/90/61/83/570906183.db2.gz MMZNQOZEACGQNH-GOSISDBHSA-N 1 2 376.526 3.491 50 0 GGAALO CNc1ccc(-c2ccc(C(=O)N3CCC(O)(c4ccccc4)CC3)cc2)c[nH+]1 ZINC000534591827 570906438 /nfs/dbraw/zinc/90/64/38/570906438.db2.gz WGTDERVVWTVPBX-UHFFFAOYSA-N 1 2 387.483 3.336 50 0 GGAALO NC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000023153821 570919640 /nfs/dbraw/zinc/91/96/40/570919640.db2.gz GCKPZFPIXREGOR-UHFFFAOYSA-N 1 2 381.457 3.251 50 0 GGAALO NC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000023153821 570919643 /nfs/dbraw/zinc/91/96/43/570919643.db2.gz GCKPZFPIXREGOR-UHFFFAOYSA-N 1 2 381.457 3.251 50 0 GGAALO Cc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)[nH+]1 ZINC000017013932 570924195 /nfs/dbraw/zinc/92/41/95/570924195.db2.gz ZQCZDNCTYGHQCI-UHFFFAOYSA-N 1 2 383.477 3.395 50 0 GGAALO COC(=O)c1sccc1NC(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000017077187 570938985 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3.120 50 0 GGAALO Cn1ncc2c1nc(NCc1ccccc1)[nH+]c2N1CCN(c2ccccc2)CC1 ZINC000032104241 570960592 /nfs/dbraw/zinc/96/05/92/570960592.db2.gz MTXQAJUDRNGBSF-UHFFFAOYSA-N 1 2 399.502 3.302 50 0 GGAALO CCOc1ccccc1CN1CC[N@H+](Cc2cccc(C(C)=O)c2)C[C@@H]1CCO ZINC000019335227 570976157 /nfs/dbraw/zinc/97/61/57/570976157.db2.gz SIPZTGCMVYJFSR-QHCPKHFHSA-N 1 2 396.531 3.357 50 0 GGAALO CCOc1ccccc1CN1CC[N@@H+](Cc2cccc(C(C)=O)c2)C[C@@H]1CCO ZINC000019335227 570976161 /nfs/dbraw/zinc/97/61/61/570976161.db2.gz SIPZTGCMVYJFSR-QHCPKHFHSA-N 1 2 396.531 3.357 50 0 GGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccc(C(C)=O)c2)C[C@@H]1CCO ZINC000019335227 570976163 /nfs/dbraw/zinc/97/61/63/570976163.db2.gz SIPZTGCMVYJFSR-QHCPKHFHSA-N 1 2 396.531 3.357 50 0 GGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2cccc(C(C)=O)c2)C[C@@H]1CCO ZINC000019335227 570976164 /nfs/dbraw/zinc/97/61/64/570976164.db2.gz SIPZTGCMVYJFSR-QHCPKHFHSA-N 1 2 396.531 3.357 50 0 GGAALO O=C(N1CCOCC1)N1c2ccccc2C[C@@H]([NH+]2CCOCC2)c2ccccc21 ZINC000019375166 570982076 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CCc1nnc(C[NH+]2CCC3(CC(=O)N(C/C=C/c4ccccc4)C3)CC2)o1 ZINC000091434834 571007737 /nfs/dbraw/zinc/00/77/37/571007737.db2.gz MXFASODBLKDHOY-RMKNXTFCSA-N 1 2 380.492 3.160 50 0 GGAALO COc1cccc(CN2CC[NH+](Cc3cccc(OC)c3OC)CC2)c1OC ZINC000019567965 571008664 /nfs/dbraw/zinc/00/86/64/571008664.db2.gz DVFDWVVJABSSLF-UHFFFAOYSA-N 1 2 386.492 3.039 50 0 GGAALO CC(C)Cc1cc(C[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)n[nH]1 ZINC000091505612 571011362 /nfs/dbraw/zinc/01/13/62/571011362.db2.gz KVSCLQKVCUTGJK-UHFFFAOYSA-N 1 2 395.551 3.408 50 0 GGAALO O=C1CC[C@]2(CCCN(c3nc4ccccc4o3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000091536616 571013150 /nfs/dbraw/zinc/01/31/50/571013150.db2.gz OHHLSDBCNDRQCH-OAQYLSRUSA-N 1 2 379.464 3.003 50 0 GGAALO O=C1CC[C@]2(CCCN(c3nc4ccccc4o3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000091536616 571013155 /nfs/dbraw/zinc/01/31/55/571013155.db2.gz OHHLSDBCNDRQCH-OAQYLSRUSA-N 1 2 379.464 3.003 50 0 GGAALO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cnc(-c2cccs2)[nH]c1=O ZINC000091563329 571014979 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ZINC000091943287 571037104 /nfs/dbraw/zinc/03/71/04/571037104.db2.gz UVQZGTNUUGVBGB-GOSISDBHSA-N 1 2 376.460 3.355 50 0 GGAALO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3ccc(F)c(F)c3F)C2)N1Cc1ccccn1 ZINC000091988475 571039012 /nfs/dbraw/zinc/03/90/12/571039012.db2.gz MQCAACPNLVYLPX-GOEBONIOSA-N 1 2 375.394 3.122 50 0 GGAALO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc(F)c(F)c3F)C2)N1Cc1ccccn1 ZINC000091988475 571039014 /nfs/dbraw/zinc/03/90/14/571039014.db2.gz MQCAACPNLVYLPX-GOEBONIOSA-N 1 2 375.394 3.122 50 0 GGAALO Cc1cc(C(=O)N2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)c(C)o1 ZINC000095359757 571054724 /nfs/dbraw/zinc/05/47/24/571054724.db2.gz LAEAGOZPMUUCKY-UHFFFAOYSA-N 1 2 398.507 3.028 50 0 GGAALO O=C1CC2(CN1CCCc1ccccc1)CC[NH+](Cc1nnc(C3CC3)o1)CC2 ZINC000095364389 571057470 /nfs/dbraw/zinc/05/74/70/571057470.db2.gz RXJORQQLDXSAHA-UHFFFAOYSA-N 1 2 394.519 3.394 50 0 GGAALO CC(C)C(=O)Nc1ccc([C@H](C(=O)[O-])[NH+]2CCC(Cn3cc[nH+]c3)CC2)cc1 ZINC000095365845 571057813 /nfs/dbraw/zinc/05/78/13/571057813.db2.gz HOJWGINFLRSBSS-LJQANCHMSA-N 1 2 384.480 3.016 50 0 GGAALO O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000095369902 571060229 /nfs/dbraw/zinc/06/02/29/571060229.db2.gz JCDHCSZAQWMHQW-HXUWFJFHSA-N 1 2 397.910 3.497 50 0 GGAALO Cc1[nH]nc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c1C ZINC000095370884 571061319 /nfs/dbraw/zinc/06/13/19/571061319.db2.gz FUIUGFFIASFTSK-AZUAARDMSA-N 1 2 384.499 3.221 50 0 GGAALO Cc1[nH]nc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)c1C ZINC000095370884 571061320 /nfs/dbraw/zinc/06/13/20/571061320.db2.gz FUIUGFFIASFTSK-AZUAARDMSA-N 1 2 384.499 3.221 50 0 GGAALO Cc1nc(C)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)s1 ZINC000095375681 571064362 /nfs/dbraw/zinc/06/43/62/571064362.db2.gz WBQDTONGXIZAGG-QGZVFWFLSA-N 1 2 381.505 3.420 50 0 GGAALO O=S(=O)(c1ccccc1F)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095376665 571064755 /nfs/dbraw/zinc/06/47/55/571064755.db2.gz OKAHJYYJOURTFL-MRXNPFEDSA-N 1 2 377.485 3.391 50 0 GGAALO O=C(c1cnc(-c2cccnc2)nc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000095390404 571071981 /nfs/dbraw/zinc/07/19/81/571071981.db2.gz DTJZTHGXXLUEMQ-VMPITWQZSA-N 1 2 385.471 3.010 50 0 GGAALO Cc1ccc2[nH]nc(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](Cc3cscn3)C4)c2c1 ZINC000095391878 571073182 /nfs/dbraw/zinc/07/31/82/571073182.db2.gz QVWLKHBMFZJZOZ-GOEBONIOSA-N 1 2 381.505 3.064 50 0 GGAALO Cc1ccc2[nH]nc(C(=O)N3C[C@H]4CC[C@@H]3C[N@@H+](Cc3cscn3)C4)c2c1 ZINC000095391878 571073185 /nfs/dbraw/zinc/07/31/85/571073185.db2.gz QVWLKHBMFZJZOZ-GOEBONIOSA-N 1 2 381.505 3.064 50 0 GGAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccccc2-c2nc[nH]n2)C1 ZINC000095498358 571074960 /nfs/dbraw/zinc/07/49/60/571074960.db2.gz PVQMJRVVBGWXDB-MRXNPFEDSA-N 1 2 378.480 3.488 50 0 GGAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccccc2-c2nnc[nH]2)C1 ZINC000095498358 571074962 /nfs/dbraw/zinc/07/49/62/571074962.db2.gz PVQMJRVVBGWXDB-MRXNPFEDSA-N 1 2 378.480 3.488 50 0 GGAALO Cc1noc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)n1 ZINC000095498628 571074984 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391.515 3.057 50 0 GGAALO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2)cc1)N1CCCCC1 ZINC000015067553 1399135638 /nfs/dbraw/zinc/13/56/38/1399135638.db2.gz HRLFAYHEBFLEHE-JOCHJYFZSA-N 1 2 391.515 3.057 50 0 GGAALO CCOC(=O)N1CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020450663 1399346809 /nfs/dbraw/zinc/34/68/09/1399346809.db2.gz UXKKVIFEJNWJAC-GOSISDBHSA-N 1 2 399.457 3.444 50 0 GGAALO COc1ccc(-c2noc(CN3CC[NH+](Cc4cccc(F)c4)CC3)n2)cc1 ZINC000020537476 1399348813 /nfs/dbraw/zinc/34/88/13/1399348813.db2.gz NNJJHOLDEXPMID-UHFFFAOYSA-N 1 2 382.439 3.202 50 0 GGAALO CC(C)c1csc(CN2CC[N@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)n1 ZINC000020781828 1399353024 /nfs/dbraw/zinc/35/30/24/1399353024.db2.gz VDMMLLTVTVWXNT-SFHVURJKSA-N 1 2 377.529 3.474 50 0 GGAALO CC(C)c1csc(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@@H](CCO)C2)n1 ZINC000020781828 1399353029 /nfs/dbraw/zinc/35/30/29/1399353029.db2.gz VDMMLLTVTVWXNT-SFHVURJKSA-N 1 2 377.529 3.474 50 0 GGAALO CCOc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(C)CC2)cc1 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CCc1[nH+]ccn1CC(=O)N1CCC(c2[nH]ncc2Cc2ccccc2)CC1 ZINC000077488227 208047449 /nfs/dbraw/zinc/04/74/49/208047449.db2.gz KHNODLQQIFCROZ-UHFFFAOYSA-N 1 2 377.492 3.166 50 0 GGAALO O=C(c1ccc(SCCO)cc1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000077506129 208049428 /nfs/dbraw/zinc/04/94/28/208049428.db2.gz HGFRWZUFUPLWJV-UHFFFAOYSA-N 1 2 390.936 3.382 50 0 GGAALO O=S1(=O)C[C@H]2[C@@H](C1)[N@H+](CC1CC1)CCN2Cc1ccccc1-c1ccccc1 ZINC000072411486 208019317 /nfs/dbraw/zinc/01/93/17/208019317.db2.gz ADRQDQWCQCNVDN-PKTZIBPZSA-N 1 2 396.556 3.047 50 0 GGAALO O=S1(=O)C[C@H]2[C@@H](C1)[N@@H+](CC1CC1)CCN2Cc1ccccc1-c1ccccc1 ZINC000072411486 208019323 /nfs/dbraw/zinc/01/93/23/208019323.db2.gz ADRQDQWCQCNVDN-PKTZIBPZSA-N 1 2 396.556 3.047 50 0 GGAALO O=C(NCC1=CCCCC1)c1ccc2c(c1)CN(CCCn1cc[nH+]c1)C2=O ZINC000072418132 208019783 /nfs/dbraw/zinc/01/97/83/208019783.db2.gz FCZYGWBSNMNXGJ-UHFFFAOYSA-N 1 2 378.476 3.159 50 0 GGAALO CCCc1ccc(C[N@@H+]2CCOC[C@@H]2CC(=O)Nc2ccc3c(c2)OCO3)o1 ZINC000072421246 208020327 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QTHIETUEWOUCHI-HXUWFJFHSA-N 1 2 375.472 3.258 50 0 biogenic GGAALO Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000575615103 570353134 /nfs/dbraw/zinc/35/31/34/570353134.db2.gz BIVCFMMDLFITOX-SFHVURJKSA-N 1 2 392.459 3.045 50 0 GGAALO COc1ccccc1-c1ncc(C[N@@H+]2CCCn3nc([C@H](C)O)cc3C2)s1 ZINC000219390016 570358411 /nfs/dbraw/zinc/35/84/11/570358411.db2.gz IVFOYIPBUBYERV-AWEZNQCLSA-N 1 2 384.505 3.474 50 0 GGAALO COc1ccccc1-c1ncc(C[N@H+]2CCCn3nc([C@H](C)O)cc3C2)s1 ZINC000219390016 570358416 /nfs/dbraw/zinc/35/84/16/570358416.db2.gz IVFOYIPBUBYERV-AWEZNQCLSA-N 1 2 384.505 3.474 50 0 GGAALO COc1ccccc1-c1ncc(C[N@@H+]2CCCn3nc([C@@H](C)O)cc3C2)s1 ZINC000219389950 570358594 /nfs/dbraw/zinc/35/85/94/570358594.db2.gz IVFOYIPBUBYERV-CQSZACIVSA-N 1 2 384.505 3.474 50 0 GGAALO COc1ccccc1-c1ncc(C[N@H+]2CCCn3nc([C@@H](C)O)cc3C2)s1 ZINC000219389950 570358596 /nfs/dbraw/zinc/35/85/96/570358596.db2.gz IVFOYIPBUBYERV-CQSZACIVSA-N 1 2 384.505 3.474 50 0 GGAALO Cc1nc(-c2ccc(C[NH+]3CCC(Oc4ncccn4)CC3)cc2)[nH]c(=O)c1F ZINC000023428918 570362127 /nfs/dbraw/zinc/36/21/27/570362127.db2.gz AGMXVZBIGKYJMI-UHFFFAOYSA-N 1 2 395.438 3.130 50 0 GGAALO COc1ccccc1N=c1sc(C(C)=O)c(C)n1CCC[NH+]1CCOCC1 ZINC000004940160 570376200 /nfs/dbraw/zinc/37/62/00/570376200.db2.gz FEBKTGKPTCYPNB-MRCUWXFGSA-N 1 2 389.521 3.024 50 0 GGAALO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCNc1cc(-n2cccc2)nc[nH+]1 ZINC000090607804 570383692 /nfs/dbraw/zinc/38/36/92/570383692.db2.gz BHCVVSSFRYLVRC-UHFFFAOYSA-N 1 2 399.882 3.306 50 0 GGAALO CCCOc1ccc(N2C(=O)C=C([NH2+]Nc3nc4ccccc4s3)C2O)cc1 ZINC000004551355 570383806 /nfs/dbraw/zinc/38/38/06/570383806.db2.gz PKUJRYUDQJKVND-INIZCTEOSA-N 1 2 396.472 3.334 50 0 GGAALO Cn1nccc1[C@@H](O)c1cc2n(n1)CC[N@H+](Cc1ccc(C(C)(C)C)cc1)C2 ZINC000221235727 570392349 /nfs/dbraw/zinc/39/23/49/570392349.db2.gz LNWMGJXDNQINSK-NRFANRHFSA-N 1 2 379.508 3.012 50 0 GGAALO Cn1nccc1[C@@H](O)c1cc2n(n1)CC[N@@H+](Cc1ccc(C(C)(C)C)cc1)C2 ZINC000221235727 570392353 /nfs/dbraw/zinc/39/23/53/570392353.db2.gz LNWMGJXDNQINSK-NRFANRHFSA-N 1 2 379.508 3.012 50 0 GGAALO COC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3c[nH+]c4n3CCC4)c2)cc1 ZINC000090655319 570407019 /nfs/dbraw/zinc/40/70/19/570407019.db2.gz MTZHKTMIURISEE-UHFFFAOYSA-N 1 2 397.456 3.084 50 0 GGAALO C[NH+](C)c1ccc(N(Cn2nnc3ccccc32)Cn2nnc3ccccc32)cc1 ZINC000005285575 570433373 /nfs/dbraw/zinc/43/33/73/570433373.db2.gz RNGGXSXWNKFTLS-UHFFFAOYSA-N 1 2 398.474 3.364 50 0 GGAALO Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H]4CCC[N@@H+]4[C@H](C(=O)c4ccccc4)[C@H]3C2=O)c1 ZINC000245312035 570435384 /nfs/dbraw/zinc/43/53/84/570435384.db2.gz RXFYHRRDRDQGTJ-TUFLPTIASA-N 1 2 388.467 3.139 50 0 GGAALO Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H]4CCC[N@H+]4[C@H](C(=O)c4ccccc4)[C@H]3C2=O)c1 ZINC000245312035 570435385 /nfs/dbraw/zinc/43/53/85/570435385.db2.gz RXFYHRRDRDQGTJ-TUFLPTIASA-N 1 2 388.467 3.139 50 0 GGAALO C[C@H]1CC[C@H](C(=O)N2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)CC1 ZINC000244633495 570436078 /nfs/dbraw/zinc/43/60/78/570436078.db2.gz GEAIEVKMOODPQU-IYARVYRRSA-N 1 2 386.540 3.010 50 0 GGAALO C[C@H]1CC[C@H](C(=O)N2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)CC1 ZINC000244633495 570436080 /nfs/dbraw/zinc/43/60/80/570436080.db2.gz GEAIEVKMOODPQU-IYARVYRRSA-N 1 2 386.540 3.010 50 0 GGAALO Cc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCOCC2)cc1 ZINC000027580339 570436133 /nfs/dbraw/zinc/43/61/33/570436133.db2.gz YTJSMWAWFMAUIQ-QFIPXVFZSA-N 1 2 382.504 3.180 50 0 GGAALO Cc1ccc([C@H](CNC(=O)COc2cccc(Cl)c2)[NH+]2CCOCC2)cc1 ZINC000027581464 570436447 /nfs/dbraw/zinc/43/64/47/570436447.db2.gz WOBIUDJICLUHSO-FQEVSTJZSA-N 1 2 388.895 3.217 50 0 GGAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000248381685 570441392 /nfs/dbraw/zinc/44/13/92/570441392.db2.gz UTBYQBHAOYJZIU-UAFMIMERSA-N 1 2 392.842 3.444 50 0 GGAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000248381685 570441395 /nfs/dbraw/zinc/44/13/95/570441395.db2.gz UTBYQBHAOYJZIU-UAFMIMERSA-N 1 2 392.842 3.444 50 0 GGAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000248381686 570441456 /nfs/dbraw/zinc/44/14/56/570441456.db2.gz UTBYQBHAOYJZIU-WTGUMLROSA-N 1 2 392.842 3.444 50 0 GGAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000248381686 570441460 /nfs/dbraw/zinc/44/14/60/570441460.db2.gz UTBYQBHAOYJZIU-WTGUMLROSA-N 1 2 392.842 3.444 50 0 GGAALO O=S(=O)(c1nc(-c2ccco2)oc1NCCCn1cc[nH+]c1)c1ccccc1 ZINC000006467725 570442723 /nfs/dbraw/zinc/44/27/23/570442723.db2.gz BYNBLLASEBQKPK-UHFFFAOYSA-N 1 2 398.444 3.466 50 0 GGAALO CCOC(=O)N1CCC(Nc2[nH+]cnc3c2cnn3-c2ccc(C)cc2C)CC1 ZINC000005598248 570448298 /nfs/dbraw/zinc/44/82/98/570448298.db2.gz WWWWKLIOSVCKBH-UHFFFAOYSA-N 1 2 394.479 3.465 50 0 GGAALO COC(=O)c1ccc(N2CCN(c3cc(C)c4cccc(C)c4[nH+]3)CC2)nc1 ZINC000005752553 570455296 /nfs/dbraw/zinc/45/52/96/570455296.db2.gz LFYFZFKIZJFYMA-UHFFFAOYSA-N 1 2 376.460 3.360 50 0 GGAALO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000035939822 570481494 /nfs/dbraw/zinc/48/14/94/570481494.db2.gz UPGGOVGWZFWCAL-UHFFFAOYSA-N 1 2 395.434 3.481 50 0 GGAALO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000035939822 570481496 /nfs/dbraw/zinc/48/14/96/570481496.db2.gz UPGGOVGWZFWCAL-UHFFFAOYSA-N 1 2 395.434 3.481 50 0 GGAALO Cc1cc(CNC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)on1 ZINC000426628250 570502876 /nfs/dbraw/zinc/50/28/76/570502876.db2.gz MJCUTQINLIUOPI-UHFFFAOYSA-N 1 2 386.477 3.138 50 0 GGAALO Cc1cc(CNC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)on1 ZINC000426628250 570502878 /nfs/dbraw/zinc/50/28/78/570502878.db2.gz MJCUTQINLIUOPI-UHFFFAOYSA-N 1 2 386.477 3.138 50 0 GGAALO Cc1coc2cc3oc(=O)c(CC(=O)NCCCn4cc[nH+]c4)c(C)c3cc12 ZINC000006623694 570507674 /nfs/dbraw/zinc/50/76/74/570507674.db2.gz YSELGTGEHXAFFG-UHFFFAOYSA-N 1 2 379.416 3.102 50 0 biogenic GGAALO COc1ccc2[nH]c(C)c(C(=O)C[NH+]3CCN(c4ccccc4OC)CC3)c2c1 ZINC000036006998 570510681 /nfs/dbraw/zinc/51/06/81/570510681.db2.gz ZUUCEFPJEWDQJA-UHFFFAOYSA-N 1 2 393.487 3.498 50 0 GGAALO COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000032744791 570513666 /nfs/dbraw/zinc/51/36/66/570513666.db2.gz PAAWZFUGLLBPSI-MRXNPFEDSA-N 1 2 384.476 3.027 50 0 GGAALO CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000008722997 570537938 /nfs/dbraw/zinc/53/79/38/570537938.db2.gz ZQNBDVXUFAJRRB-UHFFFAOYSA-N 1 2 381.476 3.114 50 0 GGAALO COc1cc(OC)c(OC)cc1C[NH+]1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000023114786 570538854 /nfs/dbraw/zinc/53/88/54/570538854.db2.gz IKKPBMMIDRAKAC-UHFFFAOYSA-N 1 2 384.476 3.237 50 0 GGAALO C[C@H](NC(=O)N1CC[NH+](CCOc2ccccc2)CC1)c1ccc(F)cc1F ZINC000437710464 570548671 /nfs/dbraw/zinc/54/86/71/570548671.db2.gz AKZWYSKWEFUKCY-INIZCTEOSA-N 1 2 389.446 3.432 50 0 GGAALO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)NC(N2CCCCC2)=[NH+]1 ZINC000009227007 570552756 /nfs/dbraw/zinc/55/27/56/570552756.db2.gz CHESSRFHUXBJDK-LJQANCHMSA-N 1 2 392.459 3.148 50 0 GGAALO COCc1c(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)cnn1-c1ccccc1 ZINC000464655156 570556344 /nfs/dbraw/zinc/55/63/44/570556344.db2.gz MRZRKJVDZGQXLI-UHFFFAOYSA-N 1 2 395.850 3.250 50 0 GGAALO CCOc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036636406 570567085 /nfs/dbraw/zinc/56/70/85/570567085.db2.gz AWQVLWXLHJZBNC-UHFFFAOYSA-N 1 2 394.924 3.245 50 0 GGAALO c1ccc(Cc2nnc(SCC[NH+]3CCOCC3)n2-c2ccccc2)cc1 ZINC000036646220 570567367 /nfs/dbraw/zinc/56/73/67/570567367.db2.gz VUEJSWBRSQOUAF-UHFFFAOYSA-N 1 2 380.517 3.282 50 0 GGAALO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CCc2ccccc2Cl)CC1 ZINC000010458042 570571236 /nfs/dbraw/zinc/57/12/36/570571236.db2.gz CSMITZJMZWDBRN-UHFFFAOYSA-N 1 2 385.895 3.299 50 0 GGAALO CC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000004327957 570572593 /nfs/dbraw/zinc/57/25/93/570572593.db2.gz XRGCKGQDXUFGKO-FUMNGEBKSA-N 1 2 392.842 3.444 50 0 aggregator GGAALO CC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000004327957 570572595 /nfs/dbraw/zinc/57/25/95/570572595.db2.gz XRGCKGQDXUFGKO-FUMNGEBKSA-N 1 2 392.842 3.444 50 0 aggregator GGAALO O=c1c(CN2CC[N@H+](Cc3ccccc3F)[C@H](CCO)C2)coc2ccccc12 ZINC000022919762 570575450 /nfs/dbraw/zinc/57/54/50/570575450.db2.gz LPCDKNXTWLPOLP-LJQANCHMSA-N 1 2 396.462 3.001 50 0 GGAALO O=c1c(CN2CC[N@@H+](Cc3ccccc3F)[C@H](CCO)C2)coc2ccccc12 ZINC000022919762 570575453 /nfs/dbraw/zinc/57/54/53/570575453.db2.gz LPCDKNXTWLPOLP-LJQANCHMSA-N 1 2 396.462 3.001 50 0 GGAALO O=c1c(C[N@@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)coc2ccccc12 ZINC000022919762 570575456 /nfs/dbraw/zinc/57/54/56/570575456.db2.gz LPCDKNXTWLPOLP-LJQANCHMSA-N 1 2 396.462 3.001 50 0 GGAALO O=c1c(C[N@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)coc2ccccc12 ZINC000022919762 570575460 /nfs/dbraw/zinc/57/54/60/570575460.db2.gz LPCDKNXTWLPOLP-LJQANCHMSA-N 1 2 396.462 3.001 50 0 GGAALO Cc1ccn2cc(CNC(=O)[C@H]3CCC(=O)N(C4CCCCCC4)C3)[nH+]c2c1 ZINC000011663623 570577855 /nfs/dbraw/zinc/57/78/55/570577855.db2.gz VNXRIKUVGJLHBM-KRWDZBQOSA-N 1 2 382.508 3.220 50 0 GGAALO CCn1ccnc1C[NH+]1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1 ZINC000011664300 570578374 /nfs/dbraw/zinc/57/83/74/570578374.db2.gz HPTLZUGOYPLTOE-UHFFFAOYSA-N 1 2 392.507 3.118 50 0 GGAALO CC(C)(C)c1ccc(C(=O)N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000038530378 570580187 /nfs/dbraw/zinc/58/01/87/570580187.db2.gz WDOPVJRQTWOVHO-UHFFFAOYSA-N 1 2 393.535 3.337 50 0 GGAALO CC(C)(C)c1ccc(C(=O)N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)cc1 ZINC000038530378 570580190 /nfs/dbraw/zinc/58/01/90/570580190.db2.gz WDOPVJRQTWOVHO-UHFFFAOYSA-N 1 2 393.535 3.337 50 0 GGAALO Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)c1 ZINC000038528337 570580479 /nfs/dbraw/zinc/58/04/79/570580479.db2.gz CHHNCKXIACAUDK-UHFFFAOYSA-N 1 2 380.496 3.048 50 0 GGAALO Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)c1 ZINC000038528337 570580482 /nfs/dbraw/zinc/58/04/82/570580482.db2.gz CHHNCKXIACAUDK-UHFFFAOYSA-N 1 2 380.496 3.048 50 0 GGAALO O=C(c1ccc(Cl)cc1)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528507 570580508 /nfs/dbraw/zinc/58/05/08/570580508.db2.gz WLQKCESSTTUHNN-UHFFFAOYSA-N 1 2 385.899 3.083 50 0 GGAALO O=C(c1ccc(Cl)cc1)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528507 570580509 /nfs/dbraw/zinc/58/05/09/570580509.db2.gz WLQKCESSTTUHNN-UHFFFAOYSA-N 1 2 385.899 3.083 50 0 GGAALO Cc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1C ZINC000038528476 570580518 /nfs/dbraw/zinc/58/05/18/570580518.db2.gz MZGHRQPCOVWSLZ-UHFFFAOYSA-N 1 2 379.508 3.046 50 0 GGAALO Cc1ccc(C(=O)N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)cc1C ZINC000038528476 570580523 /nfs/dbraw/zinc/58/05/23/570580523.db2.gz MZGHRQPCOVWSLZ-UHFFFAOYSA-N 1 2 379.508 3.046 50 0 GGAALO O=C(Nc1ccccc1Cl)N1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000038528339 570580562 /nfs/dbraw/zinc/58/05/62/570580562.db2.gz NPBFTFLWFUTCBY-UHFFFAOYSA-N 1 2 386.887 3.084 50 0 GGAALO O=C(Nc1ccccc1Cl)N1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000038528339 570580564 /nfs/dbraw/zinc/58/05/64/570580564.db2.gz NPBFTFLWFUTCBY-UHFFFAOYSA-N 1 2 386.887 3.084 50 0 GGAALO Cc1c[nH]c(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)n1 ZINC000011819532 570585479 /nfs/dbraw/zinc/58/54/79/570585479.db2.gz RSJIHYDJWYCOES-UHFFFAOYSA-N 1 2 382.508 3.388 50 0 GGAALO O=C(c1ccccn1)[C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000011878144 570589858 /nfs/dbraw/zinc/58/98/58/570589858.db2.gz XNQMHOPJIQHWOZ-INIZCTEOSA-N 1 2 380.423 3.289 50 0 GGAALO O=C(c1ccccn1)[C@H]1CCC[N@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000011878144 570589862 /nfs/dbraw/zinc/58/98/62/570589862.db2.gz XNQMHOPJIQHWOZ-INIZCTEOSA-N 1 2 380.423 3.289 50 0 GGAALO Cc1cc(-n2cccn2)ccc1CN1CC[N@H+](Cc2ccsc2)[C@H](CCO)C1 ZINC000039466605 570592197 /nfs/dbraw/zinc/59/21/97/570592197.db2.gz HBZBOVGZCXIWSU-JOCHJYFZSA-N 1 2 396.560 3.311 50 0 GGAALO Cc1cc(-n2cccn2)ccc1CN1CC[N@@H+](Cc2ccsc2)[C@H](CCO)C1 ZINC000039466605 570592201 /nfs/dbraw/zinc/59/22/01/570592201.db2.gz HBZBOVGZCXIWSU-JOCHJYFZSA-N 1 2 396.560 3.311 50 0 GGAALO CC(=O)c1ccc(OCc2cc(C(=O)N(Cc3[nH+]ccn3C)C(C)C)no2)cc1 ZINC000011934348 570593314 /nfs/dbraw/zinc/59/33/14/570593314.db2.gz AKOWJGJIJFHDKN-UHFFFAOYSA-N 1 2 396.447 3.241 50 0 GGAALO CCn1cc[nH+]c1CNC(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 ZINC000011935888 570593460 /nfs/dbraw/zinc/59/34/60/570593460.db2.gz AMVAOEUADUFIBV-UHFFFAOYSA-N 1 2 380.448 3.279 50 0 GGAALO O=C(c1csc(-c2cnccn2)n1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000034200418 570594385 /nfs/dbraw/zinc/59/43/85/570594385.db2.gz OJDTUVLQQAMPGQ-QPJJXVBHSA-N 1 2 391.500 3.071 50 0 GGAALO CC(C)n1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)cn1 ZINC000012076857 570605829 /nfs/dbraw/zinc/60/58/29/570605829.db2.gz KLCRKXNLCKMVHX-FQEVSTJZSA-N 1 2 378.480 3.253 50 0 GGAALO CC(C)n1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)cn1 ZINC000012076857 570605831 /nfs/dbraw/zinc/60/58/31/570605831.db2.gz KLCRKXNLCKMVHX-FQEVSTJZSA-N 1 2 378.480 3.253 50 0 GGAALO Cc1c[nH]c(CN(C)C(=O)c2cc(COc3ccc4sc(C)nc4c3)on2)[nH+]1 ZINC000012201612 570624298 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Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)c2cccnc2)CC1 ZINC000012435302 570662186 /nfs/dbraw/zinc/66/21/86/570662186.db2.gz LFKZAMXYTBHDNZ-UHFFFAOYSA-N 1 2 387.487 3.042 50 0 GGAALO CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N2CCC[C@@H]2c2ccccn2)nc1 ZINC000012447474 570667387 /nfs/dbraw/zinc/66/73/87/570667387.db2.gz MMCHJRVBESKNOQ-LJQANCHMSA-N 1 2 390.491 3.214 50 0 GGAALO CCCc1cc(N2CCn3nc([C@H](O)Cc4ccccc4)cc3C2)nc(C)[nH+]1 ZINC000230566777 570668936 /nfs/dbraw/zinc/66/89/36/570668936.db2.gz UGBJVKUUVVYAMG-OAQYLSRUSA-N 1 2 377.492 3.230 50 0 GGAALO COc1ccc(-c2noc(C[NH+]3CCN(c4ccccc4)CC3)n2)cc1OC ZINC000053771360 570675420 /nfs/dbraw/zinc/67/54/20/570675420.db2.gz ZGZWSHRRFJWWDN-UHFFFAOYSA-N 1 2 380.448 3.076 50 0 GGAALO Cc1ccc(-n2cc[nH+]c2N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000012444677 570678731 /nfs/dbraw/zinc/67/87/31/570678731.db2.gz QWTIURJLKSUJEQ-UHFFFAOYSA-N 1 2 382.414 3.421 50 0 GGAALO CCC[C@@H](NC(=O)CCCn1nnnc1C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000012588441 570685872 /nfs/dbraw/zinc/68/58/72/570685872.db2.gz SELGFHTWIPPWQC-HXUWFJFHSA-N 1 2 398.555 3.343 50 0 GGAALO COc1ccc(CN2C(=O)O[C@@H]3C[N@@H+](Cc4ccccc4F)C[C@@H]32)cc1OC ZINC000055182817 570686183 /nfs/dbraw/zinc/68/61/83/570686183.db2.gz IZPZHMSLBDLNOE-FXAWDEMLSA-N 1 2 386.423 3.048 50 0 GGAALO COc1ccc(CN2C(=O)O[C@@H]3C[N@H+](Cc4ccccc4F)C[C@@H]32)cc1OC ZINC000055182817 570686185 /nfs/dbraw/zinc/68/61/85/570686185.db2.gz IZPZHMSLBDLNOE-FXAWDEMLSA-N 1 2 386.423 3.048 50 0 GGAALO C[C@H](c1ccncn1)[N@H+](C)Cc1c(C(=O)N2CCCCC2)nc2sccn12 ZINC000055183165 570686300 /nfs/dbraw/zinc/68/63/00/570686300.db2.gz OTDIFMZZMKASKW-CQSZACIVSA-N 1 2 384.509 3.005 50 0 GGAALO C[C@H](c1ccncn1)[N@@H+](C)Cc1c(C(=O)N2CCCCC2)nc2sccn12 ZINC000055183165 570686302 /nfs/dbraw/zinc/68/63/02/570686302.db2.gz OTDIFMZZMKASKW-CQSZACIVSA-N 1 2 384.509 3.005 50 0 GGAALO CCOC(=O)C1CC[NH+](Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)CC1 ZINC000012590854 570687192 /nfs/dbraw/zinc/68/71/92/570687192.db2.gz GJEZYPAWLZLVBF-UHFFFAOYSA-N 1 2 397.397 3.454 50 0 GGAALO C[N@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1ccc2nsnc2c1 ZINC000055225345 570687944 /nfs/dbraw/zinc/68/79/44/570687944.db2.gz HUBLTMMIFKVHOZ-UHFFFAOYSA-N 1 2 381.417 3.102 50 0 GGAALO C[N@@H+](Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1ccc2nsnc2c1 ZINC000055225345 570687947 /nfs/dbraw/zinc/68/79/47/570687947.db2.gz HUBLTMMIFKVHOZ-UHFFFAOYSA-N 1 2 381.417 3.102 50 0 GGAALO C/C=C(\C)C[NH+]1CCC(CC(=O)OCC)(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012594639 570688685 /nfs/dbraw/zinc/68/86/85/570688685.db2.gz XEWMQSGLZLFOOI-AYSLTRBKSA-N 1 2 397.512 3.353 50 0 GGAALO O=C(Cc1ccc(O)c(Cl)c1)N(CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000055326757 570691374 /nfs/dbraw/zinc/69/13/74/570691374.db2.gz PTGRAIWAIMXKFZ-UHFFFAOYSA-N 1 2 384.867 3.299 50 0 GGAALO COc1c(F)c(F)c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(F)c1F ZINC000012651307 570695565 /nfs/dbraw/zinc/69/55/65/570695565.db2.gz DTZDSYSWNUKYFW-UHFFFAOYSA-N 1 2 398.356 3.336 50 0 GGAALO COc1ccc(Cc2nn3c(C[NH+]4CCCCCC4)nnc3s2)cc1OC ZINC000057524607 570702886 /nfs/dbraw/zinc/70/28/86/570702886.db2.gz IDHFQSWARUKZKT-UHFFFAOYSA-N 1 2 387.509 3.170 50 0 GGAALO CC[C@H]1CCCC[N@@H+]1CCCn1c(=O)c2ccc(C(=O)OC)cc2[nH]c1=S ZINC000017269424 570703053 /nfs/dbraw/zinc/70/30/53/570703053.db2.gz KQOJWIWEWIWHQC-HNNXBMFYSA-N 1 2 389.521 3.126 50 0 GGAALO CC[C@H]1CCCC[N@H+]1CCCn1c(=O)c2ccc(C(=O)OC)cc2[nH]c1=S ZINC000017269424 570703054 /nfs/dbraw/zinc/70/30/54/570703054.db2.gz KQOJWIWEWIWHQC-HNNXBMFYSA-N 1 2 389.521 3.126 50 0 GGAALO COc1ccc(F)cc1S(=O)(=O)N1CC[C@H](n2c(C)[nH+]c3ccccc32)C1 ZINC000585149216 570712177 /nfs/dbraw/zinc/71/21/77/570712177.db2.gz JENSZJSROUSROI-HNNXBMFYSA-N 1 2 389.452 3.128 50 0 GGAALO COc1cc(C[NH+]2CCN(C(=O)Nc3ccccc3)CC2)cc(OC)c1OC ZINC000059916499 570739754 /nfs/dbraw/zinc/73/97/54/570739754.db2.gz DOIYSDCQAQGKAZ-UHFFFAOYSA-N 1 2 385.464 3.062 50 0 GGAALO CSc1nc2nc(-c3ccc(C)cc3)oc2c(NC[C@H](C)[NH+]2CCOCC2)n1 ZINC000061997361 570743700 /nfs/dbraw/zinc/74/37/00/570743700.db2.gz NJIPBCQALUJMCE-AWEZNQCLSA-N 1 2 399.520 3.448 50 0 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/nfs/dbraw/zinc/91/58/85/570915885.db2.gz QXQRJTIEPQJKJJ-UHFFFAOYSA-N 1 2 396.487 3.026 50 0 GGAALO CC(C)[C@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1nccn1C ZINC000534667797 570919918 /nfs/dbraw/zinc/91/99/18/570919918.db2.gz PXNMYNDILFYUMY-OSICKASQSA-N 1 2 381.524 3.158 50 0 GGAALO COc1ccc([C@H](O)CN2CCc3c([nH+]c(Cc4ccccc4)n3C)C2)cc1 ZINC000001271186 570951868 /nfs/dbraw/zinc/95/18/68/570951868.db2.gz OLPFKHRRXGKSCW-JOCHJYFZSA-N 1 2 377.488 3.111 50 0 GGAALO Cc1ccc(NC(=O)CC(C)(C)CC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000004739936 570953838 /nfs/dbraw/zinc/95/38/38/570953838.db2.gz CMWVPVIFIQQFHG-UHFFFAOYSA-N 1 2 394.519 3.484 50 0 GGAALO CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)o1 ZINC000195287150 570964063 /nfs/dbraw/zinc/96/40/63/570964063.db2.gz DHTORNYINLDUKW-UHFFFAOYSA-N 1 2 399.472 3.276 50 0 GGAALO CCOC(=O)c1c2cc(O)ccc2oc1C[NH+]1CCC(C(=O)OCC)CC1 ZINC000004786617 570990447 /nfs/dbraw/zinc/99/04/47/570990447.db2.gz UACPSBJFQHKKGU-UHFFFAOYSA-N 1 2 375.421 3.090 50 0 GGAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cnc(-c3ccncc3)nc2)C1 ZINC000095523322 571088597 /nfs/dbraw/zinc/08/85/97/571088597.db2.gz RHTAGTOUSXZZDQ-QGZVFWFLSA-N 1 2 376.464 3.336 50 0 GGAALO C[C@@H]1CN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)CC[N@@H+]1C ZINC000055167724 1406897632 /nfs/dbraw/zinc/89/76/32/1406897632.db2.gz PWDNHYCAHPISGQ-GFCCVEGCSA-N 1 2 383.370 3.049 50 0 GGAALO C[C@@H]1CN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)CC[N@H+]1C ZINC000055167724 1406897633 /nfs/dbraw/zinc/89/76/33/1406897633.db2.gz PWDNHYCAHPISGQ-GFCCVEGCSA-N 1 2 383.370 3.049 50 0 GGAALO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000055220557 1406906487 /nfs/dbraw/zinc/90/64/87/1406906487.db2.gz CDWAOFDGNBVYJO-HXUWFJFHSA-N 1 2 385.508 3.206 50 0 GGAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000008424895 1398831262 /nfs/dbraw/zinc/83/12/62/1398831262.db2.gz XHXBLNDZNUIVTN-CRAIPNDOSA-N 1 2 378.476 3.023 50 0 GGAALO COc1ccccc1OCC(=O)N1CCN(c2cc(C)c3ccccc3[nH+]2)CC1 ZINC000008990495 1398851552 /nfs/dbraw/zinc/85/15/52/1398851552.db2.gz CTNJOIHMKFCZGX-UHFFFAOYSA-N 1 2 391.471 3.279 50 0 GGAALO O=C1CCCN1CC[C@@H]1CCCC[N@@H+]1Cc1nc(COc2ccccc2)no1 ZINC000011815009 1399013740 /nfs/dbraw/zinc/01/37/40/1399013740.db2.gz TYPASGCAPUUPHO-KRWDZBQOSA-N 1 2 384.480 3.016 50 0 GGAALO O=C1CCCN1CC[C@@H]1CCCC[N@H+]1Cc1nc(COc2ccccc2)no1 ZINC000011815009 1399013741 /nfs/dbraw/zinc/01/37/41/1399013741.db2.gz TYPASGCAPUUPHO-KRWDZBQOSA-N 1 2 384.480 3.016 50 0 GGAALO COc1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2c2nonc2C)cc(OC)c1OC ZINC000012303526 1399037720 /nfs/dbraw/zinc/03/77/20/1399037720.db2.gz XGMBHOKPWOCYMR-HNNXBMFYSA-N 1 2 399.451 3.131 50 0 GGAALO COc1cc(-c2n[nH]cc2C[N@H+]2CCC[C@H]2c2nonc2C)cc(OC)c1OC ZINC000012303526 1399037726 /nfs/dbraw/zinc/03/77/26/1399037726.db2.gz XGMBHOKPWOCYMR-HNNXBMFYSA-N 1 2 399.451 3.131 50 0 GGAALO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](OCc4ccccn4)C3)n2)cc1 ZINC000012448001 1399043145 /nfs/dbraw/zinc/04/31/45/1399043145.db2.gz ILZDEMTXAOWLPO-IBGZPJMESA-N 1 2 380.448 3.321 50 0 GGAALO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](OCc4ccccn4)C3)n2)cc1 ZINC000012448001 1399043148 /nfs/dbraw/zinc/04/31/48/1399043148.db2.gz ILZDEMTXAOWLPO-IBGZPJMESA-N 1 2 380.448 3.321 50 0 GGAALO CC(=O)Nc1nc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2s1 ZINC000013690755 1399081032 /nfs/dbraw/zinc/08/10/32/1399081032.db2.gz KPFNKGOBQHPLDI-UHFFFAOYSA-N 1 2 394.500 3.213 50 0 GGAALO C[N@@H+]1CCN(C(=O)c2coc(COc3ccccc3)n2)[C@@H](c2ccccc2)C1 ZINC000015071676 1399135661 /nfs/dbraw/zinc/13/56/61/1399135661.db2.gz OWXHIIIWXGALRZ-HXUWFJFHSA-N 1 2 377.444 3.383 50 0 GGAALO C[N@H+]1CCN(C(=O)c2coc(COc3ccccc3)n2)[C@@H](c2ccccc2)C1 ZINC000015071676 1399135667 /nfs/dbraw/zinc/13/56/67/1399135667.db2.gz OWXHIIIWXGALRZ-HXUWFJFHSA-N 1 2 377.444 3.383 50 0 GGAALO Cc1cccnc1C[NH+]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000019744188 1399338284 /nfs/dbraw/zinc/33/82/84/1399338284.db2.gz JELXXDJSGOOSPJ-UHFFFAOYSA-N 1 2 383.883 3.411 50 0 GGAALO CCc1ccc(-c2cn3c(C(=O)N4CC[NH+](CCOC)CC4)csc3n2)cc1 ZINC000020211984 1399344419 /nfs/dbraw/zinc/34/44/19/1399344419.db2.gz SNPBUBDUCWXLQT-UHFFFAOYSA-N 1 2 398.532 3.029 50 0 GGAALO COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)Cn4cc[nH+]c4)C3)ccc2c1 ZINC000020542433 1399348612 /nfs/dbraw/zinc/34/86/12/1399348612.db2.gz SXWCRVMIFXNIFG-LJQANCHMSA-N 1 2 377.444 3.166 50 0 GGAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccc(NC(C)=O)cc1)[N@H+](C)CC3)OCO2 ZINC000020759235 1399352617 /nfs/dbraw/zinc/35/26/17/1399352617.db2.gz OKPFIZJXNUETTM-KRWDZBQOSA-N 1 2 396.443 3.184 50 0 biogenic GGAALO COc1c2c(cc3c1[C@H](CC(=O)c1ccc(NC(C)=O)cc1)[N@@H+](C)CC3)OCO2 ZINC000020759235 1399352624 /nfs/dbraw/zinc/35/26/24/1399352624.db2.gz OKPFIZJXNUETTM-KRWDZBQOSA-N 1 2 396.443 3.184 50 0 biogenic GGAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(NC(C)=O)cc1)[N@H+](C)CC3)OCO2 ZINC000020759239 1399353052 /nfs/dbraw/zinc/35/30/52/1399353052.db2.gz OKPFIZJXNUETTM-QGZVFWFLSA-N 1 2 396.443 3.184 50 0 biogenic GGAALO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(NC(C)=O)cc1)[N@@H+](C)CC3)OCO2 ZINC000020759239 1399353057 /nfs/dbraw/zinc/35/30/57/1399353057.db2.gz OKPFIZJXNUETTM-QGZVFWFLSA-N 1 2 396.443 3.184 50 0 biogenic GGAALO O=C(c1cccs1)N1CCC2(CC1)c1ccccc1[C@@H](n1cc[nH+]c1)[C@@H]2O ZINC000020865910 1399355098 /nfs/dbraw/zinc/35/50/98/1399355098.db2.gz AADSDCQAHLGKSU-MOPGFXCFSA-N 1 2 379.485 3.083 50 0 GGAALO CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000022608633 1399482031 /nfs/dbraw/zinc/48/20/31/1399482031.db2.gz DZUZPAMLJFYVFU-OAQYLSRUSA-N 1 2 396.531 3.182 50 0 GGAALO CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000022608629 1399482145 /nfs/dbraw/zinc/48/21/45/1399482145.db2.gz DZUZPAMLJFYVFU-NRFANRHFSA-N 1 2 396.531 3.182 50 0 GGAALO C[NH+]1CCN(C(=O)c2ccc(-c3ccc4c(ccc(O)c4C=O)c3)s2)CC1 ZINC000043202385 1403729899 /nfs/dbraw/zinc/72/98/99/1403729899.db2.gz IVQVBMWPWPTSNO-UHFFFAOYSA-N 1 2 380.469 3.474 50 0 GGAALO O=C(Cc1cccc2ccccc21)NCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000056997450 1407496045 /nfs/dbraw/zinc/49/60/45/1407496045.db2.gz JKZBFYJCZKCADX-UHFFFAOYSA-N 1 2 391.490 3.460 50 0 GGAALO CC(=O)c1cccc(S(=O)(=O)NCC[NH+]2CCC(c3cccs3)CC2)c1 ZINC000077104161 1409893339 /nfs/dbraw/zinc/89/33/39/1409893339.db2.gz ULMVPVPNPOXZSN-UHFFFAOYSA-N 1 2 392.546 3.109 50 0 GGAALO O=C(CCSc1ccc2c(c1)OCCO2)NCc1ccccc1-n1cc[nH+]c1 ZINC000154902161 1423073793 /nfs/dbraw/zinc/07/37/93/1423073793.db2.gz AZEBHWPQJCRIAU-UHFFFAOYSA-N 1 2 395.484 3.442 50 0 GGAALO Cc1cccn2cc(C[N@@H+]3CCCn4nc([C@H](O)c5ccccc5)cc4C3)nc12 ZINC000230523518 1433372956 /nfs/dbraw/zinc/37/29/56/1433372956.db2.gz OOJDIIDGOJVEIZ-JOCHJYFZSA-N 1 2 387.487 3.327 50 0 GGAALO Cc1cccn2cc(C[N@H+]3CCCn4nc([C@H](O)c5ccccc5)cc4C3)nc12 ZINC000230523518 1433372958 /nfs/dbraw/zinc/37/29/58/1433372958.db2.gz OOJDIIDGOJVEIZ-JOCHJYFZSA-N 1 2 387.487 3.327 50 0 GGAALO CCCCc1nc(Cl)c(C[N@@H+]2CCCn3nc([C@H](O)C4CC4)cc3C2)[nH]1 ZINC000230479551 1433373014 /nfs/dbraw/zinc/37/30/14/1433373014.db2.gz ITOBZICPIQDWSV-GOSISDBHSA-N 1 2 377.920 3.452 50 0 GGAALO CCCCc1nc(Cl)c(C[N@H+]2CCCn3nc([C@H](O)C4CC4)cc3C2)[nH]1 ZINC000230479551 1433373016 /nfs/dbraw/zinc/37/30/16/1433373016.db2.gz ITOBZICPIQDWSV-GOSISDBHSA-N 1 2 377.920 3.452 50 0 GGAALO COc1cc(C[NH+]2CCN(Cc3cccc(OC)c3OC)CC2)cc(OC)c1 ZINC000019567954 210266822 /nfs/dbraw/zinc/26/68/22/210266822.db2.gz YTZREVVYYUAASL-UHFFFAOYSA-N 1 2 386.492 3.039 50 0 GGAALO COc1cc(CN2CC[NH+](Cc3cccc(OC)c3OC)CC2)cc(OC)c1 ZINC000019567954 210266827 /nfs/dbraw/zinc/26/68/27/210266827.db2.gz YTZREVVYYUAASL-UHFFFAOYSA-N 1 2 386.492 3.039 50 0 GGAALO COc1ccc(CN2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)c(OC)c1 ZINC000019552393 210261378 /nfs/dbraw/zinc/26/13/78/210261378.db2.gz DZWVZUOYZQNATK-UHFFFAOYSA-N 1 2 386.492 3.039 50 0 GGAALO COc1ccc(C[NH+]2CCN(Cc3cc(OC)cc(OC)c3)CC2)c(OC)c1 ZINC000019552393 210261384 /nfs/dbraw/zinc/26/13/84/210261384.db2.gz DZWVZUOYZQNATK-UHFFFAOYSA-N 1 2 386.492 3.039 50 0 GGAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1c[nH]c2ccc(F)cc21 ZINC000019371373 210246849 /nfs/dbraw/zinc/24/68/49/210246849.db2.gz MAKLBRKMZAHNOK-UHFFFAOYSA-N 1 2 395.434 3.036 50 0 GGAALO CC[C@@H](C)[C@@H](c1[nH]c2ccccc2[nH+]1)n1cc2c(=O)[nH]nc-2c(C(=O)OC)c1 ZINC000409415508 529406224 /nfs/dbraw/zinc/40/62/24/529406224.db2.gz MRYHUCLOERIKIE-DIFFPNOSSA-N 1 2 379.420 3.387 50 0 GGAALO CC[C@@H]1COCCN1C(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2 ZINC000426719775 529411169 /nfs/dbraw/zinc/41/11/69/529411169.db2.gz BQRHCSVZAYAGJT-OAHLLOKOSA-N 1 2 389.521 3.162 50 0 GGAALO CC[C@@H]1COCCN1C(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2 ZINC000426719775 529411172 /nfs/dbraw/zinc/41/11/72/529411172.db2.gz BQRHCSVZAYAGJT-OAHLLOKOSA-N 1 2 389.521 3.162 50 0 GGAALO CC[C@@H](C)[C@H](c1[nH]c2ccccc2[nH+]1)n1cc2c(=O)[nH]nc-2c(C(=O)OC)c1 ZINC000409415509 529425333 /nfs/dbraw/zinc/42/53/33/529425333.db2.gz MRYHUCLOERIKIE-PIGZYNQJSA-N 1 2 379.420 3.387 50 0 GGAALO O=C(NCc1cc(-c2ccccn2)no1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000426493046 231228451 /nfs/dbraw/zinc/22/84/51/231228451.db2.gz BMIAXRVGWKZZSC-INIZCTEOSA-N 1 2 380.452 3.088 50 0 GGAALO Cc1cc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc[nH]4)CC3)cc2)cc(C)[nH+]1 ZINC000426517690 231233848 /nfs/dbraw/zinc/23/38/48/231233848.db2.gz XQUPYKGNDWCGHD-UHFFFAOYSA-N 1 2 388.471 3.292 50 0 GGAALO Cc1nc(N2CCCC2)nc(-c2cccc(C(=O)NCc3[nH]cc[nH+]3)c2)c1C ZINC000426529221 231236101 /nfs/dbraw/zinc/23/61/01/231236101.db2.gz HNWUBIJWNRXPAZ-UHFFFAOYSA-N 1 2 376.464 3.014 50 0 GGAALO Cc1cccn2cc(CNC(=O)N3CCC[C@@H](c4nc(C(C)C)no4)C3)[nH+]c12 ZINC000426465132 231223489 /nfs/dbraw/zinc/22/34/89/231223489.db2.gz IFAJHAHLRGBSPR-OAHLLOKOSA-N 1 2 382.468 3.238 50 0 GGAALO O=C(NCCCn1ncc2ccccc21)N1CC[NH+](Cc2cccs2)CC1 ZINC000426661986 231250536 /nfs/dbraw/zinc/25/05/36/231250536.db2.gz HSKVVONQRIJHIQ-UHFFFAOYSA-N 1 2 383.521 3.015 50 0 GGAALO COc1ccc(-c2ccc(C(=O)NCC[C@@H](C)n3cc[nH+]c3)cc2)cc1CO ZINC000426705573 231254168 /nfs/dbraw/zinc/25/41/68/231254168.db2.gz CTIHQQNHKCUKGC-MRXNPFEDSA-N 1 2 379.460 3.432 50 0 GGAALO CCn1cc[nH+]c1CN(C)C(=O)c1cccc(-c2ccc(C(=O)NC)s2)c1 ZINC000426435370 529567429 /nfs/dbraw/zinc/56/74/29/529567429.db2.gz JOURBRIUOJXHGT-UHFFFAOYSA-N 1 2 382.489 3.263 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N(C)C[C@@H]4CCOC4)csc3C2)nc1 ZINC000426489549 529642492 /nfs/dbraw/zinc/64/24/92/529642492.db2.gz MZZPSGYXZDWGCY-KRWDZBQOSA-N 1 2 399.560 3.372 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N(C)C[C@@H]4CCOC4)csc3C2)nc1 ZINC000426489549 529642494 /nfs/dbraw/zinc/64/24/94/529642494.db2.gz MZZPSGYXZDWGCY-KRWDZBQOSA-N 1 2 399.560 3.372 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCC4CCOCC4)csc3C2)nc1 ZINC000426536284 529642863 /nfs/dbraw/zinc/64/28/63/529642863.db2.gz MQWBZJRIDGOHMQ-UHFFFAOYSA-N 1 2 399.560 3.420 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCC4CCOCC4)csc3C2)nc1 ZINC000426536284 529642865 /nfs/dbraw/zinc/64/28/65/529642865.db2.gz MQWBZJRIDGOHMQ-UHFFFAOYSA-N 1 2 399.560 3.420 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCC4(C)COC4)csc3C2)nc1 ZINC000426490410 529643425 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GGAALO Cn1cc(C[NH+]2CCN(C(=O)c3ccco3)CC2)c(-c2cccc(Cl)c2)n1 ZINC000015068685 210148698 /nfs/dbraw/zinc/14/86/98/210148698.db2.gz MZWACNDYWHXYCN-UHFFFAOYSA-N 1 2 384.867 3.292 50 0 GGAALO COC(=O)[C@@H]1C[C@@H](NC(=O)Nc2ccccc2)C[N@@H+]1CCCc1ccccc1 ZINC000014988827 210140330 /nfs/dbraw/zinc/14/03/30/210140330.db2.gz SKYKULMZRHPLLA-UXHICEINSA-N 1 2 381.476 3.057 50 0 GGAALO COC(=O)[C@@H]1C[C@@H](NC(=O)Nc2ccccc2)C[N@H+]1CCCc1ccccc1 ZINC000014988827 210140340 /nfs/dbraw/zinc/14/03/40/210140340.db2.gz SKYKULMZRHPLLA-UXHICEINSA-N 1 2 381.476 3.057 50 0 GGAALO C[C@H](NC(=O)C1CC1)c1nnc2n1CC[N@H+](C/C(Cl)=C/c1ccccc1)CC2 ZINC000014888192 210128668 /nfs/dbraw/zinc/12/86/68/210128668.db2.gz XAQGDBQFSZBCMZ-LUJRCDHRSA-N 1 2 399.926 3.003 50 0 GGAALO C[C@H](NC(=O)C1CC1)c1nnc2n1CC[N@@H+](C/C(Cl)=C/c1ccccc1)CC2 ZINC000014888192 210128665 /nfs/dbraw/zinc/12/86/65/210128665.db2.gz XAQGDBQFSZBCMZ-LUJRCDHRSA-N 1 2 399.926 3.003 50 0 GGAALO CC(C)N1C[C@H](OCc2ccc(F)cc2)C[N@H+](Cc2ccc(O)cc2)CC1=O 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50 0 GGAALO O=C(Nc1cccc(Br)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000013324995 210056802 /nfs/dbraw/zinc/05/68/02/210056802.db2.gz JJUWYDWNVUQZMS-UHFFFAOYSA-N 1 2 375.270 3.194 50 0 GGAALO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc2nsnc2c1 ZINC000013325117 210056880 /nfs/dbraw/zinc/05/68/80/210056880.db2.gz GVYJWSSVMOWPMZ-UHFFFAOYSA-N 1 2 387.896 3.105 50 0 GGAALO Cc1nc2cc(OCc3cc(C(=O)N(C)Cc4[nH+]ccn4C)no3)ccc2s1 ZINC000012303022 209933348 /nfs/dbraw/zinc/93/33/48/209933348.db2.gz RJTIRVJZYFNMSZ-UHFFFAOYSA-N 1 2 397.460 3.177 50 0 GGAALO CCOC(=O)C1(S(=O)(=O)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000004038412 209459571 /nfs/dbraw/zinc/45/95/71/209459571.db2.gz BWFLVWOFJXJIIY-UHFFFAOYSA-N 1 2 387.501 3.058 50 0 GGAALO CCOC(=O)c1c(N)n(-c2ccc([NH+](C)C)cc2)c2nc3ccccc3nc21 ZINC000002313679 209355943 /nfs/dbraw/zinc/35/59/43/209355943.db2.gz XTWIPEGGHSTFEF-UHFFFAOYSA-N 1 2 375.432 3.399 50 0 GGAALO CCOC(=O)c1c(C)n(-c2ccc([NH+](C)C)cc2)c2ccc(OCC(N)=O)cc21 ZINC000002257574 209352756 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COc1ccc(OC)c(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c1 ZINC000019943005 209236178 /nfs/dbraw/zinc/23/61/78/209236178.db2.gz PBOWCKIYHDYGKX-INIZCTEOSA-N 1 2 399.443 3.243 50 0 biogenic GGAALO COc1ccc(OC)c(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c1 ZINC000019943005 209236183 /nfs/dbraw/zinc/23/61/83/209236183.db2.gz PBOWCKIYHDYGKX-INIZCTEOSA-N 1 2 399.443 3.243 50 0 biogenic GGAALO Cc1cc2oc(=O)cc(C[NH+]3CCN(CCc4ccccn4)CC3)c2cc1C ZINC000020730429 209236027 /nfs/dbraw/zinc/23/60/27/209236027.db2.gz FXQCYCYSUMWYPT-UHFFFAOYSA-N 1 2 377.488 3.165 50 0 GGAALO COc1ccccc1C[NH2+][C@@H]1CNC(=O)c2cc(-c3ccc(Cl)cc3)nn21 ZINC000263616742 209226140 /nfs/dbraw/zinc/22/61/40/209226140.db2.gz KHNYZYIZBXCSIP-IBGZPJMESA-N 1 2 382.851 3.244 50 0 GGAALO COc1cccc(C[NH2+][C@H]2CNC(=O)c3cc(-c4ccc(Cl)cc4)nn32)c1 ZINC000263618589 209225314 /nfs/dbraw/zinc/22/53/14/209225314.db2.gz UMWDJKDFBNRPOI-LJQANCHMSA-N 1 2 382.851 3.244 50 0 GGAALO CCOc1ccccc1C[NH2+][C@@H]1CNC(=O)c2cc(-c3ccc(C)cc3)nn21 ZINC000263616571 209225355 /nfs/dbraw/zinc/22/53/55/209225355.db2.gz JLUPTTGXHWKRPW-NRFANRHFSA-N 1 2 376.460 3.289 50 0 GGAALO O=C(CC1(n2cccc2)CCOCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000263588023 209224531 /nfs/dbraw/zinc/22/45/31/209224531.db2.gz OCJZRQHVNUTNNL-RMKNXTFCSA-N 1 2 393.531 3.242 50 0 GGAALO COC(=O)c1cn(CCCc2[nH+]c3ccccc3n2C(C)C)cc2c(=O)[nH]nc1-2 ZINC000263587769 209224392 /nfs/dbraw/zinc/22/43/92/209224392.db2.gz KZJWBFYBQITFDR-UHFFFAOYSA-N 1 2 393.447 3.026 50 0 GGAALO CSCC[C@H](C(=O)N1CC[NH+](CCOc2ccccc2)CC1)n1cccc1 ZINC000263587880 209224043 /nfs/dbraw/zinc/22/40/43/209224043.db2.gz MHJRKKDDQQKVML-HXUWFJFHSA-N 1 2 387.549 3.006 50 0 GGAALO COc1cc2c(cc1OC)[C@@H](C)[N@@H+]([C@H]1CC(=O)N(c3ccc(C)cc3)C1=O)CC2 ZINC000245246855 209215618 /nfs/dbraw/zinc/21/56/18/209215618.db2.gz PUMVXOHJUNWCMM-BEFAXECRSA-N 1 2 394.471 3.263 50 0 GGAALO COc1cc2c(cc1OC)[C@@H](C)[N@H+]([C@H]1CC(=O)N(c3ccc(C)cc3)C1=O)CC2 ZINC000245246855 209215624 /nfs/dbraw/zinc/21/56/24/209215624.db2.gz 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GGAALO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)NCc1n[nH]c2c1CCCCC2 ZINC000426628726 570503176 /nfs/dbraw/zinc/50/31/76/570503176.db2.gz GWFPYBSSKKTXBW-KRWDZBQOSA-N 1 2 384.528 3.338 50 0 GGAALO Cc1nc(C)c(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)s1 ZINC000008697455 570537628 /nfs/dbraw/zinc/53/76/28/570537628.db2.gz SKFDDNRTCRWQJE-UHFFFAOYSA-N 1 2 381.505 3.420 50 0 GGAALO Cc1cc(C)c(C)c(OCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000022478365 570538247 /nfs/dbraw/zinc/53/82/47/570538247.db2.gz TYSIPFZPVQUTNO-UHFFFAOYSA-N 1 2 396.487 3.064 50 0 GGAALO Cc1ccc(NC2=[NH+][C@@H](C(=O)Nc3ccccc3C(F)(F)F)C=C(O)N2)cc1 ZINC000009192449 570551579 /nfs/dbraw/zinc/55/15/79/570551579.db2.gz FKOCXLHKBRDZRL-OAHLLOKOSA-N 1 2 390.365 3.309 50 0 GGAALO COc1cccc(N=c2sc(C(C)=O)c(C)n2CCC[NH+]2CCOCC2)c1 ZINC000005299033 570551670 /nfs/dbraw/zinc/55/16/70/570551670.db2.gz HJSOWEPZXLCQMZ-MRCUWXFGSA-N 1 2 389.521 3.024 50 0 GGAALO Cc1ccc(NC2=[NH+][C@H](C(=O)Nc3ccccc3C(F)(F)F)C=C(O)N2)cc1 ZINC000009192451 570551676 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50 0 GGAALO O=C(NC[C@@H](c1ccco1)[N@H+]1CCc2ccccc2C1)C(=O)Nc1ccccc1 ZINC000022907465 570564029 /nfs/dbraw/zinc/56/40/29/570564029.db2.gz VJXPMFNFGPKCAO-FQEVSTJZSA-N 1 2 389.455 3.134 50 0 GGAALO CCOc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000036636407 570566951 /nfs/dbraw/zinc/56/69/51/570566951.db2.gz DYMXCDYZVFYOFH-UHFFFAOYSA-N 1 2 394.924 3.245 50 0 GGAALO c1sc2ncn3c(SCC[NH+]4CCOCC4)nnc3c2c1-c1ccccc1 ZINC000036646127 570567670 /nfs/dbraw/zinc/56/76/70/570567670.db2.gz RXOUPDXHCDONHA-UHFFFAOYSA-N 1 2 397.529 3.430 50 0 GGAALO Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c1C ZINC000036708268 570567792 /nfs/dbraw/zinc/56/77/92/570567792.db2.gz TZEFPDOACQFBLP-UHFFFAOYSA-N 1 2 394.523 3.438 50 0 GGAALO Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c1C ZINC000036708268 570567798 /nfs/dbraw/zinc/56/77/98/570567798.db2.gz TZEFPDOACQFBLP-UHFFFAOYSA-N 1 2 394.523 3.438 50 0 GGAALO COc1ccc(CNC(=O)c2cc(Cn3c(C)[nH+]c4ccccc43)on2)cc1 ZINC000011664422 570578586 /nfs/dbraw/zinc/57/85/86/570578586.db2.gz RJGJATGTSCKHNN-UHFFFAOYSA-N 1 2 376.416 3.320 50 0 GGAALO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCN(Cc2ccsc2)[C@H](CCO)C1 ZINC000038149498 570578590 /nfs/dbraw/zinc/57/85/90/570578590.db2.gz YIYYNWNCJZVDNK-LJQANCHMSA-N 1 2 376.570 3.211 50 0 GGAALO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCN(Cc2ccsc2)[C@H](CCO)C1 ZINC000038149498 570578594 /nfs/dbraw/zinc/57/85/94/570578594.db2.gz YIYYNWNCJZVDNK-LJQANCHMSA-N 1 2 376.570 3.211 50 0 GGAALO Cc1ccccc1NC(=O)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528672 570580408 /nfs/dbraw/zinc/58/04/08/570580408.db2.gz WUJWMOWUSOCPCP-UHFFFAOYSA-N 1 2 380.496 3.129 50 0 GGAALO Cc1ccccc1NC(=O)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528672 570580412 /nfs/dbraw/zinc/58/04/12/570580412.db2.gz WUJWMOWUSOCPCP-UHFFFAOYSA-N 1 2 380.496 3.129 50 0 GGAALO Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)n[nH]1 ZINC000012193382 570622382 /nfs/dbraw/zinc/62/23/82/570622382.db2.gz SSMKUZQLJQMLAL-INIZCTEOSA-N 1 2 386.927 3.432 50 0 GGAALO Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)n[nH]1 ZINC000012193382 570622386 /nfs/dbraw/zinc/62/23/86/570622386.db2.gz SSMKUZQLJQMLAL-INIZCTEOSA-N 1 2 386.927 3.432 50 0 GGAALO COCCCn1c(C[N@H+](C)CCC(C)C)cnc1S(=O)(=O)C1CCCC1 ZINC000012300050 570635717 /nfs/dbraw/zinc/63/57/17/570635717.db2.gz XPFRPUKEWOFSKK-UHFFFAOYSA-N 1 2 385.574 3.114 50 0 GGAALO COCCCn1c(C[N@@H+](C)CCC(C)C)cnc1S(=O)(=O)C1CCCC1 ZINC000012300050 570635720 /nfs/dbraw/zinc/63/57/20/570635720.db2.gz XPFRPUKEWOFSKK-UHFFFAOYSA-N 1 2 385.574 3.114 50 0 GGAALO COc1cccc(OCc2nc(C(=O)N(C)Cc3c[nH+]c4ccccn34)co2)c1 ZINC000012302590 570637178 /nfs/dbraw/zinc/63/71/78/570637178.db2.gz WDANIUITJRHQBZ-UHFFFAOYSA-N 1 2 392.415 3.182 50 0 GGAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N(C)CC[C@@H]2CCCCO2)[nH]n1 ZINC000012304197 570637747 /nfs/dbraw/zinc/63/77/47/570637747.db2.gz VRWJUZPHOUYIFE-KRWDZBQOSA-N 1 2 381.480 3.147 50 0 GGAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N(C)CC[C@H]2CCCCO2)[nH]n1 ZINC000012304199 570637785 /nfs/dbraw/zinc/63/77/85/570637785.db2.gz VRWJUZPHOUYIFE-QGZVFWFLSA-N 1 2 381.480 3.147 50 0 GGAALO COc1ccc(OCc2nc(C(=O)NCc3cn4ccc(C)cc4[nH+]3)co2)cc1 ZINC000012314165 570640311 /nfs/dbraw/zinc/64/03/11/570640311.db2.gz JJYBFKOEQGWXCR-UHFFFAOYSA-N 1 2 392.415 3.148 50 0 GGAALO Cn1cc(C[N@@H+]2CCCC[C@H]2c2nccn2C)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012316898 570641851 /nfs/dbraw/zinc/64/18/51/570641851.db2.gz DJADVHLJRZTLTC-SFHVURJKSA-N 1 2 393.491 3.319 50 0 GGAALO Cn1cc(C[N@H+]2CCCC[C@H]2c2nccn2C)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012316898 570641856 /nfs/dbraw/zinc/64/18/56/570641856.db2.gz DJADVHLJRZTLTC-SFHVURJKSA-N 1 2 393.491 3.319 50 0 GGAALO CCOc1ccc2oc(=O)cc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000012412276 570656413 /nfs/dbraw/zinc/65/64/13/570656413.db2.gz DCJZAYUKGHKYJI-UHFFFAOYSA-N 1 2 388.464 3.244 50 0 GGAALO Cc1oc2cc3oc(=O)c(CCC(=O)NCCc4c[nH+]c[nH]4)c(C)c3cc2c1C ZINC000013570446 570657900 /nfs/dbraw/zinc/65/79/00/570657900.db2.gz FFMAMKNKMHLKKH-UHFFFAOYSA-N 1 2 393.443 3.479 50 0 biogenic GGAALO Cc1oc2cc3oc(=O)c(CCC(=O)NCCc4c[nH]c[nH+]4)c(C)c3cc2c1C ZINC000013570446 570657902 /nfs/dbraw/zinc/65/79/02/570657902.db2.gz FFMAMKNKMHLKKH-UHFFFAOYSA-N 1 2 393.443 3.479 50 0 biogenic GGAALO Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N(C)CCOc2ccccc2)[nH]n1 ZINC000012433817 570661192 /nfs/dbraw/zinc/66/11/92/570661192.db2.gz MXFFHAZHRDAPIE-UHFFFAOYSA-N 1 2 389.459 3.267 50 0 GGAALO COCC[C@H]1CCCCN1C(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)n[nH]1 ZINC000012442607 570664867 /nfs/dbraw/zinc/66/48/67/570664867.db2.gz MMVGJRXNDLXVAJ-QGZVFWFLSA-N 1 2 381.480 3.147 50 0 GGAALO COCC[C@@H]1CCCCN1C(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)n[nH]1 ZINC000012442605 570664931 /nfs/dbraw/zinc/66/49/31/570664931.db2.gz MMVGJRXNDLXVAJ-KRWDZBQOSA-N 1 2 381.480 3.147 50 0 GGAALO COCc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)o1 ZINC000012464138 570671203 /nfs/dbraw/zinc/67/12/03/570671203.db2.gz IVGVRZBQQYMAHM-HXUWFJFHSA-N 1 2 380.448 3.215 50 0 GGAALO COCc1ccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)o1 ZINC000012464138 570671205 /nfs/dbraw/zinc/67/12/05/570671205.db2.gz IVGVRZBQQYMAHM-HXUWFJFHSA-N 1 2 380.448 3.215 50 0 GGAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000052537704 570672084 /nfs/dbraw/zinc/67/20/84/570672084.db2.gz SRPOXARBWBFKET-UHFFFAOYSA-N 1 2 379.382 3.346 50 0 GGAALO CC[N@@H+]1CCc2c(sc(NC(=O)Nc3cccc(C(C)=O)c3)c2C(N)=O)C1 ZINC000032579206 570675414 /nfs/dbraw/zinc/67/54/14/570675414.db2.gz VXSFDXJMVIQSFP-UHFFFAOYSA-N 1 2 386.477 3.072 50 0 GGAALO CC[N@H+]1CCc2c(sc(NC(=O)Nc3cccc(C(C)=O)c3)c2C(N)=O)C1 ZINC000032579206 570675417 /nfs/dbraw/zinc/67/54/17/570675417.db2.gz VXSFDXJMVIQSFP-UHFFFAOYSA-N 1 2 386.477 3.072 50 0 GGAALO COc1ccccc1C(=O)N1CCN(c2[nH+]ccn2-c2ccc(C)cc2)CC1 ZINC000012444662 570678854 /nfs/dbraw/zinc/67/88/54/570678854.db2.gz DSYQUBBPWQMJGQ-UHFFFAOYSA-N 1 2 376.460 3.152 50 0 GGAALO O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000006884939 570680152 /nfs/dbraw/zinc/68/01/52/570680152.db2.gz LNFNIZFZHGGWDR-MKXGPGLRSA-N 1 2 394.858 3.175 50 0 GGAALO O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000006884939 570680154 /nfs/dbraw/zinc/68/01/54/570680154.db2.gz LNFNIZFZHGGWDR-MKXGPGLRSA-N 1 2 394.858 3.175 50 0 GGAALO Cc1ccc(F)c(NC(=O)CCC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000055053272 570680643 /nfs/dbraw/zinc/68/06/43/570680643.db2.gz XHWJRRGGDAZAMJ-UHFFFAOYSA-N 1 2 380.423 3.355 50 0 GGAALO COc1cccc(N2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000055069330 570681568 /nfs/dbraw/zinc/68/15/68/570681568.db2.gz IXVXVGXHQIVLNP-UHFFFAOYSA-N 1 2 393.409 3.475 50 0 GGAALO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccon2)CC1)c1ccccc1 ZINC000012580078 570683455 /nfs/dbraw/zinc/68/34/55/570683455.db2.gz BADPPXBLMZONAJ-FQEVSTJZSA-N 1 2 395.463 3.034 50 0 GGAALO COc1cc(-c2nc(C[N@H+](C)[C@H](C)c3ccncn3)c(C)o2)cc2c1OCO2 ZINC000055108926 570683430 /nfs/dbraw/zinc/68/34/30/570683430.db2.gz SJTJRYUUFDNNGM-GFCCVEGCSA-N 1 2 382.420 3.370 50 0 GGAALO COc1cc(-c2nc(C[N@@H+](C)[C@H](C)c3ccncn3)c(C)o2)cc2c1OCO2 ZINC000055108926 570683434 /nfs/dbraw/zinc/68/34/34/570683434.db2.gz SJTJRYUUFDNNGM-GFCCVEGCSA-N 1 2 382.420 3.370 50 0 GGAALO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCN(c4ccccc4)C[C@@H]3C)n2)cc1 ZINC000055224794 570687867 /nfs/dbraw/zinc/68/78/67/570687867.db2.gz HIWHIAHBJBFMGQ-INIZCTEOSA-N 1 2 392.459 3.234 50 0 GGAALO COC(=O)c1ccc(-c2noc(C[N@H+]3CCN(c4ccccc4)C[C@@H]3C)n2)cc1 ZINC000055224794 570687868 /nfs/dbraw/zinc/68/78/68/570687868.db2.gz HIWHIAHBJBFMGQ-INIZCTEOSA-N 1 2 392.459 3.234 50 0 GGAALO Cc1cccc(NC(=O)CC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1C ZINC000055252266 570688798 /nfs/dbraw/zinc/68/87/98/570688798.db2.gz VDFXDZRJCIOOSN-FQEVSTJZSA-N 1 2 376.460 3.386 50 0 GGAALO CCOc1cccc(C[N@H+](CCO)Cc2nccn2-c2ccc(OC)cc2)c1 ZINC000055370485 570693331 /nfs/dbraw/zinc/69/33/31/570693331.db2.gz HSAZBEWAELVDKX-UHFFFAOYSA-N 1 2 381.476 3.274 50 0 GGAALO CCOc1cccc(C[N@@H+](CCO)Cc2nccn2-c2ccc(OC)cc2)c1 ZINC000055370485 570693334 /nfs/dbraw/zinc/69/33/34/570693334.db2.gz HSAZBEWAELVDKX-UHFFFAOYSA-N 1 2 381.476 3.274 50 0 GGAALO O=S(=O)(c1ccc2ccccc2c1)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000055378626 570693348 /nfs/dbraw/zinc/69/33/48/570693348.db2.gz QPDXRWKGXCXUSS-UHFFFAOYSA-N 1 2 392.524 3.314 50 0 GGAALO COc1cccc(CN2CCC[C@@H]2c2nonc2C)c1OCCCn1cc[nH+]c1 ZINC000055385653 570693825 /nfs/dbraw/zinc/69/38/25/570693825.db2.gz ZBLOHVJBRMVQLE-GOSISDBHSA-N 1 2 397.479 3.389 50 0 GGAALO COc1ccc(C)cc1[C@H](C(=O)[O-])[N@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000055404807 570695101 /nfs/dbraw/zinc/69/51/01/570695101.db2.gz QAYBKHOVCGRREA-OAQYLSRUSA-N 1 2 394.475 3.313 50 0 GGAALO COc1ccc(C)cc1[C@H](C(=O)[O-])[N@@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000055404807 570695104 /nfs/dbraw/zinc/69/51/04/570695104.db2.gz QAYBKHOVCGRREA-OAQYLSRUSA-N 1 2 394.475 3.313 50 0 GGAALO Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CC[NH+](C)CC1)CCC2 ZINC000055464505 570695479 /nfs/dbraw/zinc/69/54/79/570695479.db2.gz NNTUJGLWUGDPQO-UHFFFAOYSA-N 1 2 383.517 3.185 50 0 GGAALO CC(C)NC(=O)Cn1cc(C[N@H+](Cc2nccn2C)C2CC2)c2ccccc21 ZINC000055575882 570697634 /nfs/dbraw/zinc/69/76/34/570697634.db2.gz CMBNIXMGFGEOMH-UHFFFAOYSA-N 1 2 379.508 3.064 50 0 GGAALO CC(C)NC(=O)Cn1cc(C[N@@H+](Cc2nccn2C)C2CC2)c2ccccc21 ZINC000055575882 570697636 /nfs/dbraw/zinc/69/76/36/570697636.db2.gz CMBNIXMGFGEOMH-UHFFFAOYSA-N 1 2 379.508 3.064 50 0 GGAALO Cc1cc2[nH]c(CCNC(=O)C(C)(C)NC(=O)c3cccs3)[nH+]c2cc1C ZINC000055576499 570697669 /nfs/dbraw/zinc/69/76/69/570697669.db2.gz MQACZGCRICTOSG-UHFFFAOYSA-N 1 2 384.505 3.109 50 0 GGAALO CCSc1nnc(-c2ccccc2NC(=O)CCn2cc[nH+]c2CC)c(=O)[nH]1 ZINC000055575959 570697919 /nfs/dbraw/zinc/69/79/19/570697919.db2.gz ZNSQMGMXVSWRGR-UHFFFAOYSA-N 1 2 398.492 3.144 50 0 GGAALO COc1cccc2cc(C(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)c(=O)oc21 ZINC000004623920 570701356 /nfs/dbraw/zinc/70/13/56/570701356.db2.gz GYHVVYYWKUAGFW-AWEZNQCLSA-N 1 2 389.411 3.478 50 0 GGAALO Cc1cc(C)n2nc(C(=O)Nc3ccccc3-c3cn4c([nH+]3)CCCC4)nc2n1 ZINC000585150122 570712660 /nfs/dbraw/zinc/71/26/60/570712660.db2.gz BEHUEXNJHMRVOK-UHFFFAOYSA-N 1 2 387.447 3.193 50 0 GGAALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)N1CCc2ccccc21 ZINC000000929825 570726396 /nfs/dbraw/zinc/72/63/96/570726396.db2.gz GWIJCZQJFXZZDZ-UHFFFAOYSA-N 1 2 387.468 3.497 50 0 GGAALO Cc1nc(N2CCN(c3ccc(F)c(Cl)c3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000252552051 570730108 /nfs/dbraw/zinc/73/01/08/570730108.db2.gz UMXVEZVBCBXHQO-OTVXOJSOSA-N 1 2 376.863 3.142 50 0 GGAALO CCOc1cc(S(=O)(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000004632353 570742413 /nfs/dbraw/zinc/74/24/13/570742413.db2.gz QVEBXJTZIXTYEU-CQSZACIVSA-N 1 2 389.452 3.450 50 0 GGAALO CCCn1ncc2c1nc(C)cc2C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000036616030 570751542 /nfs/dbraw/zinc/75/15/42/570751542.db2.gz DKYXANZUTVBXHM-UHFFFAOYSA-N 1 2 383.521 3.169 50 0 GGAALO CCOc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc(OCC)c1OCC ZINC000206828633 570751807 /nfs/dbraw/zinc/75/18/07/570751807.db2.gz LGZWCBAGYHQZHH-KRWDZBQOSA-N 1 2 399.491 3.286 50 0 GGAALO Cc1ccc(=O)n([C@H](C)C(=O)Nc2ccccc2-c2cn3cccc(C)c3[nH+]2)n1 ZINC000206902434 570755068 /nfs/dbraw/zinc/75/50/68/570755068.db2.gz BRMFQNAAERUVOU-MRXNPFEDSA-N 1 2 387.443 3.375 50 0 GGAALO C[N@H+](Cc1nnc2sc(-c3ccc4c(c3)OCCO4)nn12)Cc1ccccc1 ZINC000065363410 570760531 /nfs/dbraw/zinc/76/05/31/570760531.db2.gz FWERRIXDBPASMM-UHFFFAOYSA-N 1 2 393.472 3.256 50 0 GGAALO C[N@@H+](Cc1nnc2sc(-c3ccc4c(c3)OCCO4)nn12)Cc1ccccc1 ZINC000065363410 570760535 /nfs/dbraw/zinc/76/05/35/570760535.db2.gz FWERRIXDBPASMM-UHFFFAOYSA-N 1 2 393.472 3.256 50 0 GGAALO C[N@H+](Cc1nnc2sc(-c3ccc4c(c3)OCO4)nn12)Cc1ccccc1 ZINC000065365840 570761545 /nfs/dbraw/zinc/76/15/45/570761545.db2.gz QDFVWVQFPJAJHH-UHFFFAOYSA-N 1 2 379.445 3.214 50 0 GGAALO C[N@@H+](Cc1nnc2sc(-c3ccc4c(c3)OCO4)nn12)Cc1ccccc1 ZINC000065365840 570761547 /nfs/dbraw/zinc/76/15/47/570761547.db2.gz QDFVWVQFPJAJHH-UHFFFAOYSA-N 1 2 379.445 3.214 50 0 GGAALO Cc1ccc(-c2nc(N(C)Cc3nccn3C)ncc2-c2ccc(N)[nH+]c2)cc1 ZINC000065383185 570763597 /nfs/dbraw/zinc/76/35/97/570763597.db2.gz WBRAOMNSXQLXOZ-UHFFFAOYSA-N 1 2 385.475 3.466 50 0 GGAALO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(C(=O)Nc3cnns3)cc2)n1 ZINC000065424992 570767810 /nfs/dbraw/zinc/76/78/10/570767810.db2.gz CJGCFSVTCYDQCS-OAHLLOKOSA-N 1 2 384.465 3.209 50 0 GGAALO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(C(=O)Nc3cnns3)cc2)n1 ZINC000065424992 570767814 /nfs/dbraw/zinc/76/78/14/570767814.db2.gz CJGCFSVTCYDQCS-OAHLLOKOSA-N 1 2 384.465 3.209 50 0 GGAALO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(C(=O)Nc3cnns3)cc2)n1 ZINC000065424988 570768019 /nfs/dbraw/zinc/76/80/19/570768019.db2.gz CJGCFSVTCYDQCS-HNNXBMFYSA-N 1 2 384.465 3.209 50 0 GGAALO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(C(=O)Nc3cnns3)cc2)n1 ZINC000065424988 570768020 /nfs/dbraw/zinc/76/80/20/570768020.db2.gz CJGCFSVTCYDQCS-HNNXBMFYSA-N 1 2 384.465 3.209 50 0 GGAALO Cc1ccc(-c2nc(NCC[NH+]3CCOCC3)ncc2-c2ccncc2)cc1 ZINC000065529703 570772221 /nfs/dbraw/zinc/77/22/21/570772221.db2.gz UZITVEZFOFIKSE-UHFFFAOYSA-N 1 2 375.476 3.258 50 0 GGAALO COc1ccc(-n2cc[nH+]c2[C@H]2CC(=O)Nc3n[nH]c(-c4ccco4)c32)cc1 ZINC000065529194 570772418 /nfs/dbraw/zinc/77/24/18/570772418.db2.gz MPKGOINDAYNYQA-AWEZNQCLSA-N 1 2 375.388 3.338 50 0 GGAALO CCCC(=O)N(CCC[NH+]1CCOCC1)c1nc2c(s1)c(C)ccc2OC ZINC000022997889 570775242 /nfs/dbraw/zinc/77/52/42/570775242.db2.gz CCLAPMNWTLRXQI-UHFFFAOYSA-N 1 2 391.537 3.469 50 0 GGAALO CC(C)NC(=O)[C@@H](C)[N@@H+]1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067560786 570781665 /nfs/dbraw/zinc/78/16/65/570781665.db2.gz LCHPUZIPEASAHV-CYBMUJFWSA-N 1 2 389.883 3.215 50 0 GGAALO CC(C)NC(=O)[C@@H](C)[N@H+]1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067560786 570781669 /nfs/dbraw/zinc/78/16/69/570781669.db2.gz LCHPUZIPEASAHV-CYBMUJFWSA-N 1 2 389.883 3.215 50 0 GGAALO C[C@H](NC(=O)C[N@@H+]1CCc2[nH]nc(-c3cccc(F)c3)c2C1)c1ccccc1 ZINC000067562429 570782037 /nfs/dbraw/zinc/78/20/37/570782037.db2.gz XLHPHXMXEWNVRN-HNNXBMFYSA-N 1 2 378.451 3.451 50 0 GGAALO C[C@H](NC(=O)C[N@H+]1CCc2[nH]nc(-c3cccc(F)c3)c2C1)c1ccccc1 ZINC000067562429 570782040 /nfs/dbraw/zinc/78/20/40/570782040.db2.gz XLHPHXMXEWNVRN-HNNXBMFYSA-N 1 2 378.451 3.451 50 0 GGAALO O=S(=O)(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000036700224 570795138 /nfs/dbraw/zinc/79/51/38/570795138.db2.gz UPKJFEHGQBSZOG-IBGZPJMESA-N 1 2 394.924 3.082 50 0 GGAALO O=S(=O)(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000036700224 570795143 /nfs/dbraw/zinc/79/51/43/570795143.db2.gz UPKJFEHGQBSZOG-IBGZPJMESA-N 1 2 394.924 3.082 50 0 GGAALO O=S(=O)(NCC1CCN(c2cccc[nH+]2)CC1)c1cccc2ccccc21 ZINC000043955245 570844477 /nfs/dbraw/zinc/84/44/77/570844477.db2.gz NCQKGYXTWFUSCW-UHFFFAOYSA-N 1 2 381.501 3.430 50 0 GGAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1ccc(-c2csc(C(N)=O)c2)cc1 ZINC000534574421 570900684 /nfs/dbraw/zinc/90/06/84/570900684.db2.gz OKZRAYBBBJJEBZ-UHFFFAOYSA-N 1 2 382.489 3.300 50 0 GGAALO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000051317483 570910291 /nfs/dbraw/zinc/91/02/91/570910291.db2.gz TVNYYFKQCFVERF-UHFFFAOYSA-N 1 2 395.894 3.187 50 0 GGAALO CCCN(Cc1[nH+]ccn1C)C(=O)N[C@H](C)c1cnn(-c2ccc(OC)cc2)c1 ZINC000534656711 570915959 /nfs/dbraw/zinc/91/59/59/570915959.db2.gz PJUFGMSJAUKWOB-MRXNPFEDSA-N 1 2 396.495 3.297 50 0 GGAALO O=C1CCCN2C(=N1)SC(=S)N2C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000023153913 570920039 /nfs/dbraw/zinc/92/00/39/570920039.db2.gz OXCYUCWZRMVNCR-UHFFFAOYSA-N 1 2 388.562 3.126 50 0 GGAALO COc1ccc(CN(C)C(=O)NCC2(Cn3cc[nH+]c3)CC2)c2cccnc12 ZINC000534663372 570922402 /nfs/dbraw/zinc/92/24/02/570922402.db2.gz XZDWKWGMECWNBB-UHFFFAOYSA-N 1 2 379.464 3.062 50 0 GGAALO O=C(Nc1ccc2c(c1)OCCO2)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000017079186 570927025 /nfs/dbraw/zinc/92/70/25/570927025.db2.gz INKGSVKZPDCPQG-UHFFFAOYSA-N 1 2 387.867 3.461 50 0 GGAALO CC(C)(CC(=O)Nc1ccccc1)CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000004739935 570953802 /nfs/dbraw/zinc/95/38/02/570953802.db2.gz MWENSRRXPZEFTI-UHFFFAOYSA-N 1 2 380.492 3.175 50 0 GGAALO CC(=O)N(CCCn1cc[nH+]c1)C(C)(C)C(=O)Nc1ccc2c(ccn2C)c1 ZINC000001409474 570985282 /nfs/dbraw/zinc/98/52/82/570985282.db2.gz BHTYYCNWJDYRMD-UHFFFAOYSA-N 1 2 381.480 3.031 50 0 GGAALO Cc1nc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)n(C)n1 ZINC000095517866 571084747 /nfs/dbraw/zinc/08/47/47/571084747.db2.gz UOQPERNBEVJMMH-MRXNPFEDSA-N 1 2 396.520 3.098 50 0 GGAALO Cc1nc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)n(C)n1 ZINC000095517866 571084750 /nfs/dbraw/zinc/08/47/50/571084750.db2.gz UOQPERNBEVJMMH-MRXNPFEDSA-N 1 2 396.520 3.098 50 0 GGAALO O=C1[C@H]2[C@H](C=Cc3ccccc3)[N@H+]3CSC[C@@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000004042247 1398377602 /nfs/dbraw/zinc/37/76/02/1398377602.db2.gz MBXWDSGZEQLRNI-JREKIAODSA-N 1 2 376.481 3.263 50 0 GGAALO O=C1[C@H]2[C@H](C=Cc3ccccc3)[N@@H+]3CSC[C@@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000004042247 1398377613 /nfs/dbraw/zinc/37/76/13/1398377613.db2.gz MBXWDSGZEQLRNI-JREKIAODSA-N 1 2 376.481 3.263 50 0 GGAALO O=C(CSc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1)NCc1ccco1 ZINC000004251302 1398386477 /nfs/dbraw/zinc/38/64/77/1398386477.db2.gz AGDAFTJWQIMWES-UHFFFAOYSA-N 1 2 391.456 3.331 50 0 GGAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000008424902 1398831322 /nfs/dbraw/zinc/83/13/22/1398831322.db2.gz XHXBLNDZNUIVTN-QAPCUYQASA-N 1 2 378.476 3.023 50 0 GGAALO Cc1coc2cc3oc(=O)c(CCC(=O)NCCc4c[nH]c[nH+]4)c(C)c3cc12 ZINC000008764437 1398846279 /nfs/dbraw/zinc/84/62/79/1398846279.db2.gz XNZHOWFNCRMHDR-UHFFFAOYSA-N 1 2 379.416 3.171 50 0 biogenic GGAALO Cc1coc2cc3oc(=O)c(CCC(=O)NCCc4c[nH+]c[nH]4)c(C)c3cc12 ZINC000008764437 1398846280 /nfs/dbraw/zinc/84/62/80/1398846280.db2.gz XNZHOWFNCRMHDR-UHFFFAOYSA-N 1 2 379.416 3.171 50 0 biogenic GGAALO CCCC[N@H+](C)Cc1cnc(S(=O)(=O)C2CCCCCC2)n1CCOC ZINC000011662414 1399003183 /nfs/dbraw/zinc/00/31/83/1399003183.db2.gz DFZPNILBAFVMKY-UHFFFAOYSA-N 1 2 385.574 3.258 50 0 GGAALO CCCC[N@@H+](C)Cc1cnc(S(=O)(=O)C2CCCCCC2)n1CCOC ZINC000011662414 1399003186 /nfs/dbraw/zinc/00/31/86/1399003186.db2.gz DFZPNILBAFVMKY-UHFFFAOYSA-N 1 2 385.574 3.258 50 0 GGAALO O=C(C[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)N1CCCC[C@H]1CO ZINC000012056808 1399026107 /nfs/dbraw/zinc/02/61/07/1399026107.db2.gz JZVALYGZPCTUOZ-AVRDEDQJSA-N 1 2 398.478 3.135 50 0 GGAALO O=C(C[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)N1CCCC[C@H]1CO ZINC000012056808 1399026113 /nfs/dbraw/zinc/02/61/13/1399026113.db2.gz JZVALYGZPCTUOZ-AVRDEDQJSA-N 1 2 398.478 3.135 50 0 GGAALO O[C@H](c1ccncc1)c1ccc2c(c1)C[N@@H+](Cc1cccc3c1OCO3)CCO2 ZINC000012159728 1399030797 /nfs/dbraw/zinc/03/07/97/1399030797.db2.gz YATHZLFQVJDPCH-JOCHJYFZSA-N 1 2 390.439 3.287 50 0 GGAALO O[C@H](c1ccncc1)c1ccc2c(c1)C[N@H+](Cc1cccc3c1OCO3)CCO2 ZINC000012159728 1399030801 /nfs/dbraw/zinc/03/08/01/1399030801.db2.gz YATHZLFQVJDPCH-JOCHJYFZSA-N 1 2 390.439 3.287 50 0 GGAALO COc1cc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]2c2nonc2C)cc(OC)c1OC ZINC000012303525 1399037535 /nfs/dbraw/zinc/03/75/35/1399037535.db2.gz XGMBHOKPWOCYMR-OAHLLOKOSA-N 1 2 399.451 3.131 50 0 GGAALO COc1cc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]2c2nonc2C)cc(OC)c1OC ZINC000012303525 1399037541 /nfs/dbraw/zinc/03/75/41/1399037541.db2.gz XGMBHOKPWOCYMR-OAHLLOKOSA-N 1 2 399.451 3.131 50 0 GGAALO COCCn1c(C[N@H+](C)CCC(C)C)cnc1S(=O)(=O)CC1CCCCC1 ZINC000012302513 1399037616 /nfs/dbraw/zinc/03/76/16/1399037616.db2.gz LPQGRDAEKYWVQI-UHFFFAOYSA-N 1 2 399.601 3.361 50 0 GGAALO COCCn1c(C[N@@H+](C)CCC(C)C)cnc1S(=O)(=O)CC1CCCCC1 ZINC000012302513 1399037621 /nfs/dbraw/zinc/03/76/21/1399037621.db2.gz LPQGRDAEKYWVQI-UHFFFAOYSA-N 1 2 399.601 3.361 50 0 GGAALO COc1ccc2cc(C[NH+]3CCOCC3)c(=O)n(Cc3ccccc3F)c2c1 ZINC000014958382 1399128740 /nfs/dbraw/zinc/12/87/40/1399128740.db2.gz HSZSNCUSQJPUSQ-UHFFFAOYSA-N 1 2 382.435 3.030 50 0 GGAALO CCn1ccnc1C[NH2+]Cc1cccnc1N1CCN(c2ccccc2C)CC1 ZINC000019143407 1399326109 /nfs/dbraw/zinc/32/61/09/1399326109.db2.gz YKZLBNBJTGYKIY-UHFFFAOYSA-N 1 2 390.535 3.223 50 0 GGAALO Cc1c[nH]c(CCNC(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)[nH+]1 ZINC000019744773 1399338312 /nfs/dbraw/zinc/33/83/12/1399338312.db2.gz SVOZRKNCTVITSX-UHFFFAOYSA-N 1 2 394.353 3.276 50 0 GGAALO OCC[C@H]1CN(Cc2ccc3ccccc3n2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000019795169 1399338585 /nfs/dbraw/zinc/33/85/85/1399338585.db2.gz NXRVPIFUPDVHRA-QFIPXVFZSA-N 1 2 379.479 3.443 50 0 GGAALO OCC[C@H]1CN(Cc2ccc3ccccc3n2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000019795169 1399338592 /nfs/dbraw/zinc/33/85/92/1399338592.db2.gz NXRVPIFUPDVHRA-QFIPXVFZSA-N 1 2 379.479 3.443 50 0 GGAALO COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)cc1OC ZINC000020111782 1399343088 /nfs/dbraw/zinc/34/30/88/1399343088.db2.gz NOESGCLMTZTZJR-OAHLLOKOSA-N 1 2 399.443 3.243 50 0 biogenic GGAALO COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)cc1OC ZINC000020111782 1399343095 /nfs/dbraw/zinc/34/30/95/1399343095.db2.gz NOESGCLMTZTZJR-OAHLLOKOSA-N 1 2 399.443 3.243 50 0 biogenic GGAALO Cc1ccc(-n2cc(C[NH+]3CCN(C=O)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000020512928 1399347897 /nfs/dbraw/zinc/34/78/97/1399347897.db2.gz OVZVKIGNUXKOQD-UHFFFAOYSA-N 1 2 378.451 3.261 50 0 GGAALO Cc1nc(N(C)C)nc(-c2cccc(-c3ccn(Cc4c[nH+]cn4C)n3)c2)c1C ZINC000020540639 1399348763 /nfs/dbraw/zinc/34/87/63/1399348763.db2.gz VLIWNIZPBXDCRY-UHFFFAOYSA-N 1 2 387.491 3.472 50 0 GGAALO COc1c2c(cc3c1[C@@H](c1nncn1-c1ccc(C)c(C)c1)[N@H+](C)CC3)OCO2 ZINC000020609777 1399350051 /nfs/dbraw/zinc/35/00/51/1399350051.db2.gz SHPVQSVEQPYVOK-IBGZPJMESA-N 1 2 392.459 3.199 50 0 biogenic GGAALO COc1c2c(cc3c1[C@@H](c1nncn1-c1ccc(C)c(C)c1)[N@@H+](C)CC3)OCO2 ZINC000020609777 1399350055 /nfs/dbraw/zinc/35/00/55/1399350055.db2.gz SHPVQSVEQPYVOK-IBGZPJMESA-N 1 2 392.459 3.199 50 0 biogenic GGAALO Nc1ncc(C[N@@H+]2CCc3ccc(NC(=O)C4(c5ccccc5)CC4)cc3C2)cn1 ZINC000020907618 1399356559 /nfs/dbraw/zinc/35/65/59/1399356559.db2.gz AIAZJRVBUPQDHU-UHFFFAOYSA-N 1 2 399.498 3.287 50 0 GGAALO Nc1ncc(C[N@H+]2CCc3ccc(NC(=O)C4(c5ccccc5)CC4)cc3C2)cn1 ZINC000020907618 1399356563 /nfs/dbraw/zinc/35/65/63/1399356563.db2.gz AIAZJRVBUPQDHU-UHFFFAOYSA-N 1 2 399.498 3.287 50 0 GGAALO Cc1ccc(CN2CC[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)o1 ZINC000022926554 1399517711 /nfs/dbraw/zinc/51/77/11/1399517711.db2.gz NROGLDDDBJZAES-FQEVSTJZSA-N 1 2 398.482 3.186 50 0 GGAALO Cc1ccc(CN2CC[N@@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)o1 ZINC000022926554 1399517718 /nfs/dbraw/zinc/51/77/18/1399517718.db2.gz NROGLDDDBJZAES-FQEVSTJZSA-N 1 2 398.482 3.186 50 0 GGAALO CC(C)Oc1ccc(C(=O)NCC[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000056997405 1407496131 /nfs/dbraw/zinc/49/61/31/1407496131.db2.gz FQDHDMNYJPDLLW-UHFFFAOYSA-N 1 2 385.483 3.165 50 0 GGAALO CC[N@H+](Cc1ccccc1)CC1=NC(=O)N[C@@H](c2cccs2)C1C(=O)OC ZINC000057415879 1407610934 /nfs/dbraw/zinc/61/09/34/1407610934.db2.gz MNVSWDBQGNDCPV-SFHVURJKSA-N 1 2 385.489 3.051 50 0 GGAALO CC[N@@H+](Cc1ccccc1)CC1=NC(=O)N[C@@H](c2cccs2)C1C(=O)OC ZINC000057415879 1407610943 /nfs/dbraw/zinc/61/09/43/1407610943.db2.gz MNVSWDBQGNDCPV-SFHVURJKSA-N 1 2 385.489 3.051 50 0 GGAALO Cc1ccnc(N2CC[NH+](Cc3cnc4c(-c5ccccc5)cnn4c3)CC2)c1 ZINC000067605740 1409184438 /nfs/dbraw/zinc/18/44/38/1409184438.db2.gz IMUPSRSXFSCUEB-UHFFFAOYSA-N 1 2 384.487 3.422 50 0 GGAALO Cc1cc(C)n(-c2ccc(CCC(=O)NCc3cc[nH+]c(N(C)C)c3)cc2)n1 ZINC000225605779 1433367336 /nfs/dbraw/zinc/36/73/36/1433367336.db2.gz DMWOHBLAPBHYAF-UHFFFAOYSA-N 1 2 377.492 3.199 50 0 GGAALO C[C@H](CN(C)C(=O)Nc1ccc(CCc2ccccn2)cc1)[NH+]1CCOCC1 ZINC000096132645 231000129 /nfs/dbraw/zinc/00/01/29/231000129.db2.gz SGOVUFYFJBQBME-GOSISDBHSA-N 1 2 382.508 3.051 50 0 GGAALO Cc1ccc(NC(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)cc1N1CCCC1=O ZINC000426486097 231227221 /nfs/dbraw/zinc/22/72/21/231227221.db2.gz ITSHFXSFZNTURU-KRWDZBQOSA-N 1 2 381.480 3.262 50 0 GGAALO Cn1cc[nH+]c1-c1cccc(C(=O)N2CCC(OCc3ccccn3)CC2)c1 ZINC000426491543 231229177 /nfs/dbraw/zinc/22/91/77/231229177.db2.gz OTTDNTAGJLHHOL-UHFFFAOYSA-N 1 2 376.460 3.304 50 0 GGAALO Cn1cc[nH+]c1-c1ccc(C(=O)N2CCC[C@@H](OCc3ccccn3)C2)cc1 ZINC000426519373 231234165 /nfs/dbraw/zinc/23/41/65/231234165.db2.gz XJPDTIYLRCWIRV-HXUWFJFHSA-N 1 2 376.460 3.304 50 0 GGAALO Cn1cc[nH+]c1-c1ccc(C(=O)N2CCC[C@H](OCc3ccccn3)C2)cc1 ZINC000426519372 231234616 /nfs/dbraw/zinc/23/46/16/231234616.db2.gz XJPDTIYLRCWIRV-FQEVSTJZSA-N 1 2 376.460 3.304 50 0 GGAALO Cc1ccc2cc(-c3ccc(C(=O)NC[C@@H]4C[N@H+](C)CCO4)cc3)ccc2n1 ZINC000426525779 231235566 /nfs/dbraw/zinc/23/55/66/231235566.db2.gz BOBBBTMBMFKJHG-OAQYLSRUSA-N 1 2 375.472 3.271 50 0 GGAALO Cc1ccc2cc(-c3ccc(C(=O)NC[C@@H]4C[N@@H+](C)CCO4)cc3)ccc2n1 ZINC000426525779 231235570 /nfs/dbraw/zinc/23/55/70/231235570.db2.gz BOBBBTMBMFKJHG-OAQYLSRUSA-N 1 2 375.472 3.271 50 0 GGAALO Cc1ccc2cc(-c3ccc(C(=O)NC[C@H]4C[N@H+](C)CCO4)cc3)ccc2n1 ZINC000426525778 231236131 /nfs/dbraw/zinc/23/61/31/231236131.db2.gz BOBBBTMBMFKJHG-NRFANRHFSA-N 1 2 375.472 3.271 50 0 GGAALO Cc1ccc2cc(-c3ccc(C(=O)NC[C@H]4C[N@@H+](C)CCO4)cc3)ccc2n1 ZINC000426525778 231236135 /nfs/dbraw/zinc/23/61/35/231236135.db2.gz BOBBBTMBMFKJHG-NRFANRHFSA-N 1 2 375.472 3.271 50 0 GGAALO COC1CCN(C(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)CC1 ZINC000426541180 231238717 /nfs/dbraw/zinc/23/87/17/231238717.db2.gz AFSSSFPETULZNE-UHFFFAOYSA-N 1 2 389.521 3.162 50 0 GGAALO COC1CCN(C(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)CC1 ZINC000426541180 231238722 /nfs/dbraw/zinc/23/87/22/231238722.db2.gz AFSSSFPETULZNE-UHFFFAOYSA-N 1 2 389.521 3.162 50 0 GGAALO COc1ccc(C2(C(=O)NCc3c[nH+]c4ccccn34)CCCC2)cc1OC ZINC000426556021 231241368 /nfs/dbraw/zinc/24/13/68/231241368.db2.gz PQLFWIVUEOIOEC-UHFFFAOYSA-N 1 2 379.460 3.480 50 0 GGAALO Cn1c[nH+]cc1-c1ccc(C(=O)N2CCC(OCc3cccnc3)CC2)cc1 ZINC000426581001 231244171 /nfs/dbraw/zinc/24/41/71/231244171.db2.gz MGQMINUNTVTXIJ-UHFFFAOYSA-N 1 2 376.460 3.304 50 0 GGAALO Cc1cccnc1C[NH+]1CCN(C(=O)c2ccc(-c3nccs3)cc2)CC1 ZINC000426596453 231245680 /nfs/dbraw/zinc/24/56/80/231245680.db2.gz HGTABJILSPEVPA-UHFFFAOYSA-N 1 2 378.501 3.472 50 0 GGAALO Cc1n[nH]c(C)c1-c1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000426685246 231251260 /nfs/dbraw/zinc/25/12/60/231251260.db2.gz FNBCUXSLYDZAFU-UHFFFAOYSA-N 1 2 375.476 3.047 50 0 GGAALO Cn1cc[nH+]c1-c1ccc(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)cc1 ZINC000426674180 231251567 /nfs/dbraw/zinc/25/15/67/231251567.db2.gz KCQQSHSCRAZDED-FQEVSTJZSA-N 1 2 376.460 3.068 50 0 GGAALO O=C(N1CCC(O)(Cn2cc[nH+]c2)CC1)[C@@]1(c2ccccc2)CC12CCCC2 ZINC000426712812 231255864 /nfs/dbraw/zinc/25/58/64/231255864.db2.gz URAFRDWNUOQXKF-QHCPKHFHSA-N 1 2 379.504 3.139 50 0 GGAALO Cc1csc([C@H](C)NC(=O)N(CCCn2cc[nH+]c2)Cc2cccnc2)n1 ZINC000426739087 231256249 /nfs/dbraw/zinc/25/62/49/231256249.db2.gz QCLBYZSLLMWVJU-INIZCTEOSA-N 1 2 384.509 3.406 50 0 GGAALO CC[C@@H](CNC(=O)c1csc2c1CC[N@H+](Cc1c(C)noc1C)C2)OC ZINC000426414286 529489466 /nfs/dbraw/zinc/48/94/66/529489466.db2.gz HNMFVRQJKNATHM-AWEZNQCLSA-N 1 2 377.510 3.066 50 0 GGAALO CC[C@@H](CNC(=O)c1csc2c1CC[N@@H+](Cc1c(C)noc1C)C2)OC ZINC000426414286 529489467 /nfs/dbraw/zinc/48/94/67/529489467.db2.gz HNMFVRQJKNATHM-AWEZNQCLSA-N 1 2 377.510 3.066 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@](C)(O)C4)csc3C2)nc1 ZINC000426727573 529643214 /nfs/dbraw/zinc/64/32/14/529643214.db2.gz YCJSUQGQRHFYRN-QFIPXVFZSA-N 1 2 399.560 3.251 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@](C)(O)C4)csc3C2)nc1 ZINC000426727573 529643217 /nfs/dbraw/zinc/64/32/17/529643217.db2.gz YCJSUQGQRHFYRN-QFIPXVFZSA-N 1 2 399.560 3.251 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC4(CO)CCCC4)csc3C2)nc1 ZINC000426511684 529643274 /nfs/dbraw/zinc/64/32/74/529643274.db2.gz MYMOLTNRHBOEGP-UHFFFAOYSA-N 1 2 399.560 3.299 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NC4(CO)CCCC4)csc3C2)nc1 ZINC000426511684 529643276 /nfs/dbraw/zinc/64/32/76/529643276.db2.gz MYMOLTNRHBOEGP-UHFFFAOYSA-N 1 2 399.560 3.299 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)N4CCC[C@H](CO)C4)csc3C2)nc1 ZINC000426497150 529643443 /nfs/dbraw/zinc/64/34/43/529643443.db2.gz HLLGOEGBOKDDHB-KRWDZBQOSA-N 1 2 399.560 3.108 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)N4CCC[C@H](CO)C4)csc3C2)nc1 ZINC000426497150 529643445 /nfs/dbraw/zinc/64/34/45/529643445.db2.gz HLLGOEGBOKDDHB-KRWDZBQOSA-N 1 2 399.560 3.108 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCc4cc(C)on4)csc3C2)nc1 ZINC000426488489 529644707 /nfs/dbraw/zinc/64/47/07/529644707.db2.gz YVSNQNZRWTVCBV-UHFFFAOYSA-N 1 2 396.516 3.490 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCc4cc(C)on4)csc3C2)nc1 ZINC000426488489 529644708 /nfs/dbraw/zinc/64/47/08/529644708.db2.gz YVSNQNZRWTVCBV-UHFFFAOYSA-N 1 2 396.516 3.490 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCc4cc(C)no4)csc3C2)nc1 ZINC000426444681 529644738 /nfs/dbraw/zinc/64/47/38/529644738.db2.gz SNDQJPFIWCRRDG-UHFFFAOYSA-N 1 2 396.516 3.490 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCc4cc(C)no4)csc3C2)nc1 ZINC000426444681 529644741 /nfs/dbraw/zinc/64/47/41/529644741.db2.gz SNDQJPFIWCRRDG-UHFFFAOYSA-N 1 2 396.516 3.490 50 0 GGAALO CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCC[C@H]4CCOC4)csc3C2)nc1 ZINC000426389642 529644850 /nfs/dbraw/zinc/64/48/50/529644850.db2.gz LSPVQZFADMYVLP-KRWDZBQOSA-N 1 2 399.560 3.420 50 0 GGAALO CCc1ccc(C[N@H+]2CCc3c(C(=O)NCC[C@H]4CCOC4)csc3C2)nc1 ZINC000426389642 529644851 /nfs/dbraw/zinc/64/48/51/529644851.db2.gz LSPVQZFADMYVLP-KRWDZBQOSA-N 1 2 399.560 3.420 50 0 GGAALO CNc1cc(C)[nH+]c(-c2ccc(C(=O)N3CCC([C@H](C)COC)CC3)cc2)n1 ZINC000426662272 529834710 /nfs/dbraw/zinc/83/47/10/529834710.db2.gz PKKJMBBXMKHNLH-OAHLLOKOSA-N 1 2 382.508 3.050 50 0 GGAALO CN(Cc1c[nH+]c2ccccn12)C(=O)NCCCN1CCCc2ccccc21 ZINC000426662039 530016162 /nfs/dbraw/zinc/01/61/62/530016162.db2.gz CEJBFZCKGKSWBG-UHFFFAOYSA-N 1 2 377.492 3.319 50 0 GGAALO CCOC(=O)c1c2c(sc1NC(=O)C[NH+]1CCCCCC1)C(=O)CCC2 ZINC000002075262 212263213 /nfs/dbraw/zinc/26/32/13/212263213.db2.gz BHDSPWVKFTWDIM-UHFFFAOYSA-N 1 2 378.494 3.258 50 0 GGAALO Clc1nc2c(cnn2-c2ccccc2)c(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000002027998 212261105 /nfs/dbraw/zinc/26/11/05/212261105.db2.gz NSNLBZASJXWQAB-UHFFFAOYSA-N 1 2 391.866 3.191 50 0 GGAALO CCN(CC)c1nc(Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)[nH+]1 ZINC000001228064 212231066 /nfs/dbraw/zinc/23/10/66/212231066.db2.gz MROQDULTSNRLGF-UHFFFAOYSA-N 1 2 396.417 3.317 50 0 GGAALO CCc1cc(C(=O)OC)c(NC(=S)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000001119714 212219196 /nfs/dbraw/zinc/21/91/96/212219196.db2.gz FQTHMKVICVGWIJ-UHFFFAOYSA-N 1 2 390.534 3.011 50 0 GGAALO c1cn(-c2nc(-c3ccccc3)nc(N3CCN(c4ccccc4)CC3)n2)c[nH+]1 ZINC000001079827 212215714 /nfs/dbraw/zinc/21/57/14/212215714.db2.gz KOGKLWVBRDGPOX-UHFFFAOYSA-N 1 2 383.459 3.051 50 0 aggregator GGAALO CCOc1ccccc1C[NH2+][C@@H]1CNC(=O)c2cc(-c3ccc(F)cc3)nn21 ZINC000263616749 212141765 /nfs/dbraw/zinc/14/17/65/212141765.db2.gz KIQIGPUSGYZHPS-FQEVSTJZSA-N 1 2 380.423 3.120 50 0 GGAALO O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)NCC[NH+]1CCOCC1 ZINC000263588198 212141841 /nfs/dbraw/zinc/14/18/41/212141841.db2.gz QIALNVBSFIQLKT-QFIPXVFZSA-N 1 2 377.488 3.069 50 0 GGAALO COc1ccc(C[NH2+][C@@H]2CNC(=O)c3cc(-c4ccc(C)cc4C)nn32)cc1 ZINC000263617595 212141308 /nfs/dbraw/zinc/14/13/08/212141308.db2.gz OQRLZDGUTUPIER-NRFANRHFSA-N 1 2 376.460 3.207 50 0 GGAALO CCCc1cc(N2CCN(C(=S)Nc3ccc(OC)cc3)CC2)nc(C)[nH+]1 ZINC000004708756 220753165 /nfs/dbraw/zinc/75/31/65/220753165.db2.gz LEKLWJVHMBNTRZ-UHFFFAOYSA-N 1 2 385.537 3.265 50 0 GGAALO Cc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000004892186 220785162 /nfs/dbraw/zinc/78/51/62/220785162.db2.gz CDHJILLWEZCGFB-PGMHBOJBSA-N 1 2 388.471 3.169 50 0 GGAALO Cc1cc(=O)oc2cc(NC(=S)N3CCN(c4cccc[nH+]4)CC3)ccc12 ZINC000005041232 220817849 /nfs/dbraw/zinc/81/78/49/220817849.db2.gz CYVYLFOIKJOKDE-UHFFFAOYSA-N 1 2 380.473 3.015 50 0 GGAALO COc1ccc(C(=O)Nc2ccnn2C2CC[NH+](Cc3cc(C)[nH]n3)CC2)cc1 ZINC000011819177 221129080 /nfs/dbraw/zinc/12/90/80/221129080.db2.gz CKEOUXMSMGULAQ-UHFFFAOYSA-N 1 2 394.479 3.013 50 0 GGAALO CC(C)[N@@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@@H]1CCC(=O)N1 ZINC000011661407 221119089 /nfs/dbraw/zinc/11/90/89/221119089.db2.gz FIYFAVONQBPPCQ-HNNXBMFYSA-N 1 2 396.413 3.168 50 0 GGAALO CC(C)[N@H+](Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C[C@@H]1CCC(=O)N1 ZINC000011661407 221119092 /nfs/dbraw/zinc/11/90/92/221119092.db2.gz FIYFAVONQBPPCQ-HNNXBMFYSA-N 1 2 396.413 3.168 50 0 GGAALO CCn1ccnc1C[NH+]1CCC(n2nccc2NC(=O)c2ccccc2C)CC1 ZINC000011663238 221120036 /nfs/dbraw/zinc/12/00/36/221120036.db2.gz FSMVAHOUUJNMQH-UHFFFAOYSA-N 1 2 392.507 3.497 50 0 GGAALO CCn1cc[nH+]c1CNC(=O)c1cc(COc2ccc3sc(C)nc3c2)on1 ZINC000011664821 221120619 /nfs/dbraw/zinc/12/06/19/221120619.db2.gz IKAJBYDRKXHPAA-UHFFFAOYSA-N 1 2 397.460 3.318 50 0 GGAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn(C/C=C/c2ccccc2)nn1 ZINC000011933178 221137433 /nfs/dbraw/zinc/13/74/33/221137433.db2.gz FIXAQISYRZKECG-QPGLYAHGSA-N 1 2 378.480 3.033 50 0 GGAALO Cc1c([C@H](C)NC(=O)c2cnc(C[NH+]3CCCC3)s2)cnn1-c1ccccn1 ZINC000011933604 221137606 /nfs/dbraw/zinc/13/76/06/221137606.db2.gz ZOOAYTOACCZDHJ-AWEZNQCLSA-N 1 2 396.520 3.119 50 0 GGAALO c1cn(CC[C@@H](Nc2nc3nonc3nc2N2CCCC2)c2ccccc2)c[nH+]1 ZINC000011935034 221138957 /nfs/dbraw/zinc/13/89/57/221138957.db2.gz AXQJBMQXGISMQR-MRXNPFEDSA-N 1 2 390.451 3.053 50 0 GGAALO C[C@H](CNC(=O)c1ccccn1)Oc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000012099761 221150333 /nfs/dbraw/zinc/15/03/33/221150333.db2.gz PDUXSRMWFAOYJA-MRXNPFEDSA-N 1 2 396.516 3.367 50 0 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HUEYXASUXHZUQE-INIZCTEOSA-N 1 2 377.897 3.280 50 0 GGAALO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC000513106763 566579965 /nfs/dbraw/zinc/57/99/65/566579965.db2.gz REWWYZOEPOQDOW-UHFFFAOYSA-N 1 2 388.917 3.437 50 0 GGAALO O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC000513106763 566579977 /nfs/dbraw/zinc/57/99/77/566579977.db2.gz REWWYZOEPOQDOW-UHFFFAOYSA-N 1 2 388.917 3.437 50 0 GGAALO COc1ccc(C[N@@H+]2CCN(Cc3cccc(F)c3F)C[C@@H]2CCO)c(F)c1 ZINC000019743619 570213245 /nfs/dbraw/zinc/21/32/45/570213245.db2.gz ZMBWQPJOWCVBRV-KRWDZBQOSA-N 1 2 394.437 3.181 50 0 GGAALO COc1ccc(C[N@H+]2CCN(Cc3cccc(F)c3F)C[C@@H]2CCO)c(F)c1 ZINC000019743619 570213248 /nfs/dbraw/zinc/21/32/48/570213248.db2.gz ZMBWQPJOWCVBRV-KRWDZBQOSA-N 1 2 394.437 3.181 50 0 GGAALO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000019787479 570218516 /nfs/dbraw/zinc/21/85/16/570218516.db2.gz FDWJOSZEWAFSEQ-UHFFFAOYSA-N 1 2 396.512 3.355 50 0 GGAALO Cc1ccc(N2C(=O)C(Cl)=C(N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000019792808 570219419 /nfs/dbraw/zinc/21/94/19/570219419.db2.gz QLNKMPPGZDUPGW-UHFFFAOYSA-N 1 2 395.890 3.136 50 0 GGAALO COc1ccc2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2c1 ZINC000019810025 570221215 /nfs/dbraw/zinc/22/12/15/570221215.db2.gz SGUXYKZSKFLTMI-UHFFFAOYSA-N 1 2 396.512 3.355 50 0 GGAALO CCOc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCCC2)cc1OC ZINC000022625989 570222540 /nfs/dbraw/zinc/22/25/40/570222540.db2.gz DMSCXNVKGYKCBC-INIZCTEOSA-N 1 2 388.493 3.397 50 0 GGAALO CCOC(=O)C[C@H]1COCC[N@@H+]1Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000019838129 570224322 /nfs/dbraw/zinc/22/43/22/570224322.db2.gz WGJMWRJCDZASSX-SFHVURJKSA-N 1 2 379.460 3.384 50 0 GGAALO CCOC(=O)C[C@H]1COCC[N@H+]1Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000019838129 570224323 /nfs/dbraw/zinc/22/43/23/570224323.db2.gz WGJMWRJCDZASSX-SFHVURJKSA-N 1 2 379.460 3.384 50 0 GGAALO OCC[C@@H]1C[N@H+](Cc2cccn2-c2ccccn2)CCN1Cc1ccsc1 ZINC000019840405 570224620 /nfs/dbraw/zinc/22/46/20/570224620.db2.gz PZKWQJHGPRQLOT-LJQANCHMSA-N 1 2 382.533 3.003 50 0 GGAALO OCC[C@@H]1C[N@@H+](Cc2cccn2-c2ccccn2)CCN1Cc1ccsc1 ZINC000019840405 570224626 /nfs/dbraw/zinc/22/46/26/570224626.db2.gz PZKWQJHGPRQLOT-LJQANCHMSA-N 1 2 382.533 3.003 50 0 GGAALO CCOc1cc(C[NH+]2CCN(C(=O)COc3ccc(C)cc3)CC2)ccc1OC ZINC000019841943 570225162 /nfs/dbraw/zinc/22/51/62/570225162.db2.gz UUGLXRSOXMMLNK-UHFFFAOYSA-N 1 2 398.503 3.126 50 0 GGAALO CCn1c2ccccc2c2cc(C[NH+]3CCN(S(=O)(=O)CC)CC3)ccc21 ZINC000019842701 570225364 /nfs/dbraw/zinc/22/53/64/570225364.db2.gz NUGWJFUWGRBLBK-UHFFFAOYSA-N 1 2 385.533 3.282 50 0 GGAALO CCSc1ccccc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019849983 570225592 /nfs/dbraw/zinc/22/55/92/570225592.db2.gz KBSRJCKRTGVLKD-UHFFFAOYSA-N 1 2 384.501 3.485 50 0 GGAALO CN(C)c1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@@H+](C)CC4)cc1 ZINC000019853413 570225798 /nfs/dbraw/zinc/22/57/98/570225798.db2.gz BAUYWVIZSUIWRC-UHFFFAOYSA-N 1 2 381.505 3.185 50 0 GGAALO CN(C)c1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[N@H+](C)CC4)cc1 ZINC000019853413 570225800 /nfs/dbraw/zinc/22/58/00/570225800.db2.gz BAUYWVIZSUIWRC-UHFFFAOYSA-N 1 2 381.505 3.185 50 0 GGAALO O=C(c1cc(-c2ccccc2)on1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019871468 570226691 /nfs/dbraw/zinc/22/66/91/570226691.db2.gz HLDLWLPCKVOGPN-UHFFFAOYSA-N 1 2 391.427 3.028 50 0 GGAALO O=C(Cc1c(F)cccc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019899287 570228344 /nfs/dbraw/zinc/22/83/44/570228344.db2.gz OGJHSDNLKWOMMS-UHFFFAOYSA-N 1 2 390.842 3.095 50 0 GGAALO Cc1ccc(-c2cc(C(=O)N3CC[NH+](CCc4ccncc4)CC3)no2)cc1 ZINC000096305430 570228567 /nfs/dbraw/zinc/22/85/67/570228567.db2.gz MYLQHXJTNYELBY-UHFFFAOYSA-N 1 2 376.460 3.046 50 0 GGAALO COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@H+]2C)c(OC)c1 ZINC000019933913 570231658 /nfs/dbraw/zinc/23/16/58/570231658.db2.gz XLYTXBDSZFRHDM-MRXNPFEDSA-N 1 2 399.443 3.243 50 0 biogenic GGAALO COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)c(OC)c1 ZINC000019933913 570231660 /nfs/dbraw/zinc/23/16/60/570231660.db2.gz XLYTXBDSZFRHDM-MRXNPFEDSA-N 1 2 399.443 3.243 50 0 biogenic GGAALO O=c1[nH]c(=S)n(Cc2ccccc2)c2c1C[N@H+](CCc1ccccc1)CN2 ZINC000019938891 570232377 /nfs/dbraw/zinc/23/23/77/570232377.db2.gz QVPPTCHIZYUGTD-UHFFFAOYSA-N 1 2 378.501 3.382 50 0 GGAALO O=c1[nH]c(=S)n(Cc2ccccc2)c2c1C[N@@H+](CCc1ccccc1)CN2 ZINC000019938891 570232379 /nfs/dbraw/zinc/23/23/79/570232379.db2.gz QVPPTCHIZYUGTD-UHFFFAOYSA-N 1 2 378.501 3.382 50 0 GGAALO Cc1cccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccc(Cl)cc4)CC3)C2=O)c1 ZINC000020025985 570235448 /nfs/dbraw/zinc/23/54/48/570235448.db2.gz GWMVWYCSNCNPMB-FQEVSTJZSA-N 1 2 397.906 3.098 50 0 GGAALO FC(F)(F)c1nnc(N2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)s1 ZINC000097137694 570237408 /nfs/dbraw/zinc/23/74/08/570237408.db2.gz ZBTCPJXRQDHCKU-UHFFFAOYSA-N 1 2 394.426 3.269 50 0 GGAALO O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020137559 570242041 /nfs/dbraw/zinc/24/20/41/570242041.db2.gz MVKQVFWIDXXGJT-UHFFFAOYSA-N 1 2 391.427 3.028 50 0 GGAALO O=C(CCc1n[nH]c2c1CCCC2)NC[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000097402588 570243425 /nfs/dbraw/zinc/24/34/25/570243425.db2.gz HIIDOJHTWJQKBE-NRFANRHFSA-N 1 2 384.499 3.314 50 0 GGAALO CCc1[nH]c2ccc(NC(=O)N3CCc4sc(C(=O)NC)cc4C3)cc2[nH+]1 ZINC000097447082 570243842 /nfs/dbraw/zinc/24/38/42/570243842.db2.gz MOFVIPOHQYUMJT-UHFFFAOYSA-N 1 2 383.477 3.137 50 0 GGAALO COc1ccc2[nH]c(C)c(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000020149964 570244169 /nfs/dbraw/zinc/24/41/69/570244169.db2.gz SCUINYOXSQSCIN-UHFFFAOYSA-N 1 2 377.488 3.485 50 0 GGAALO CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)NCCC[N@@H+]2CCNC(=O)C2)c1 ZINC000097572199 570246719 /nfs/dbraw/zinc/24/67/19/570246719.db2.gz XRQPNRYZNNZELE-UHFFFAOYSA-N 1 2 388.556 3.225 50 0 GGAALO CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)NCCC[N@H+]2CCNC(=O)C2)c1 ZINC000097572199 570246722 /nfs/dbraw/zinc/24/67/22/570246722.db2.gz XRQPNRYZNNZELE-UHFFFAOYSA-N 1 2 388.556 3.225 50 0 GGAALO O=C(NC[C@@H](c1ccccc1F)[NH+]1CCCC1)c1ccccc1-c1nnc[nH]1 ZINC000097568839 570246744 /nfs/dbraw/zinc/24/67/44/570246744.db2.gz QSIDBWWSGMIIMA-IBGZPJMESA-N 1 2 379.439 3.178 50 0 GGAALO COC(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)ccc1Cl ZINC000020362827 570253087 /nfs/dbraw/zinc/25/30/87/570253087.db2.gz POAORSNLBDZKEN-UHFFFAOYSA-N 1 2 388.851 3.211 50 0 GGAALO O=c1c2ccccc2[nH]c(=S)n1CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020153995 570254804 /nfs/dbraw/zinc/25/48/04/570254804.db2.gz FSDOALAIWUQISQ-UHFFFAOYSA-N 1 2 394.544 3.267 50 0 GGAALO COc1ccccc1N1CC[NH+](CCNC(=O)Nc2cccc(C)c2C)CC1 ZINC000059660684 570255015 /nfs/dbraw/zinc/25/50/15/570255015.db2.gz PZMVHWBTAAZMTQ-UHFFFAOYSA-N 1 2 382.508 3.256 50 0 GGAALO CCOc1ccccc1CN1CC[N@H+](Cc2cccc(C(C)=O)c2)C[C@H]1CCO ZINC000104438867 570258765 /nfs/dbraw/zinc/25/87/65/570258765.db2.gz SIPZTGCMVYJFSR-HSZRJFAPSA-N 1 2 396.531 3.357 50 0 GGAALO CCOc1ccccc1CN1CC[N@@H+](Cc2cccc(C(C)=O)c2)C[C@H]1CCO ZINC000104438867 570258767 /nfs/dbraw/zinc/25/87/67/570258767.db2.gz SIPZTGCMVYJFSR-HSZRJFAPSA-N 1 2 396.531 3.357 50 0 GGAALO CCOc1ccccc1C[N@@H+]1CCN(Cc2cccc(C(C)=O)c2)C[C@H]1CCO ZINC000104438867 570258769 /nfs/dbraw/zinc/25/87/69/570258769.db2.gz SIPZTGCMVYJFSR-HSZRJFAPSA-N 1 2 396.531 3.357 50 0 GGAALO CCOc1ccccc1C[N@H+]1CCN(Cc2cccc(C(C)=O)c2)C[C@H]1CCO ZINC000104438867 570258772 /nfs/dbraw/zinc/25/87/72/570258772.db2.gz SIPZTGCMVYJFSR-HSZRJFAPSA-N 1 2 396.531 3.357 50 0 GGAALO O=C(c1ccccc1C(F)(F)F)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000049031304 570261220 /nfs/dbraw/zinc/26/12/20/570261220.db2.gz YSJLEGIHBZAZNF-OAHLLOKOSA-N 1 2 384.423 3.258 50 0 GGAALO O=C(Nc1ccc2c(c1)CCC2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020493947 570263771 /nfs/dbraw/zinc/26/37/71/570263771.db2.gz NLJVCCQXZZCAAW-UHFFFAOYSA-N 1 2 379.460 3.254 50 0 GGAALO Cc1cccc(N2CCN(C(=O)c3ccc(C[NH+]4CCOCC4)cc3)CC2)c1C ZINC000020513112 570265084 /nfs/dbraw/zinc/26/50/84/570265084.db2.gz BECDUZQHEJYPQM-UHFFFAOYSA-N 1 2 393.531 3.098 50 0 GGAALO Cc1cc2cccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2o1 ZINC000020540261 570266738 /nfs/dbraw/zinc/26/67/38/570266738.db2.gz FXJABEDBQLOBRO-UHFFFAOYSA-N 1 2 378.428 3.428 50 0 GGAALO OCC[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CCN1Cc1ccsc1 ZINC000020541790 570267014 /nfs/dbraw/zinc/26/70/14/570267014.db2.gz OYYPVWCUDOOLMK-OAQYLSRUSA-N 1 2 382.533 3.003 50 0 GGAALO OCC[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CCN1Cc1ccsc1 ZINC000020541790 570267016 /nfs/dbraw/zinc/26/70/16/570267016.db2.gz OYYPVWCUDOOLMK-OAQYLSRUSA-N 1 2 382.533 3.003 50 0 GGAALO FC(F)(F)Oc1ccccc1C[NH+]1CC(c2nc(-c3cnccn3)no2)C1 ZINC000049485550 570268243 /nfs/dbraw/zinc/26/82/43/570268243.db2.gz RVKKFWPJBDIORZ-UHFFFAOYSA-N 1 2 377.326 3.025 50 0 GGAALO Cc1c(C)n(CCc2ccccc2)c2ncnc(NCC[NH+]3CCOCC3)c12 ZINC000020590036 570269170 /nfs/dbraw/zinc/26/91/70/570269170.db2.gz NPTADRNHYXMGMZ-UHFFFAOYSA-N 1 2 379.508 3.035 50 0 GGAALO CC(C)Cn1c(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cnc1S(C)(=O)=O ZINC000020599421 570269561 /nfs/dbraw/zinc/26/95/61/570269561.db2.gz WVIFRNKACSGFLY-MRXNPFEDSA-N 1 2 379.501 3.071 50 0 GGAALO CC(C)Cn1c(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)cnc1S(C)(=O)=O ZINC000020599421 570269562 /nfs/dbraw/zinc/26/95/62/570269562.db2.gz WVIFRNKACSGFLY-MRXNPFEDSA-N 1 2 379.501 3.071 50 0 GGAALO COC(=O)C1CC[NH+](Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)CC1 ZINC000020600038 570269636 /nfs/dbraw/zinc/26/96/36/570269636.db2.gz GNRGGRHYJYWMHN-UHFFFAOYSA-N 1 2 392.839 3.417 50 0 GGAALO COc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1N1CCCC1=O ZINC000049505499 570270355 /nfs/dbraw/zinc/27/03/55/570270355.db2.gz DYGGSDSJRXMZPI-UHFFFAOYSA-N 1 2 390.443 3.319 50 0 GGAALO Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CC[NH+](C)CC4)c3n2)cc1 ZINC000020601956 570270475 /nfs/dbraw/zinc/27/04/75/570270475.db2.gz MWOVZVSLMMYSHP-UHFFFAOYSA-N 1 2 385.418 3.030 50 0 GGAALO C[NH+]1CCN(C(=S)SCC(=O)NC2c3ccccc3-c3ccccc32)CC1 ZINC000043214992 570271358 /nfs/dbraw/zinc/27/13/58/570271358.db2.gz XVWHHHXMNWGJHX-UHFFFAOYSA-N 1 2 397.569 3.138 50 0 GGAALO O=C(C[NH+]1CCSCC1)N1N=C(c2cccs2)C[C@@H]1c1ccc(O)cc1 ZINC000045067868 570271734 /nfs/dbraw/zinc/27/17/34/570271734.db2.gz GHQRJSQQPJJJHN-QGZVFWFLSA-N 1 2 387.530 3.180 50 0 GGAALO CCOC(=O)C(C=Nc1ccc(NC2=[NH+]C[C@H](C)S2)cc1)C(=O)OCC ZINC000100582276 570273550 /nfs/dbraw/zinc/27/35/50/570273550.db2.gz IBDZMXGKNQLYAW-LBPRGKRZSA-N 1 2 377.466 3.012 50 0 GGAALO COc1ccc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c(OC)c1OC ZINC000020781893 570280393 /nfs/dbraw/zinc/28/03/93/570280393.db2.gz LUJULFDWWZUPKL-UHFFFAOYSA-N 1 2 383.448 3.176 50 0 GGAALO COc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)n(C)n2)cc1 ZINC000035276901 570280565 /nfs/dbraw/zinc/28/05/65/570280565.db2.gz KSSKBWVPGDSRFX-UHFFFAOYSA-N 1 2 390.487 3.054 50 0 GGAALO CCn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CC[N@@H+](C)C3 ZINC000020813945 570281685 /nfs/dbraw/zinc/28/16/85/570281685.db2.gz IIICXVINTTYMIX-UHFFFAOYSA-N 1 2 399.541 3.441 50 0 GGAALO CCn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CC[N@H+](C)C3 ZINC000020813945 570281686 /nfs/dbraw/zinc/28/16/86/570281686.db2.gz IIICXVINTTYMIX-UHFFFAOYSA-N 1 2 399.541 3.441 50 0 GGAALO Cn1ccnc1C[NH+]1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000020866920 570282685 /nfs/dbraw/zinc/28/26/85/570282685.db2.gz JRWKNFWKNQSPMG-UHFFFAOYSA-N 1 2 382.508 3.090 50 0 GGAALO Cc1cc(C)n(-c2ccc(NC(=O)C3CC[NH+](Cc4cc(C)[nH]n4)CC3)cc2)n1 ZINC000020914988 570284617 /nfs/dbraw/zinc/28/46/17/570284617.db2.gz VBWURORYIZUEGK-UHFFFAOYSA-N 1 2 392.507 3.371 50 0 GGAALO Cc1cccc(-n2cc(C[NH+]3CCN(CCO)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000020916726 570284640 /nfs/dbraw/zinc/28/46/40/570284640.db2.gz GEVJCAPGIMVQHB-UHFFFAOYSA-N 1 2 394.494 3.097 50 0 GGAALO Cc1nc([C@@H](C)[NH2+]Cc2c(C(=O)N3CCCC3)nc3ccccn32)c(C)s1 ZINC000020917189 570284981 /nfs/dbraw/zinc/28/49/81/570284981.db2.gz OIOUHUYEIAKWFC-CYBMUJFWSA-N 1 2 383.521 3.494 50 0 GGAALO O=C1C[N@H+](Cc2ccoc2)C[C@H](OCc2ccccn2)CN1Cc1ccccc1 ZINC000020995915 570286212 /nfs/dbraw/zinc/28/62/12/570286212.db2.gz BMKPDRFRNYWASD-QFIPXVFZSA-N 1 2 391.471 3.104 50 0 GGAALO O=C1C[N@@H+](Cc2ccoc2)C[C@H](OCc2ccccn2)CN1Cc1ccccc1 ZINC000020995915 570286215 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ZINC000038528330 570579812 /nfs/dbraw/zinc/57/98/12/570579812.db2.gz NNCYEJCXWBDUSH-UHFFFAOYSA-N 1 2 380.496 3.048 50 0 GGAALO O=C(Cc1ccc(Cl)cc1)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528451 570580361 /nfs/dbraw/zinc/58/03/61/570580361.db2.gz WLMKBAXBARPPFE-UHFFFAOYSA-N 1 2 399.926 3.012 50 0 GGAALO O=C(Cc1ccc(Cl)cc1)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528451 570580364 /nfs/dbraw/zinc/58/03/64/570580364.db2.gz WLMKBAXBARPPFE-UHFFFAOYSA-N 1 2 399.926 3.012 50 0 GGAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c(C)c1 ZINC000038528674 570580435 /nfs/dbraw/zinc/58/04/35/570580435.db2.gz CDMSUNYZLOWHQV-UHFFFAOYSA-N 1 2 394.523 3.438 50 0 GGAALO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c(C)c1 ZINC000038528674 570580439 /nfs/dbraw/zinc/58/04/39/570580439.db2.gz CDMSUNYZLOWHQV-UHFFFAOYSA-N 1 2 394.523 3.438 50 0 GGAALO O=C(CCC1CCCCC1)N1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000038528505 570580491 /nfs/dbraw/zinc/58/04/91/570580491.db2.gz TXPBHPJFFKXKRI-UHFFFAOYSA-N 1 2 385.556 3.476 50 0 GGAALO O=C(CCC1CCCCC1)N1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000038528505 570580495 /nfs/dbraw/zinc/58/04/95/570580495.db2.gz TXPBHPJFFKXKRI-UHFFFAOYSA-N 1 2 385.556 3.476 50 0 GGAALO COc1cccc(C[N@@H+]2CCN(Cc3cccc4ncccc34)C[C@@H]2CCO)c1 ZINC000039437448 570591346 /nfs/dbraw/zinc/59/13/46/570591346.db2.gz IJOIIDVGCWBTMP-NRFANRHFSA-N 1 2 391.515 3.312 50 0 GGAALO COc1cccc(C[N@H+]2CCN(Cc3cccc4ncccc34)C[C@@H]2CCO)c1 ZINC000039437448 570591350 /nfs/dbraw/zinc/59/13/50/570591350.db2.gz IJOIIDVGCWBTMP-NRFANRHFSA-N 1 2 391.515 3.312 50 0 GGAALO Cc1ccc2occ(CN3CC[N@H+](Cc4ccsc4)[C@H](CCO)C3)c(=O)c2c1 ZINC000039442939 570591429 /nfs/dbraw/zinc/59/14/29/570591429.db2.gz BVEHGDUKGVECLJ-LJQANCHMSA-N 1 2 398.528 3.232 50 0 GGAALO Cc1ccc2occ(CN3CC[N@@H+](Cc4ccsc4)[C@H](CCO)C3)c(=O)c2c1 ZINC000039442939 570591431 /nfs/dbraw/zinc/59/14/31/570591431.db2.gz BVEHGDUKGVECLJ-LJQANCHMSA-N 1 2 398.528 3.232 50 0 GGAALO Cc1ccc2occ(C[N@@H+]3CCN(Cc4ccsc4)[C@H](CCO)C3)c(=O)c2c1 ZINC000039442939 570591433 /nfs/dbraw/zinc/59/14/33/570591433.db2.gz BVEHGDUKGVECLJ-LJQANCHMSA-N 1 2 398.528 3.232 50 0 GGAALO Cc1ccc2occ(C[N@H+]3CCN(Cc4ccsc4)[C@H](CCO)C3)c(=O)c2c1 ZINC000039442939 570591435 /nfs/dbraw/zinc/59/14/35/570591435.db2.gz BVEHGDUKGVECLJ-LJQANCHMSA-N 1 2 398.528 3.232 50 0 GGAALO Cc1c(-c2ccc(Cl)cc2)nn2c1nc(C)cc2NCC[NH+]1CCOCC1 ZINC000040217002 570596529 /nfs/dbraw/zinc/59/65/29/570596529.db2.gz RUTPZZJRTQQHNL-UHFFFAOYSA-N 1 2 385.899 3.411 50 0 GGAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000043727071 570629689 /nfs/dbraw/zinc/62/96/89/570629689.db2.gz GXCSIUNHINIJHW-WCIQWLHISA-N 1 2 392.842 3.444 50 0 GGAALO CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000043727071 570629690 /nfs/dbraw/zinc/62/96/90/570629690.db2.gz GXCSIUNHINIJHW-WCIQWLHISA-N 1 2 392.842 3.444 50 0 GGAALO Cc1cccc2[nH+]c(CNC(=O)c3cn(Cc4cccc5ccccc54)nn3)cn21 ZINC000012317682 570641666 /nfs/dbraw/zinc/64/16/66/570641666.db2.gz ITAVIMBLRPBBDX-UHFFFAOYSA-N 1 2 396.454 3.366 50 0 GGAALO O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000047581148 570654253 /nfs/dbraw/zinc/65/42/53/570654253.db2.gz VKKSQCNIWDDTPH-FQEVSTJZSA-N 1 2 385.464 3.187 50 0 GGAALO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC(Oc2nc3ccccc3s2)C1 ZINC000206657206 570660813 /nfs/dbraw/zinc/66/08/13/570660813.db2.gz BQZNYDOKTPPUTC-UHFFFAOYSA-N 1 2 390.468 3.445 50 0 GGAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)NCc2ccco2)c(C)c1 ZINC000004341754 570676452 /nfs/dbraw/zinc/67/64/52/570676452.db2.gz AFZDKIFYTAYARH-UHFFFAOYSA-N 1 2 393.472 3.434 50 0 GGAALO C[NH+]1CCN(C(=O)c2c3c(sc2NC(=O)c2ccccc2)CCCC3)CC1 ZINC000054214386 570676708 /nfs/dbraw/zinc/67/67/08/570676708.db2.gz UOLVWYNTXOKMTQ-UHFFFAOYSA-N 1 2 383.517 3.267 50 0 GGAALO COc1cc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c(OC)cc1Cl ZINC000055069974 570681332 /nfs/dbraw/zinc/68/13/32/570681332.db2.gz PNFIAEMIKHREIR-UHFFFAOYSA-N 1 2 389.883 3.118 50 0 GGAALO Cc1ccc(NC(=O)NCC[NH+]2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1 ZINC000055087913 570682045 /nfs/dbraw/zinc/68/20/45/570682045.db2.gz NHJBAPXWMLJWCN-UHFFFAOYSA-N 1 2 395.507 3.275 50 0 GGAALO CCOc1ccccc1-c1nc(C[NH+]2CCN(c3cnccn3)CC2)c(C)o1 ZINC000055270012 570689406 /nfs/dbraw/zinc/68/94/06/570689406.db2.gz BQGVLTMCWVFPSZ-UHFFFAOYSA-N 1 2 379.464 3.161 50 0 GGAALO Cc1ccc2[nH]c(CCC(=O)NCc3cccc(C(=O)N(C)C)c3)[nH+]c2c1C ZINC000244787938 570696806 /nfs/dbraw/zinc/69/68/06/570696806.db2.gz QGPIADMCICDMSO-UHFFFAOYSA-N 1 2 378.476 3.131 50 0 GGAALO CCc1nnc(NC(=O)[C@H](C)[N@H+](C)Cc2cnn(-c3ccccc3C)c2)s1 ZINC000244884281 570698362 /nfs/dbraw/zinc/69/83/62/570698362.db2.gz YIYKSRNXGCQHKL-AWEZNQCLSA-N 1 2 384.509 3.054 50 0 GGAALO CCc1nnc(NC(=O)[C@H](C)[N@@H+](C)Cc2cnn(-c3ccccc3C)c2)s1 ZINC000244884281 570698365 /nfs/dbraw/zinc/69/83/65/570698365.db2.gz YIYKSRNXGCQHKL-AWEZNQCLSA-N 1 2 384.509 3.054 50 0 GGAALO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccncc4)CC3)no2)cc1C ZINC000032623564 570708023 /nfs/dbraw/zinc/70/80/23/570708023.db2.gz ACPOGDMTUPPSIT-UHFFFAOYSA-N 1 2 376.460 3.311 50 0 GGAALO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000206732875 570739560 /nfs/dbraw/zinc/73/95/60/570739560.db2.gz SBUQXPFSYFBWPV-UHFFFAOYSA-N 1 2 379.386 3.414 50 0 GGAALO Cc1ccc(=O)n([C@@H](C)C(=O)Nc2ccccc2-c2cn3cccc(C)c3[nH+]2)n1 ZINC000206902477 570755621 /nfs/dbraw/zinc/75/56/21/570755621.db2.gz BRMFQNAAERUVOU-INIZCTEOSA-N 1 2 387.443 3.375 50 0 GGAALO Cc1ccc2nc(C)c(C)c(C(=O)N3CCC(O)(Cn4cc[nH+]c4)CC3)c2c1 ZINC000065393555 570764793 /nfs/dbraw/zinc/76/47/93/570764793.db2.gz CJSNRVOFJKNYRY-UHFFFAOYSA-N 1 2 378.476 3.024 50 0 GGAALO COC(=O)C[C@@H](c1oc(C[N@@H+]2CCc3ccccc3C2)cc(=O)c1O)C(C)C ZINC000524731139 570766039 /nfs/dbraw/zinc/76/60/39/570766039.db2.gz LHNDFWMSRQVIIJ-GOSISDBHSA-N 1 2 385.460 3.206 50 0 biogenic GGAALO COC(=O)C[C@@H](c1oc(C[N@H+]2CCc3ccccc3C2)cc(=O)c1O)C(C)C ZINC000524731139 570766044 /nfs/dbraw/zinc/76/60/44/570766044.db2.gz LHNDFWMSRQVIIJ-GOSISDBHSA-N 1 2 385.460 3.206 50 0 biogenic GGAALO O=C(c1ccco1)N(CCC[NH+]1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022997451 570775718 /nfs/dbraw/zinc/77/57/18/570775718.db2.gz AKRPRRKXQQDALT-UHFFFAOYSA-N 1 2 389.452 3.398 50 0 GGAALO CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000006403657 570775754 /nfs/dbraw/zinc/77/57/54/570775754.db2.gz IOFWFQVFLRTZSK-UHFFFAOYSA-N 1 2 389.546 3.399 50 0 GGAALO CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000006403657 570775757 /nfs/dbraw/zinc/77/57/57/570775757.db2.gz IOFWFQVFLRTZSK-UHFFFAOYSA-N 1 2 389.546 3.399 50 0 GGAALO COc1ccc(OC)c(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3C)CC2)c1 ZINC000022056050 570778806 /nfs/dbraw/zinc/77/88/06/570778806.db2.gz NNYFLBIGYQFVNV-SFHVURJKSA-N 1 2 397.519 3.157 50 0 GGAALO Cc1ccccc1N1CCN(c2[nH+]cccc2CNC(=O)NC(C)(C)C)CC1 ZINC000067586983 570782168 /nfs/dbraw/zinc/78/21/68/570782168.db2.gz STFRKGMZNOPEAN-UHFFFAOYSA-N 1 2 381.524 3.314 50 0 GGAALO Cc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)s1 ZINC000036700418 570795845 /nfs/dbraw/zinc/79/58/45/570795845.db2.gz ZURIQPNRKMFBOF-GOSISDBHSA-N 1 2 394.562 3.189 50 0 GGAALO Cc1ccc(S(=O)(=O)NCCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)s1 ZINC000036700418 570795849 /nfs/dbraw/zinc/79/58/49/570795849.db2.gz ZURIQPNRKMFBOF-GOSISDBHSA-N 1 2 394.562 3.189 50 0 GGAALO Cn1cccc1-c1noc(C2CC[NH+](Cc3noc(-c4ccco4)n3)CC2)n1 ZINC000583649834 570803627 /nfs/dbraw/zinc/80/36/27/570803627.db2.gz XYIRZOJGWYNFQT-UHFFFAOYSA-N 1 2 380.408 3.098 50 0 GGAALO CC(C)c1[nH]c2ccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)cc2[nH+]1 ZINC000101413409 570822293 /nfs/dbraw/zinc/82/22/93/570822293.db2.gz LJRAQNRLHXLESE-KRWDZBQOSA-N 1 2 391.431 3.415 50 0 biogenic GGAALO NC(=O)c1noc(C[N@@H+]2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)n1 ZINC000072145547 570870860 /nfs/dbraw/zinc/87/08/60/570870860.db2.gz ORWXVRONDLMQEW-LBPRGKRZSA-N 1 2 382.386 3.032 50 0 GGAALO NC(=O)c1noc(C[N@H+]2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)n1 ZINC000072145547 570870864 /nfs/dbraw/zinc/87/08/64/570870864.db2.gz ORWXVRONDLMQEW-LBPRGKRZSA-N 1 2 382.386 3.032 50 0 GGAALO Cc1nc(C2CCN(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)CC2)cc(=O)[nH]1 ZINC000299755792 570891888 /nfs/dbraw/zinc/89/18/88/570891888.db2.gz CZXSKIHSTDYMFW-UHFFFAOYSA-N 1 2 378.436 3.088 50 0 GGAALO CCN(Cc1[nH+]ccn1C)C(=O)c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1 ZINC000299758977 570892315 /nfs/dbraw/zinc/89/23/15/570892315.db2.gz MDAVHJORVZNLNZ-UHFFFAOYSA-N 1 2 377.370 3.491 50 0 GGAALO CCN(Cc1[nH+]ccn1C)C(=O)c1cccc(-c2cc(C(F)(F)F)n[nH]2)c1 ZINC000299758977 570892317 /nfs/dbraw/zinc/89/23/17/570892317.db2.gz MDAVHJORVZNLNZ-UHFFFAOYSA-N 1 2 377.370 3.491 50 0 GGAALO CCSc1nc2ccc(NC(=O)NCc3c[nH+]cn3CCOC)cc2o1 ZINC000299761428 570892645 /nfs/dbraw/zinc/89/26/45/570892645.db2.gz LNAVVGVAZPSNGS-UHFFFAOYSA-N 1 2 375.454 3.104 50 0 GGAALO CCC(=O)NCc1cc2n(n1)CC[N@H+](Cc1ccc3cc(OC)ccc3c1)C2 ZINC000299765094 570892941 /nfs/dbraw/zinc/89/29/41/570892941.db2.gz VHIVAZDLHKRSAH-UHFFFAOYSA-N 1 2 378.476 3.087 50 0 GGAALO CCC(=O)NCc1cc2n(n1)CC[N@@H+](Cc1ccc3cc(OC)ccc3c1)C2 ZINC000299765094 570892942 /nfs/dbraw/zinc/89/29/42/570892942.db2.gz VHIVAZDLHKRSAH-UHFFFAOYSA-N 1 2 378.476 3.087 50 0 GGAALO CCc1[nH+]c2cc(N)cc(C(=O)N3CCc4sccc4C3)c2n1CCCOC ZINC000299763222 570892976 /nfs/dbraw/zinc/89/29/76/570892976.db2.gz XXPMJGUUFDWBGP-UHFFFAOYSA-N 1 2 398.532 3.477 50 0 GGAALO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)c1C ZINC000299781487 570895273 /nfs/dbraw/zinc/89/52/73/570895273.db2.gz LBTIMHDBDHYMOJ-UHFFFAOYSA-N 1 2 380.452 3.464 50 0 GGAALO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000299795473 570896875 /nfs/dbraw/zinc/89/68/75/570896875.db2.gz MQKSVGYVFPLBNF-UHFFFAOYSA-N 1 2 375.860 3.353 50 0 GGAALO Cc1c[nH]c(CNC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)[nH+]1 ZINC000299795882 570897210 /nfs/dbraw/zinc/89/72/10/570897210.db2.gz NDEFQRXVLGMWPI-UHFFFAOYSA-N 1 2 382.508 3.184 50 0 GGAALO CC(C)[C@@H](NC(=O)c1ccc(-c2csc(C(N)=O)c2)cc1)c1[nH+]ccn1C ZINC000534582873 570903484 /nfs/dbraw/zinc/90/34/84/570903484.db2.gz VAINDPODPGSUGN-QGZVFWFLSA-N 1 2 382.489 3.375 50 0 GGAALO COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000023105754 570904345 /nfs/dbraw/zinc/90/43/45/570904345.db2.gz YOFWMNTXRKKXJR-IBGZPJMESA-N 1 2 388.895 3.460 50 0 GGAALO CC(C)Cn1c[nH+]cc1CNC(=O)N(Cc1ccsc1)C[C@@H]1CCCO1 ZINC000534590138 570906108 /nfs/dbraw/zinc/90/61/08/570906108.db2.gz MMZNQOZEACGQNH-SFHVURJKSA-N 1 2 376.526 3.491 50 0 GGAALO O=C(c1ccc(-c2ccc(C[NH+]3CCOCC3)cn2)cc1)N1CCC(F)CC1 ZINC000534631832 570910486 /nfs/dbraw/zinc/91/04/86/570910486.db2.gz RERIFNKUOAHWPN-UHFFFAOYSA-N 1 2 383.467 3.155 50 0 GGAALO C[N@@H+]1CCO[C@@H](CNC(=O)c2oc3ccccc3c2COc2ccccc2)C1 ZINC000194615634 570956571 /nfs/dbraw/zinc/95/65/71/570956571.db2.gz ILASOISGBZVMET-KRWDZBQOSA-N 1 2 380.444 3.072 50 0 GGAALO C[N@H+]1CCO[C@@H](CNC(=O)c2oc3ccccc3c2COc2ccccc2)C1 ZINC000194615634 570956574 /nfs/dbraw/zinc/95/65/74/570956574.db2.gz ILASOISGBZVMET-KRWDZBQOSA-N 1 2 380.444 3.072 50 0 GGAALO OCC[C@H]1CN(Cc2ccc(F)cc2F)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000019222093 570963197 /nfs/dbraw/zinc/96/31/97/570963197.db2.gz FLENFTYGNOQAIL-KRWDZBQOSA-N 1 2 382.401 3.312 50 0 GGAALO OCC[C@H]1CN(Cc2ccc(F)cc2F)CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000019222093 570963199 /nfs/dbraw/zinc/96/31/99/570963199.db2.gz FLENFTYGNOQAIL-KRWDZBQOSA-N 1 2 382.401 3.312 50 0 GGAALO OCC[C@H]1C[N@H+](Cc2ccc(F)cc2F)CCN1Cc1ccc(F)c(F)c1 ZINC000019222093 570963200 /nfs/dbraw/zinc/96/32/00/570963200.db2.gz FLENFTYGNOQAIL-KRWDZBQOSA-N 1 2 382.401 3.312 50 0 GGAALO OCC[C@H]1C[N@@H+](Cc2ccc(F)cc2F)CCN1Cc1ccc(F)c(F)c1 ZINC000019222093 570963202 /nfs/dbraw/zinc/96/32/02/570963202.db2.gz FLENFTYGNOQAIL-KRWDZBQOSA-N 1 2 382.401 3.312 50 0 GGAALO OCC[C@@H]1CN(Cc2ccc(F)cc2F)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000019222090 570963227 /nfs/dbraw/zinc/96/32/27/570963227.db2.gz FLENFTYGNOQAIL-QGZVFWFLSA-N 1 2 382.401 3.312 50 0 GGAALO OCC[C@@H]1CN(Cc2ccc(F)cc2F)CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000019222090 570963230 /nfs/dbraw/zinc/96/32/30/570963230.db2.gz FLENFTYGNOQAIL-QGZVFWFLSA-N 1 2 382.401 3.312 50 0 GGAALO OCC[C@@H]1C[N@H+](Cc2ccc(F)cc2F)CCN1Cc1ccc(F)c(F)c1 ZINC000019222090 570963232 /nfs/dbraw/zinc/96/32/32/570963232.db2.gz FLENFTYGNOQAIL-QGZVFWFLSA-N 1 2 382.401 3.312 50 0 GGAALO OCC[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)CCN1Cc1ccc(F)c(F)c1 ZINC000019222090 570963235 /nfs/dbraw/zinc/96/32/35/570963235.db2.gz FLENFTYGNOQAIL-QGZVFWFLSA-N 1 2 382.401 3.312 50 0 GGAALO Fc1cccc(Cn2[nH]cc3nc(-c4cccc(C[NH+]5CCOCC5)c4)nc2-3)c1 ZINC000019221590 570963472 /nfs/dbraw/zinc/96/34/72/570963472.db2.gz QDWOHEZERCJSGJ-UHFFFAOYSA-N 1 2 391.450 3.446 50 0 GGAALO Cn1cc[nH+]c1-c1cccc(-c2ccn(CC(=O)Nc3nc4ccccc4[nH]3)n2)c1 ZINC000019334472 570975959 /nfs/dbraw/zinc/97/59/59/570975959.db2.gz RCXQTKWDTZMXNN-UHFFFAOYSA-N 1 2 397.442 3.466 50 0 GGAALO O=C(Cc1csc(COc2ccccc2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000033326204 570979811 /nfs/dbraw/zinc/97/98/11/570979811.db2.gz SMQBIUOYYMUZTF-UHFFFAOYSA-N 1 2 394.500 3.008 50 0 GGAALO C[C@@H](C(=O)c1c[nH]c2ccccc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019372421 570981039 /nfs/dbraw/zinc/98/10/39/570981039.db2.gz KQSCYWQNKJJEQJ-INIZCTEOSA-N 1 2 391.471 3.286 50 0 GGAALO C[C@@H](C(=O)c1c[nH]c2ccccc21)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019372421 570981044 /nfs/dbraw/zinc/98/10/44/570981044.db2.gz KQSCYWQNKJJEQJ-INIZCTEOSA-N 1 2 391.471 3.286 50 0 GGAALO CCc1[nH+]c2cc(NC(=O)[C@@H]3CC(=O)N(Cc4cccnc4)C3)ccc2n1CC ZINC000019523203 570995966 /nfs/dbraw/zinc/99/59/66/570995966.db2.gz NCGDEGQLVUWTNQ-MRXNPFEDSA-N 1 2 391.475 3.001 50 0 GGAALO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000019533297 570999785 /nfs/dbraw/zinc/99/97/85/570999785.db2.gz UHFMJJMTVUXCPO-UHFFFAOYSA-N 1 2 384.476 3.061 50 0 GGAALO COc1ccc(CN2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)c(OC)c1 ZINC000019552396 571001320 /nfs/dbraw/zinc/00/13/20/571001320.db2.gz WHZYGZQASJYOIS-UHFFFAOYSA-N 1 2 386.492 3.039 50 0 GGAALO COc1ccc(C[NH+]2CCN(Cc3ccc(OC)c(OC)c3)CC2)c(OC)c1 ZINC000019552396 571001323 /nfs/dbraw/zinc/00/13/23/571001323.db2.gz WHZYGZQASJYOIS-UHFFFAOYSA-N 1 2 386.492 3.039 50 0 GGAALO CCc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)ccn1 ZINC000091289349 571002292 /nfs/dbraw/zinc/00/22/92/571002292.db2.gz DTSNJVIODUPKDD-LJQANCHMSA-N 1 2 375.476 3.304 50 0 GGAALO COc1ccc(CN2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)cc1OC ZINC000019561076 571005368 /nfs/dbraw/zinc/00/53/68/571005368.db2.gz WORWWPBPWSJPPQ-UHFFFAOYSA-N 1 2 386.492 3.039 50 0 GGAALO O=C(CCc1ccncc1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000091390734 571006130 /nfs/dbraw/zinc/00/61/30/571006130.db2.gz KLJQEORYXNAQQE-LJQANCHMSA-N 1 2 375.476 3.060 50 0 GGAALO Cc1cccn2c(CNC(=O)[C@@H]3CCC(=O)N(CC4CCCCC4)C3)c[nH+]c12 ZINC000091452110 571008829 /nfs/dbraw/zinc/00/88/29/571008829.db2.gz ODEVINMESFITED-GOSISDBHSA-N 1 2 382.508 3.078 50 0 GGAALO Cn1cc[nH+]c1CN1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000091494488 571011480 /nfs/dbraw/zinc/01/14/80/571011480.db2.gz WLRKORZLERUFKL-UHFFFAOYSA-N 1 2 384.867 3.292 50 0 GGAALO O=C(NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1)[C@H]1CCC(=O)N(C2CC2)C1 ZINC000091526607 571012641 /nfs/dbraw/zinc/01/26/41/571012641.db2.gz ZCEWIUUGXXXVRX-JCYILVPMSA-N 1 2 394.519 3.354 50 0 GGAALO COc1ccccc1CN1CC[NH+](Cc2cc(=O)c3cc(C)ccc3[nH]2)CC1 ZINC000091535839 571013313 /nfs/dbraw/zinc/01/33/13/571013313.db2.gz DDCXKRDQTGKXSE-UHFFFAOYSA-N 1 2 377.488 3.163 50 0 GGAALO COc1ccccc1C[NH+]1CCN(Cc2cc(=O)c3cc(C)ccc3[nH]2)CC1 ZINC000091535839 571013314 /nfs/dbraw/zinc/01/33/14/571013314.db2.gz DDCXKRDQTGKXSE-UHFFFAOYSA-N 1 2 377.488 3.163 50 0 GGAALO O=C1CC[C@@]2(CCCN(c3nc4ccccc4o3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000091536619 571013336 /nfs/dbraw/zinc/01/33/36/571013336.db2.gz OHHLSDBCNDRQCH-NRFANRHFSA-N 1 2 379.464 3.003 50 0 GGAALO O=C1CC[C@@]2(CCCN(c3nc4ccccc4o3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000091536619 571013337 /nfs/dbraw/zinc/01/33/37/571013337.db2.gz OHHLSDBCNDRQCH-NRFANRHFSA-N 1 2 379.464 3.003 50 0 GGAALO COc1ccc(-c2n[nH]cc2CNC(=O)[C@@H](c2ccccc2F)[NH+](C)C)cc1 ZINC000091636063 571020293 /nfs/dbraw/zinc/02/02/93/571020293.db2.gz PPCRYRMTLSRVNQ-HXUWFJFHSA-N 1 2 382.439 3.144 50 0 GGAALO O=C(COc1ccccc1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091644367 571021388 /nfs/dbraw/zinc/02/13/88/571021388.db2.gz DZTKXLNCIABQQZ-UHFFFAOYSA-N 1 2 376.460 3.111 50 0 GGAALO O=C(c1cc2ccccc2oc1=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019619993 571021535 /nfs/dbraw/zinc/02/15/35/571021535.db2.gz VMSRWAKEXRSOAR-UHFFFAOYSA-N 1 2 382.847 3.404 50 0 GGAALO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3ccc(SC)cc3)CC2)c1 ZINC000019608284 571021691 /nfs/dbraw/zinc/02/16/91/571021691.db2.gz CRYYJOZHVYTPDJ-UHFFFAOYSA-N 1 2 386.517 3.384 50 0 GGAALO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000091656252 571022984 /nfs/dbraw/zinc/02/29/84/571022984.db2.gz MWIRNYOHEPZQIJ-UHFFFAOYSA-N 1 2 376.504 3.375 50 0 GGAALO COc1nc2c(cc1C(=O)N[C@H](CCn1cc[nH+]c1)c1ccccc1)CCC2 ZINC000091663271 571024405 /nfs/dbraw/zinc/02/44/05/571024405.db2.gz NHWHQQKHPMMQRP-HXUWFJFHSA-N 1 2 376.460 3.337 50 0 GGAALO CCc1nc(C[NH+]2CCC3(CC(=O)N(C/C=C/c4ccccc4)C3)CC2)no1 ZINC000091707075 571026787 /nfs/dbraw/zinc/02/67/87/571026787.db2.gz WCRZROBJQZHIPR-RMKNXTFCSA-N 1 2 380.492 3.160 50 0 GGAALO O=C(c1cccn1C1CC1)N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000091737189 571028507 /nfs/dbraw/zinc/02/85/07/571028507.db2.gz WWUXIWOVWKLGIU-UHFFFAOYSA-N 1 2 375.476 3.483 50 0 GGAALO O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091779922 571030199 /nfs/dbraw/zinc/03/01/99/571030199.db2.gz UEJFMRWGFMXPIN-UHFFFAOYSA-N 1 2 387.443 3.116 50 0 GGAALO O=C(NCc1cc2n(n1)CCC[N@@H+](Cc1ccc(F)c(Cl)c1)C2)C1CCC1 ZINC000091781860 571030690 /nfs/dbraw/zinc/03/06/90/571030690.db2.gz QWIGTUZHQYSALU-UHFFFAOYSA-N 1 2 390.890 3.498 50 0 GGAALO O=C(NCc1cc2n(n1)CCC[N@H+](Cc1ccc(F)c(Cl)c1)C2)C1CCC1 ZINC000091781860 571030692 /nfs/dbraw/zinc/03/06/92/571030692.db2.gz QWIGTUZHQYSALU-UHFFFAOYSA-N 1 2 390.890 3.498 50 0 GGAALO COCCCN1CC2(CCC1=O)CC[NH+](Cc1nc3ccc(C)c(C)c3[nH]1)CC2 ZINC000091808996 571031732 /nfs/dbraw/zinc/03/17/32/571031732.db2.gz RJVXJNPANYNFOS-UHFFFAOYSA-N 1 2 398.551 3.421 50 0 GGAALO COCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3cccc(C)c3n2C)C1 ZINC000091950872 571037464 /nfs/dbraw/zinc/03/74/64/571037464.db2.gz AYNQHNLJGXOBAH-SFHVURJKSA-N 1 2 380.492 3.349 50 0 GGAALO O=C(NCc1cc2n(n1)CCC[N@@H+](Cc1ccc(F)cc1Cl)C2)C1CCC1 ZINC000092028049 571041594 /nfs/dbraw/zinc/04/15/94/571041594.db2.gz CCLCEULVADZTSE-UHFFFAOYSA-N 1 2 390.890 3.498 50 0 GGAALO O=C(NCc1cc2n(n1)CCC[N@H+](Cc1ccc(F)cc1Cl)C2)C1CCC1 ZINC000092028049 571041597 /nfs/dbraw/zinc/04/15/97/571041597.db2.gz CCLCEULVADZTSE-UHFFFAOYSA-N 1 2 390.890 3.498 50 0 GGAALO COc1ccc2nc(CCN(C)C(=O)[C@@H](c3ccc(C)cc3)[NH+](C)C)[nH]c2c1 ZINC000095365753 571058002 /nfs/dbraw/zinc/05/80/02/571058002.db2.gz BPMKNCBGNWFTOG-OAQYLSRUSA-N 1 2 380.492 3.184 50 0 GGAALO O=C(COc1ccccc1)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000095370782 571060839 /nfs/dbraw/zinc/06/08/39/571060839.db2.gz IGFJQEADGDNPNE-IBGZPJMESA-N 1 2 376.460 3.111 50 0 GGAALO COc1cc2nc(NC[C@H]3CCOc4ccccc4C3)[nH+]c(N)c2cc1OC ZINC000095373210 571062459 /nfs/dbraw/zinc/06/24/59/571062459.db2.gz LRONQMGKWNRRJT-ZDUSSCGKSA-N 1 2 380.448 3.283 50 0 GGAALO Cc1noc(C)c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2snnc2C(C)C)C1 ZINC000095374928 571063567 /nfs/dbraw/zinc/06/35/67/571063567.db2.gz NBLADQJUCUQPQU-JKSUJKDBSA-N 1 2 375.542 3.363 50 0 GGAALO Cc1noc(C)c1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2snnc2C(C)C)C1 ZINC000095374928 571063569 /nfs/dbraw/zinc/06/35/69/571063569.db2.gz NBLADQJUCUQPQU-JKSUJKDBSA-N 1 2 375.542 3.363 50 0 GGAALO Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000095382153 571068290 /nfs/dbraw/zinc/06/82/90/571068290.db2.gz YYXDDOPPPRUSOR-AWEZNQCLSA-N 1 2 379.493 3.054 50 0 GGAALO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCC(c2[nH+]ccn2C)CC1 ZINC000095509598 571081047 /nfs/dbraw/zinc/08/10/47/571081047.db2.gz IBQOEHZPZPLHHZ-UHFFFAOYSA-N 1 2 381.455 3.382 50 0 GGAALO Cc1nnc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)o1 ZINC000095523421 571089325 /nfs/dbraw/zinc/08/93/25/571089325.db2.gz SOVSSXYMGUAJFN-UHFFFAOYSA-N 1 2 383.477 3.352 50 0 GGAALO COC(=O)[C@]1(C)C[C@H](C(=O)NC2CCCC2)[C@H](c2ccc(Cl)cc2)[N@@H+]1C ZINC000055088163 1406882987 /nfs/dbraw/zinc/88/29/87/1406882987.db2.gz MFOLWGWQAPVHDU-ZWOKBUDYSA-N 1 2 378.900 3.323 50 0 GGAALO COC(=O)[C@]1(C)C[C@H](C(=O)NC2CCCC2)[C@H](c2ccc(Cl)cc2)[N@H+]1C ZINC000055088163 1406882989 /nfs/dbraw/zinc/88/29/89/1406882989.db2.gz MFOLWGWQAPVHDU-ZWOKBUDYSA-N 1 2 378.900 3.323 50 0 GGAALO COc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccc3c(c2)OCO3)cc1 ZINC000002367811 1398308733 /nfs/dbraw/zinc/30/87/33/1398308733.db2.gz CYZBPICWBFWLLL-UHFFFAOYSA-N 1 2 375.388 3.165 50 0 aggregator GGAALO Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCCn3cc[nH+]c3)c(C)c21 ZINC000003985184 1398376173 /nfs/dbraw/zinc/37/61/73/1398376173.db2.gz BEFOQQHLPKJBIA-UHFFFAOYSA-N 1 2 393.443 3.410 50 0 biogenic GGAALO O=C1[C@H]2[C@@H](C=Cc3ccccc3)[N@H+]3CSC[C@@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000004042246 1398377990 /nfs/dbraw/zinc/37/79/90/1398377990.db2.gz MBXWDSGZEQLRNI-UPVUGGITSA-N 1 2 376.481 3.263 50 0 GGAALO O=C1[C@H]2[C@@H](C=Cc3ccccc3)[N@@H+]3CSC[C@@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000004042246 1398377996 /nfs/dbraw/zinc/37/79/96/1398377996.db2.gz MBXWDSGZEQLRNI-UPVUGGITSA-N 1 2 376.481 3.263 50 0 GGAALO COC(=O)COc1nc2cc(Cl)ccc2cc1C[NH2+]Cc1csc(C)n1 ZINC000012218523 1399034045 /nfs/dbraw/zinc/03/40/45/1399034045.db2.gz ZGRGCPXPBKGAHW-UHFFFAOYSA-N 1 2 391.880 3.495 50 0 GGAALO Cc1ccccc1Cn1cc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)nn1 ZINC000012445715 1399043115 /nfs/dbraw/zinc/04/31/15/1399043115.db2.gz WIQOIBLTSDJVDB-HXUWFJFHSA-N 1 2 386.459 3.003 50 0 GGAALO Cc1cc(-c2cc(=O)[nH]c(-c3ccc(C[NH+]4CCN(C)CC4)cc3)n2)c(C)o1 ZINC000019762593 1399337843 /nfs/dbraw/zinc/33/78/43/1399337843.db2.gz GCGWZGLEBIMJME-UHFFFAOYSA-N 1 2 378.476 3.061 50 0 GGAALO S=C(SCc1cn2cccnc2n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019879565 1399339510 /nfs/dbraw/zinc/33/95/10/1399339510.db2.gz RWUGIMQAWDOEIX-UHFFFAOYSA-N 1 2 383.546 3.065 50 0 GGAALO COc1cccc(OC)c1C(=O)C[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000020111664 1399342581 /nfs/dbraw/zinc/34/25/81/1399342581.db2.gz BVPOUZYMAXTGAC-AWEZNQCLSA-N 1 2 399.443 3.243 50 0 biogenic GGAALO COc1cccc(OC)c1C(=O)C[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000020111664 1399342585 /nfs/dbraw/zinc/34/25/85/1399342585.db2.gz BVPOUZYMAXTGAC-AWEZNQCLSA-N 1 2 399.443 3.243 50 0 biogenic GGAALO CCn1cc[nH+]c1Cn1ccc(-c2cccc(-c3ccc(-n4cnnc4)nc3)c2)n1 ZINC000020201932 1399343791 /nfs/dbraw/zinc/34/37/91/1399343791.db2.gz KOSNSDDRRAGOEJ-UHFFFAOYSA-N 1 2 396.458 3.458 50 0 GGAALO c1sc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)nc1-c1ccccc1 ZINC000020210669 1399344575 /nfs/dbraw/zinc/34/45/75/1399344575.db2.gz JMOPOCMBKLLVGE-QGZVFWFLSA-N 1 2 381.505 3.311 50 0 GGAALO c1sc(C[N@@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)nc1-c1ccccc1 ZINC000020210669 1399344580 /nfs/dbraw/zinc/34/45/80/1399344580.db2.gz JMOPOCMBKLLVGE-QGZVFWFLSA-N 1 2 381.505 3.311 50 0 GGAALO CCOC(=O)N1CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020450665 1399346559 /nfs/dbraw/zinc/34/65/59/1399346559.db2.gz UXKKVIFEJNWJAC-SFHVURJKSA-N 1 2 399.457 3.444 50 0 GGAALO COc1ccc(-n2nnnc2[C@@H]2c3ccccc3CC(C)(C)[N@H+]2C)cc1OC ZINC000020463180 1399347414 /nfs/dbraw/zinc/34/74/14/1399347414.db2.gz CKQJKLIAPSTVPO-IBGZPJMESA-N 1 2 379.464 3.035 50 0 GGAALO COc1ccc(-n2nnnc2[C@@H]2c3ccccc3CC(C)(C)[N@@H+]2C)cc1OC ZINC000020463180 1399347421 /nfs/dbraw/zinc/34/74/21/1399347421.db2.gz CKQJKLIAPSTVPO-IBGZPJMESA-N 1 2 379.464 3.035 50 0 GGAALO Cc1c(=O)[nH]c(-c2cccc(C[NH+]3CC(n4cccn4)C3)c2)nc1C(F)(F)F ZINC000048368605 1405167274 /nfs/dbraw/zinc/16/72/74/1405167274.db2.gz LSPQDSDWMBHYNC-UHFFFAOYSA-N 1 2 389.381 3.430 50 0 GGAALO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1Cl ZINC000056997242 1407495122 /nfs/dbraw/zinc/49/51/22/1407495122.db2.gz RGXZXYBSHLYYEC-UHFFFAOYSA-N 1 2 379.838 3.170 50 0 GGAALO Cn1c2ccccc2nc1NC(=O)c1cccc(C[N@H+](C)Cc2ccno2)c1 ZINC000067692280 1409207564 /nfs/dbraw/zinc/20/75/64/1409207564.db2.gz CAOYIWCSIQYWGE-UHFFFAOYSA-N 1 2 375.432 3.446 50 0 GGAALO Cn1c2ccccc2nc1NC(=O)c1cccc(C[N@@H+](C)Cc2ccno2)c1 ZINC000067692280 1409207566 /nfs/dbraw/zinc/20/75/66/1409207566.db2.gz CAOYIWCSIQYWGE-UHFFFAOYSA-N 1 2 375.432 3.446 50 0 GGAALO COCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3c(Cl)cncc3Cl)CC[C@H]21 ZINC000072447336 1409849831 /nfs/dbraw/zinc/84/98/31/1409849831.db2.gz OSCYTPOMHZADIU-SUMWQHHRSA-N 1 2 386.323 3.238 50 0 GGAALO COCCCN1C(=O)CC[C@H]2C[N@H+](Cc3c(Cl)cncc3Cl)CC[C@H]21 ZINC000072447336 1409849832 /nfs/dbraw/zinc/84/98/32/1409849832.db2.gz OSCYTPOMHZADIU-SUMWQHHRSA-N 1 2 386.323 3.238 50 0 GGAALO CC(C)=CCN1CC[N@H+](Cc2ccc3c(cccc3NC(C)=O)n2)C[C@H]1CCO ZINC000104533165 1410899119 /nfs/dbraw/zinc/89/91/19/1410899119.db2.gz PNARANNZZSVICB-HXUWFJFHSA-N 1 2 396.535 3.028 50 0 GGAALO CC(C)=CCN1CC[N@@H+](Cc2ccc3c(cccc3NC(C)=O)n2)C[C@H]1CCO ZINC000104533165 1410899120 /nfs/dbraw/zinc/89/91/20/1410899120.db2.gz PNARANNZZSVICB-HXUWFJFHSA-N 1 2 396.535 3.028 50 0 GGAALO O=C(CSC(=S)N1CC[NH+](Cc2ccccc2)CC1)Oc1ccccc1 ZINC000215684195 1433362064 /nfs/dbraw/zinc/36/20/64/1433362064.db2.gz GSZOAAYISDDMLF-UHFFFAOYSA-N 1 2 386.542 3.428 50 0 GGAALO COc1ccc2c(c1)O[C@@H](C)C[N@@H+](CC(=O)N1CC[C@@H](c3ccccc3F)C1)C2 ZINC000216198547 1433362971 /nfs/dbraw/zinc/36/29/71/1433362971.db2.gz PNJLIPLKWLOZOV-DLBZAZTESA-N 1 2 398.478 3.433 50 0 GGAALO COc1ccc2c(c1)O[C@@H](C)C[N@H+](CC(=O)N1CC[C@@H](c3ccccc3F)C1)C2 ZINC000216198547 1433362975 /nfs/dbraw/zinc/36/29/75/1433362975.db2.gz PNJLIPLKWLOZOV-DLBZAZTESA-N 1 2 398.478 3.433 50 0 GGAALO CSc1ncccc1C(=O)NC1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000225739251 1433367896 /nfs/dbraw/zinc/36/78/96/1433367896.db2.gz PBIOSWIEHADCLA-UHFFFAOYSA-N 1 2 397.548 3.180 50 0 GGAALO Cc1nc(N2CCC(NC(=O)c3c(F)cccc3F)CC2)c2c([nH+]1)CCCC2 ZINC000225739487 1433367962 /nfs/dbraw/zinc/36/79/62/1433367962.db2.gz PEPIAFAKGCLKRQ-UHFFFAOYSA-N 1 2 386.446 3.341 50 0 GGAALO O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21 ZINC000229799458 1433371887 /nfs/dbraw/zinc/37/18/87/1433371887.db2.gz LNFNIZFZHGGWDR-OKYOBFRVSA-N 1 2 394.858 3.175 50 0 GGAALO O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000229799458 1433371890 /nfs/dbraw/zinc/37/18/90/1433371890.db2.gz LNFNIZFZHGGWDR-OKYOBFRVSA-N 1 2 394.858 3.175 50 0 GGAALO