smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Cn1c(=O)oc2ccccc21)N1CCS[C@H](c2ccccc2F)CC1 ZINC000219109314 222592025 /nfs/dbraw/zinc/59/20/25/222592025.db2.gz QHPFVZMKQGHFQZ-SFHVURJKSA-N 0 0 386.448 3.440 50 0 GGAARN CC[C@H](C(=O)NCc1cnc2cnccn12)n1cc(C(C)=O)c2ccccc21 ZINC000221203905 222603193 /nfs/dbraw/zinc/60/31/93/222603193.db2.gz CQAVNIBROLUVHM-GOSISDBHSA-N 0 0 375.432 3.154 50 0 GGAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC2CCCCC2)cc1OC ZINC000000706362 230818590 /nfs/dbraw/zinc/81/85/90/230818590.db2.gz NXIFAGSMRPHYTK-IBGZPJMESA-N 0 0 388.464 3.455 50 0 GGAARN NN=c1[nH]c2sc3c(c2c2nnc(SCCc4ccccc4)n21)CCC3 ZINC000005066255 230839236 /nfs/dbraw/zinc/83/92/36/230839236.db2.gz NXPQZZDNCNWJHU-UHFFFAOYSA-N 0 0 382.518 3.448 50 0 GGAARN O=C(NCc1cccc(Cl)c1)[C@H]1CC(=O)O[C@H]1c1ccc2c(c1)OCCO2 ZINC000066088445 230948722 /nfs/dbraw/zinc/94/87/22/230948722.db2.gz SMCNCWNIOXRUEP-KXBFYZLASA-N 0 0 387.819 3.032 50 0 GGAARN Cc1cc(=O)c2ccccc2n1CC(=O)N1CCC[C@H]1c1nc(C(C)C)no1 ZINC000095523456 230998112 /nfs/dbraw/zinc/99/81/12/230998112.db2.gz DDULGYQHSPTYMD-KRWDZBQOSA-N 0 0 380.448 3.180 50 0 GGAARN C[C@H](NC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1)c1nc(-c2cccnc2)no1 ZINC000426399463 231215127 /nfs/dbraw/zinc/21/51/27/231215127.db2.gz VLVJJRIJGTWUPD-LBPRGKRZSA-N 0 0 383.456 3.055 50 0 GGAARN O=C(NCCCn1ncc2ccccc21)N1CCCN(c2ccccc2)CC1 ZINC000426399170 231215736 /nfs/dbraw/zinc/21/57/36/231215736.db2.gz GKLRUTNIFYZBIN-UHFFFAOYSA-N 0 0 377.492 3.348 50 0 GGAARN Cc1n[nH]c(C)c1CNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426407477 231216419 /nfs/dbraw/zinc/21/64/19/231216419.db2.gz DDWWHAORAUYARH-UHFFFAOYSA-N 0 0 399.520 3.181 50 0 GGAARN COCCN(Cc1ccsc1)C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000426410744 231216624 /nfs/dbraw/zinc/21/66/24/231216624.db2.gz SHLXQMSAFODMOZ-UHFFFAOYSA-N 0 0 376.478 3.268 50 0 GGAARN COC[C@@H]1CCCN1C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426419872 231217734 /nfs/dbraw/zinc/21/77/34/231217734.db2.gz ACAUBYWQHLSWRQ-HNNXBMFYSA-N 0 0 389.521 3.162 50 0 GGAARN Cc1cccnc1N1CCN(C(=O)NCCc2ccc(OC(C)C)cc2)CC1 ZINC000426415651 231217745 /nfs/dbraw/zinc/21/77/45/231217745.db2.gz RSFJSQFFAJBWRZ-UHFFFAOYSA-N 0 0 382.508 3.252 50 0 GGAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)N1CCC2(CCC(=O)N2)CC1 ZINC000426414731 231217926 /nfs/dbraw/zinc/21/79/26/231217926.db2.gz RUDIXYOZTKTSOG-HXUWFJFHSA-N 0 0 377.488 3.425 50 0 GGAARN Cc1cc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)c2cccc(Cl)c2n1 ZINC000426421323 231218690 /nfs/dbraw/zinc/21/86/90/231218690.db2.gz SZYFVCCFFGGNEX-AWEZNQCLSA-N 0 0 381.867 3.385 50 0 GGAARN COc1ccccc1-c1cc(C(=O)NCc2ccc(-c3ncon3)cc2)[nH]n1 ZINC000426432058 231220299 /nfs/dbraw/zinc/22/02/99/231220299.db2.gz TWUPXSHKUQWJQC-UHFFFAOYSA-N 0 0 375.388 3.065 50 0 GGAARN O=C(NCc1c[nH]nc1-c1ccccc1)N1CCCC[C@H]1CCn1ccnc1 ZINC000426434606 231220711 /nfs/dbraw/zinc/22/07/11/231220711.db2.gz XROKUQRGYKJSJL-IBGZPJMESA-N 0 0 378.480 3.428 50 0 GGAARN O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000409414837 231204116 /nfs/dbraw/zinc/20/41/16/231204116.db2.gz PKICTOAVROXRQI-HXUWFJFHSA-N 0 0 386.455 3.462 50 0 GGAARN Cc1nc(CNC(=O)N(C)Cc2ccc3nsnc3c2)nc2c1CCCC2 ZINC000426360041 231206817 /nfs/dbraw/zinc/20/68/17/231206817.db2.gz PEHXUYNNXQVTGS-UHFFFAOYSA-N 0 0 382.493 3.010 50 0 GGAARN Cc1cc(C)n(CC2(CNC(=O)c3cccc(-c4cccc(=O)[nH]4)c3)CC2)n1 ZINC000426361833 231208757 /nfs/dbraw/zinc/20/87/57/231208757.db2.gz UCRKFXDYGBOZCT-UHFFFAOYSA-N 0 0 376.460 3.478 50 0 GGAARN Cc1cc(-c2ccc(C(=O)N3CCN(C)[C@@H](CCO)C3)cc2)nc2ccccc12 ZINC000426361260 231208816 /nfs/dbraw/zinc/20/88/16/231208816.db2.gz VUUDMJJMDHUEOP-FQEVSTJZSA-N 0 0 389.499 3.349 50 0 GGAARN O=C(NCC(c1ccccc1)c1ccccc1)N1CCC2(CCC(=O)N2)CC1 ZINC000426362124 231208992 /nfs/dbraw/zinc/20/89/92/231208992.db2.gz ZWPDAVJAGREGGO-UHFFFAOYSA-N 0 0 377.488 3.273 50 0 GGAARN Cc1cnccc1-c1ccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000426376576 231209512 /nfs/dbraw/zinc/20/95/12/231209512.db2.gz VEGAGMSJICZTFC-OAQYLSRUSA-N 0 0 379.504 3.384 50 0 GGAARN O=C([C@@H]1COc2ccccc2C1)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 ZINC000426370737 231210215 /nfs/dbraw/zinc/21/02/15/231210215.db2.gz YAEWPTLOCRHDCB-KRWDZBQOSA-N 0 0 377.419 3.164 50 0 GGAARN O=C(NC(c1ccccc1)c1ccccc1)N1CCC(N2CCOCC2)CC1 ZINC000426380744 231210700 /nfs/dbraw/zinc/21/07/00/231210700.db2.gz UPDBBHPIRAKIDS-UHFFFAOYSA-N 0 0 379.504 3.282 50 0 GGAARN Cc1ccc(CN2CCN(C(=O)NCc3ccc(F)c(C)c3)[C@H](C)C2=O)cc1 ZINC000426381391 231211455 /nfs/dbraw/zinc/21/14/55/231211455.db2.gz DGDOLTHNFYZXBG-QGZVFWFLSA-N 0 0 383.467 3.385 50 0 GGAARN O=C(NCCC(c1ccccc1)c1ccccc1)N1CCC[C@](O)(CO)CC1 ZINC000426475427 231224372 /nfs/dbraw/zinc/22/43/72/231224372.db2.gz MDJXTWZAIRCJLQ-HSZRJFAPSA-N 0 0 382.504 3.128 50 0 GGAARN Cc1nccn1CC[C@@H](NC(=O)N1CCC(c2nnc[nH]2)CC1)c1ccccc1 ZINC000426477480 231224518 /nfs/dbraw/zinc/22/45/18/231224518.db2.gz YVBGSHOMZWVKHD-LJQANCHMSA-N 0 0 393.495 3.030 50 0 GGAARN Cc1cc(C(F)(F)F)cc(-c2cccc(C(=O)NCCc3ncnn3C)c2)n1 ZINC000426485597 231225833 /nfs/dbraw/zinc/22/58/33/231225833.db2.gz FOEMZJURUFHSQZ-UHFFFAOYSA-N 0 0 389.381 3.177 50 0 GGAARN O=C(c1cccc(-c2cccc(=O)[nH]2)c1)N1CC[NH+](C2CCSCC2)CC1 ZINC000426479130 231225925 /nfs/dbraw/zinc/22/59/25/231225925.db2.gz SKSWWMMYMPTISK-UHFFFAOYSA-N 0 0 383.517 3.108 50 0 GGAARN COCCc1noc([C@@H]2CCCN2C(=O)NCCc2ccc(Cl)cc2)n1 ZINC000426490337 231228292 /nfs/dbraw/zinc/22/82/92/231228292.db2.gz QRYFWBVHXYVKIK-HNNXBMFYSA-N 0 0 378.860 3.001 50 0 GGAARN Cc1c2cc(C)ccc2oc1C(=O)N1CCN(c2ccc3nccn3n2)CC1 ZINC000426493982 231230309 /nfs/dbraw/zinc/23/03/09/231230309.db2.gz IPGGXDCCLXQVJT-UHFFFAOYSA-N 0 0 375.432 3.055 50 0 GGAARN COCCCNC(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000426513650 231232422 /nfs/dbraw/zinc/23/24/22/231232422.db2.gz MMGXCVXBUCNHGO-UHFFFAOYSA-N 0 0 382.504 3.381 50 0 GGAARN Cc1cc(C)c2c(c1)nc(C)cc2C(=O)N[C@@H]1CCCN(c2cnccn2)C1 ZINC000426513619 231232853 /nfs/dbraw/zinc/23/28/53/231232853.db2.gz INRXVLINTFOWJS-QGZVFWFLSA-N 0 0 375.476 3.349 50 0 GGAARN Cn1cc(CN(C(=O)c2ccc(-c3ccc(O)c(CO)c3)cc2)C2CC2)cn1 ZINC000426519272 231233758 /nfs/dbraw/zinc/23/37/58/231233758.db2.gz PCVDWEDHIVVZRX-UHFFFAOYSA-N 0 0 377.444 3.090 50 0 GGAARN C[C@H]1CN(C(=O)c2cccc(-c3ccc(CC(=O)N(C)C)cc3)c2)CCCO1 ZINC000426528148 231235657 /nfs/dbraw/zinc/23/56/57/231235657.db2.gz YBVIEYIDXNHHDJ-KRWDZBQOSA-N 0 0 380.488 3.235 50 0 GGAARN Cc1nc(CCNC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)nc2c1CCC2 ZINC000426527876 231236104 /nfs/dbraw/zinc/23/61/04/231236104.db2.gz MNXNDEFEWGVHKX-UHFFFAOYSA-N 0 0 381.455 3.278 50 0 GGAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCN(C2Cc3ccccc3C2)CC1 ZINC000426536595 231236848 /nfs/dbraw/zinc/23/68/48/231236848.db2.gz ZRYBIZRSEQDLCZ-UHFFFAOYSA-N 0 0 386.499 3.012 50 0 GGAARN Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1ccc(-c2ccc(N(C)C)nn2)cc1 ZINC000426534432 231236978 /nfs/dbraw/zinc/23/69/78/231236978.db2.gz JBNGSZBDJREPQQ-HNNXBMFYSA-N 0 0 378.480 3.383 50 0 GGAARN Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1ccc(-c2ccc(N(C)C)nn2)cc1 ZINC000426534433 231237072 /nfs/dbraw/zinc/23/70/72/231237072.db2.gz JBNGSZBDJREPQQ-OAHLLOKOSA-N 0 0 378.480 3.383 50 0 GGAARN Cc1ccc(-c2cccc(C(=O)N3CCC[C@H](Cn4ccnc4)C3)c2)c(N)n1 ZINC000426544281 231238055 /nfs/dbraw/zinc/23/80/55/231238055.db2.gz CWKUDJPZRBUYSL-QGZVFWFLSA-N 0 0 375.476 3.388 50 0 GGAARN O=C(CSc1cn(Cc2ccccc2)c2ccccc12)N1CCNC(=O)CC1 ZINC000426544624 231238534 /nfs/dbraw/zinc/23/85/34/231238534.db2.gz COPWMORSLWUNDZ-UHFFFAOYSA-N 0 0 393.512 3.130 50 0 GGAARN COCc1nc([C@@H]2CCOC2)cc(N(C)Cc2cc(-c3ccccc3)no2)n1 ZINC000426544473 231238923 /nfs/dbraw/zinc/23/89/23/231238923.db2.gz RXLDPAZBIOZVBT-MRXNPFEDSA-N 0 0 380.448 3.418 50 0 GGAARN O=C(c1ccc(Oc2ccccc2)o1)N1CCC[C@H](c2ccn(CCO)n2)C1 ZINC000426612860 231246410 /nfs/dbraw/zinc/24/64/10/231246410.db2.gz OIPFPRONOCFJDS-INIZCTEOSA-N 0 0 381.432 3.281 50 0 GGAARN O=C(NCCOc1ccc(F)cc1)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000426615370 231247000 /nfs/dbraw/zinc/24/70/00/231247000.db2.gz FUTNFHUFCFFCAY-GOSISDBHSA-N 0 0 378.469 3.421 50 0 GGAARN Cc1nc(CN(C(=O)c2cccc(-c3ccc(C(N)=O)s3)c2)C(C)C)no1 ZINC000426470651 231223424 /nfs/dbraw/zinc/22/34/24/231223424.db2.gz OCTSCJDFOACOMS-UHFFFAOYSA-N 0 0 384.461 3.256 50 0 GGAARN COCCc1noc(CNC(=O)c2ccc(-c3ccc(OC)cc3C)cc2)n1 ZINC000426653020 231249185 /nfs/dbraw/zinc/24/91/85/231249185.db2.gz VVFWPPRRYDRYLX-UHFFFAOYSA-N 0 0 381.432 3.173 50 0 GGAARN O=C(NCc1cnc2ccccn12)N1CCC([C@@H](O)CCc2ccccc2)CC1 ZINC000426658444 231249364 /nfs/dbraw/zinc/24/93/64/231249364.db2.gz OLAVOAAJEHOQBM-NRFANRHFSA-N 0 0 392.503 3.250 50 0 GGAARN Cn1ccnc1-c1cccc(C(=O)N(Cc2ccccn2)C[C@@H]2CCCO2)c1 ZINC000426668926 231250345 /nfs/dbraw/zinc/25/03/45/231250345.db2.gz AXZASNPCIHXLJL-FQEVSTJZSA-N 0 0 376.460 3.304 50 0 GGAARN Cc1cc(C)n(CCCN(C)C(=O)N[C@H](C)c2cnn(-c3ccccc3)c2)n1 ZINC000426690315 231253119 /nfs/dbraw/zinc/25/31/19/231253119.db2.gz PDURJAJCALOAIR-GOSISDBHSA-N 0 0 380.496 3.478 50 0 GGAARN Cc1cc(C(=O)N2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)c(C)o1 ZINC000426707398 231253667 /nfs/dbraw/zinc/25/36/67/231253667.db2.gz KCXXKNQYGQONCM-KRWDZBQOSA-N 0 0 385.512 3.031 50 0 GGAARN CO[C@]12CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)[C@H]1C[C@H](OCC(=O)[O-])CC2 ZINC000426722431 231255421 /nfs/dbraw/zinc/25/54/21/231255421.db2.gz MBZHGJYNMNNLOK-ZWCUEREDSA-N 0 0 389.492 3.013 50 0 GGAARN Cc1n[nH]c(C)c1CCCN(C)C(=O)NCc1cnn(-c2cccc(C)c2)c1 ZINC000426740484 231257520 /nfs/dbraw/zinc/25/75/20/231257520.db2.gz MBPWSKCNJBKWGV-UHFFFAOYSA-N 0 0 380.496 3.295 50 0 GGAARN CC[C@H](NC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)c1cnn(C)c1 ZINC000426526880 529488196 /nfs/dbraw/zinc/48/81/96/529488196.db2.gz NWWHHAPCRBCZKX-KRWDZBQOSA-N 0 0 376.888 3.218 50 0 GGAARN Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)c2c(F)ccc(C)c2Cl)cn1 ZINC000223026745 222623018 /nfs/dbraw/zinc/62/30/18/222623018.db2.gz JNDHAURQOFJXBB-CVEARBPZSA-N 0 0 378.831 3.457 50 0 GGAARN CC[C@@H](NC(=O)CCc1nc2cc(C)c(C)cc2[nH]1)c1cn2cccnc2n1 ZINC000426361473 529594404 /nfs/dbraw/zinc/59/44/04/529594404.db2.gz ZADSYLKIWKMBJE-OAHLLOKOSA-N 0 0 376.464 3.423 50 0 GGAARN CCc1ccccc1OC1CN(C(=O)c2cccc(-c3cnn(C)c3N)c2)C1 ZINC000426526335 529601383 /nfs/dbraw/zinc/60/13/83/529601383.db2.gz ZKVHHXOQBVACAD-UHFFFAOYSA-N 0 0 376.460 3.135 50 0 GGAARN CCc1ccc(CN2CCc3c(C(=O)N4CCC(CO)CC4)csc3C2)nc1 ZINC000426549202 529642886 /nfs/dbraw/zinc/64/28/86/529642886.db2.gz SGPYFRIXVAJJTM-UHFFFAOYSA-N 0 0 399.560 3.108 50 0 GGAARN CCc1ccc(CN2CCc3c(C(=O)N4CCN(CC)CC4)csc3C2)nc1 ZINC000426575160 529642905 /nfs/dbraw/zinc/64/29/05/529642905.db2.gz UAXVRDLBCFDSKC-UHFFFAOYSA-N 0 0 398.576 3.042 50 0 GGAARN CCc1ccc(CN2CCc3c(C(=O)NCC4(CO)CCC4)csc3C2)nc1 ZINC000426401607 529643258 /nfs/dbraw/zinc/64/32/58/529643258.db2.gz DKQMWUQLQCNMPG-UHFFFAOYSA-N 0 0 399.560 3.156 50 0 GGAARN CCc1ccc(CN2CCc3c(C(=O)N4CCCC[C@H]4CO)csc3C2)nc1 ZINC000426473355 529643465 /nfs/dbraw/zinc/64/34/65/529643465.db2.gz CNCYECXMZQNGCJ-SFHVURJKSA-N 0 0 399.560 3.251 50 0 GGAARN CCc1ccc(CN2CCc3c(C(=O)N4CCSCC4)csc3C2)nc1 ZINC000426523310 529643481 /nfs/dbraw/zinc/64/34/81/529643481.db2.gz BIPDKTQWTPSBBL-UHFFFAOYSA-N 0 0 387.574 3.453 50 0 GGAARN CCc1ccc(CN2CCc3c(C(=O)N4CC[C@@H](OC)C4)csc3C2)nc1 ZINC000426376379 529643489 /nfs/dbraw/zinc/64/34/89/529643489.db2.gz NDWSZIXSJVBCRQ-QGZVFWFLSA-N 0 0 385.533 3.125 50 0 GGAARN CCc1ccc(CN2CCc3c(C(=O)NC[C@@H]4CCCOC4)csc3C2)nc1 ZINC000426470548 529644185 /nfs/dbraw/zinc/64/41/85/529644185.db2.gz HBPVDLPIEJDTCQ-KRWDZBQOSA-N 0 0 399.560 3.420 50 0 GGAARN CCc1ccc(CN2CCc3c(C(=O)N[C@H](C)C(C)(C)O)csc3C2)nc1 ZINC000426740559 529644598 /nfs/dbraw/zinc/64/45/98/529644598.db2.gz OTDKMFWNRDSLOB-CQSZACIVSA-N 0 0 387.549 3.153 50 0 GGAARN CCc1ccc(CN2CCc3c(C(=O)N[C@H](CO)C(C)C)csc3C2)nc1 ZINC000426489557 529644680 /nfs/dbraw/zinc/64/46/80/529644680.db2.gz NRICAVNZQXJYHI-LJQANCHMSA-N 0 0 387.549 3.011 50 0 GGAARN CCc1nc(C)cc(N2CC[C@@]3(C2)CCCN(CCc2ccccc2)C3=O)n1 ZINC000426487515 529730334 /nfs/dbraw/zinc/73/03/34/529730334.db2.gz 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Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000000677143 203847920 /nfs/dbraw/zinc/84/79/20/203847920.db2.gz XINUGAOYZMDABI-UHFFFAOYSA-N 0 0 388.489 3.105 50 0 GGAARN CCOc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000000708956 203848726 /nfs/dbraw/zinc/84/87/26/203848726.db2.gz PDJUYBLIRHQRFW-IBGZPJMESA-N 0 0 397.431 3.066 50 0 GGAARN CCc1nccn1S(=O)(=O)c1ccc(Br)cc1Br ZINC000000714414 203850407 /nfs/dbraw/zinc/85/04/07/203850407.db2.gz XFOHOQDJVYCEMY-UHFFFAOYSA-N 0 0 394.088 3.208 50 0 GGAARN O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000000779548 203851936 /nfs/dbraw/zinc/85/19/36/203851936.db2.gz BIVMCTGNPNJUDX-UHFFFAOYSA-N 0 0 392.430 3.342 50 0 GGAARN COc1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1 ZINC000000754826 203852309 /nfs/dbraw/zinc/85/23/09/203852309.db2.gz XGAJCNMXMLEYNA-UHFFFAOYSA-N 0 0 396.468 3.426 50 0 GGAARN O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1Cc1cccnc1 ZINC000001209863 203896696 /nfs/dbraw/zinc/89/66/96/203896696.db2.gz 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CC(C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)NC1CCCCC1 ZINC000005488806 204136495 /nfs/dbraw/zinc/13/64/95/204136495.db2.gz WKWCERXMTXDXDO-SFHVURJKSA-N 0 0 383.496 3.039 50 0 GGAARN COc1ccc(Cc2nnc(NC(=O)COc3ccccc3OC)s2)cc1 ZINC000005500719 204136679 /nfs/dbraw/zinc/13/66/79/204136679.db2.gz DNJGPOALWIABPT-UHFFFAOYSA-N 0 0 385.445 3.164 50 0 GGAARN O=C(Nc1nccs1)c1c(O)c2c(n(Cc3ccccc3)c1=O)CCCC2 ZINC000005522851 204137810 /nfs/dbraw/zinc/13/78/10/204137810.db2.gz MJBIPXLCEBMPOL-UHFFFAOYSA-N 0 0 381.457 3.190 50 0 GGAARN CSc1ccc(S(=O)(=O)N(CC(=O)N(C)C)c2ccc(C)cc2)cc1 ZINC000005543957 204138961 /nfs/dbraw/zinc/13/89/61/204138961.db2.gz KWFPVFGAEGAQNK-UHFFFAOYSA-N 0 0 378.519 3.000 50 0 GGAARN CCOc1ccccc1C(=O)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000005532051 204139109 /nfs/dbraw/zinc/13/91/09/204139109.db2.gz YYWWYWZJHRTIQS-QGZVFWFLSA-N 0 0 391.464 3.054 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccs1 ZINC000005558982 204139692 /nfs/dbraw/zinc/13/96/92/204139692.db2.gz 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Cc1ccc(Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3cccnc32)cc1 ZINC000006805119 204208959 /nfs/dbraw/zinc/20/89/59/204208959.db2.gz YDPRQHHMTDRQAW-UHFFFAOYSA-N 0 0 375.403 3.102 50 0 GGAARN Cc1c(OCC(=O)NCc2ccccn2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000006804513 204209269 /nfs/dbraw/zinc/20/92/69/204209269.db2.gz QOQFZPLWNYSIIR-UHFFFAOYSA-N 0 0 378.428 3.070 50 0 GGAARN CCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1F)S2 ZINC000006811761 204210269 /nfs/dbraw/zinc/21/02/69/204210269.db2.gz YJXYOMQIUTWNPM-DLBZAZTESA-N 0 0 383.452 3.377 50 0 GGAARN O=C(c1ccc(Cl)cc1)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000006810953 204210333 /nfs/dbraw/zinc/21/03/33/204210333.db2.gz VOSLTMWXDODGFY-KRWDZBQOSA-N 0 0 381.856 3.309 50 0 GGAARN CCOc1ccc(NC(=O)CN2C(=O)C(c3ccc(OC)cc3)=NC2(C)C)cc1 ZINC000006808755 204210522 /nfs/dbraw/zinc/21/05/22/204210522.db2.gz WOBYBXSTJKUANM-UHFFFAOYSA-N 0 0 395.459 3.100 50 0 GGAARN COC(=O)[C@H]1CN(C(=O)[C@H](C)Oc2ccccc2Cl)c2ccccc2O1 ZINC000006810856 204210561 /nfs/dbraw/zinc/21/05/61/204210561.db2.gz LHDZUHSTPWTWQF-YVEFUNNKSA-N 0 0 375.808 3.075 50 0 GGAARN COc1cc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc(OC)c1OC ZINC000006811186 204210596 /nfs/dbraw/zinc/21/05/96/204210596.db2.gz FPCIOFBHNDHTMK-UHFFFAOYSA-N 0 0 383.404 3.001 50 0 GGAARN COc1ccc(-c2nc(CNS(=O)(=O)c3ccc(OC)cc3)cs2)cc1 ZINC000006808805 204210767 /nfs/dbraw/zinc/21/07/67/204210767.db2.gz YMMUVOUIXIXXKJ-UHFFFAOYSA-N 0 0 390.486 3.306 50 0 GGAARN O=C(c1cccc(Cl)c1)N(Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000006810999 204210783 /nfs/dbraw/zinc/21/07/83/204210783.db2.gz RZHFHZBLUORLRY-KRWDZBQOSA-N 0 0 381.856 3.309 50 0 GGAARN CCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1F)S2 ZINC000006811763 204210963 /nfs/dbraw/zinc/21/09/63/204210963.db2.gz YJXYOMQIUTWNPM-IRXDYDNUSA-N 0 0 383.452 3.377 50 0 GGAARN CCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1OC)S2 ZINC000006811842 204211480 /nfs/dbraw/zinc/21/14/80/204211480.db2.gz KCGLQNKTTIVLIJ-MSOLQXFVSA-N 0 0 395.488 3.247 50 0 GGAARN CCc1ccccc1NC(=O)COC(=O)c1cn(CC)c2nc(C)ccc2c1=O ZINC000006817345 204211483 /nfs/dbraw/zinc/21/14/83/204211483.db2.gz SXFUIPORGRGZJN-UHFFFAOYSA-N 0 0 393.443 3.083 50 0 GGAARN CCc1nnc2n1N[C@@H](c1ccc(OC)cc1)[C@H](C(=O)Nc1ccccc1)S2 ZINC000006811989 204211560 /nfs/dbraw/zinc/21/15/60/204211560.db2.gz QHQREOIVWZNTSH-ZWKOTPCHSA-N 0 0 395.488 3.247 50 0 GGAARN COc1ccccc1[C@@H]1CC(=O)NC(C)=C1C(=O)OCc1ccc2c(c1)OCO2 ZINC000006820086 204213060 /nfs/dbraw/zinc/21/30/60/204213060.db2.gz GOCCCGOEWHWYGG-INIZCTEOSA-N 0 0 395.411 3.045 50 0 GGAARN Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)c(Cl)c1 ZINC000006844352 204214871 /nfs/dbraw/zinc/21/48/71/204214871.db2.gz RDKNBIAFYBMUGA-UHFFFAOYSA-N 0 0 393.921 3.424 50 0 GGAARN CC[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)NC2CCCC2)ccc1OC ZINC000006224871 204170921 /nfs/dbraw/zinc/17/09/21/204170921.db2.gz YKLDWMVZCWVISP-KRWDZBQOSA-N 0 0 394.537 3.321 50 0 GGAARN Cc1cccc(C(C)C)c1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000006207639 204170991 /nfs/dbraw/zinc/17/09/91/204170991.db2.gz YYUDFMIHGJDRTP-UHFFFAOYSA-N 0 0 389.521 3.370 50 0 GGAARN COc1ccccc1/C=C\C=c1/sc2nc(-c3ccccc3C)nn2c1=O ZINC000006208411 204171381 /nfs/dbraw/zinc/17/13/81/204171381.db2.gz JNNSPDHUFVHCEW-MRJMLVAMSA-N 0 0 375.453 3.348 50 0 GGAARN COC(=O)c1c2c(sc1NC(=S)NCc1cn(C)nc1C)C[C@@H](C)CC2 ZINC000006232923 204171848 /nfs/dbraw/zinc/17/18/48/204171848.db2.gz RWUICRIHQNFYGR-JTQLQIEISA-N 0 0 392.550 3.188 50 0 GGAARN NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000006241477 204173078 /nfs/dbraw/zinc/17/30/78/204173078.db2.gz MMZWZPBMMDZPBB-UHFFFAOYSA-N 0 0 392.786 3.039 50 0 GGAARN O=C(Oc1ccccc1NC1=NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000006257875 204173139 /nfs/dbraw/zinc/17/31/39/204173139.db2.gz JFVHPRUHXWKGSJ-UHFFFAOYSA-N 0 0 378.409 3.467 50 0 GGAARN O=C(/C=C/c1ccc(F)cc1)N1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000006331671 204174022 /nfs/dbraw/zinc/17/40/22/204174022.db2.gz YSFAUMCHSIQDPO-YDWXAUTNSA-N 0 0 382.410 3.362 50 0 GGAARN CCc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000006359083 204175684 /nfs/dbraw/zinc/17/56/84/204175684.db2.gz AKACSWKBUFCDQN-YAEBDLLGSA-N 0 0 399.487 3.276 50 0 biogenic GGAARN Cc1c(NS(=O)(=O)c2cccc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000006368682 204176166 /nfs/dbraw/zinc/17/61/66/204176166.db2.gz GRNIHQVFYFQDMA-UHFFFAOYSA-N 0 0 393.468 3.438 50 0 GGAARN CC1=NN(C(=O)CSCc2ccc(Br)cc2)[C@](O)(C(F)F)C1 ZINC000006394588 204176625 /nfs/dbraw/zinc/17/66/25/204176625.db2.gz PALOYTXGEUDWPI-CQSZACIVSA-N 0 0 393.253 3.244 50 0 GGAARN CCCc1c(C(=O)OCC)sc(NC(=O)c2ccnn2C)c1C(=O)OCC ZINC000006399930 204176646 /nfs/dbraw/zinc/17/66/46/204176646.db2.gz BKALUAVOWKIPHM-UHFFFAOYSA-N 0 0 393.465 3.040 50 0 GGAARN CCCn1c(SCC(=O)Nc2sccc2C(=O)OC)nnc1C(C)C ZINC000006400255 204176845 /nfs/dbraw/zinc/17/68/45/204176845.db2.gz NEGRLTCMJSWLIB-UHFFFAOYSA-N 0 0 382.511 3.390 50 0 GGAARN CCOC(=O)c1sc2ncn3nc(-c4cc(C(F)(F)F)[nH]n4)nc3c2c1C ZINC000006401993 204177602 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FC(F)C(F)(F)COCc1cccc(-c2nc3c4cnnc-4ncn3[nH]2)c1 ZINC000006413951 204179046 /nfs/dbraw/zinc/17/90/46/204179046.db2.gz MMVVHNVTLVWLIB-UHFFFAOYSA-N 0 0 380.305 3.085 50 0 GGAARN Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1 ZINC000006503584 204181556 /nfs/dbraw/zinc/18/15/56/204181556.db2.gz ZFRUHMKBOJVGGP-MPGHIAIKSA-N 0 0 378.350 3.099 50 0 GGAARN Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000006526952 204182902 /nfs/dbraw/zinc/18/29/02/204182902.db2.gz PACWWZLNZLCVOQ-SFGNSQDASA-N 0 0 398.223 3.218 50 0 GGAARN O=C(C=C1SC(=O)NC1=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000006584098 204185330 /nfs/dbraw/zinc/18/53/30/204185330.db2.gz ROHDPEDVLFFYSY-WDZFZDKYSA-N 0 0 379.850 3.193 50 0 GGAARN COc1cc(OC)cc(-c2nc(SCC(=O)Nc3ccc(F)cc3)n[nH]2)c1 ZINC000006603385 204186247 /nfs/dbraw/zinc/18/62/47/204186247.db2.gz XMWRAXXBZWFACY-UHFFFAOYSA-N 0 0 388.424 3.359 50 0 GGAARN COc1cc(OC)cc(-c2nc(SCC(=O)Nc3ccccc3F)n[nH]2)c1 ZINC000006603389 204186625 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CCOc1ccc(CC(=O)Nc2nn(C)c3c2[C@H](c2ccco2)CC(=O)N3)cc1 ZINC000036705550 204325307 /nfs/dbraw/zinc/32/53/07/204325307.db2.gz FQTRGIMNKLZWAI-HNNXBMFYSA-N 0 0 394.431 3.067 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)c2nnn(-c3cccc(OC)c3)c2C)cc1 ZINC000009970549 204327007 /nfs/dbraw/zinc/32/70/07/204327007.db2.gz DYZNMXQHKHGMCZ-UHFFFAOYSA-N 0 0 380.404 3.013 50 0 GGAARN CCOc1ccccc1CCCNC(=O)c1ccc(NS(=O)(=O)CC)cc1 ZINC000010111054 204330025 /nfs/dbraw/zinc/33/00/25/204330025.db2.gz PWARJQJHZRNUIR-UHFFFAOYSA-N 0 0 390.505 3.210 50 0 GGAARN COc1cccc(-c2cc(=O)[nH]c(Nc3nc(C)c4cccc(OC)c4n3)n2)c1 ZINC000010157432 204331492 /nfs/dbraw/zinc/33/14/92/204331492.db2.gz MVKDDNWRINWMIA-UHFFFAOYSA-N 0 0 389.415 3.449 50 0 GGAARN COc1cc(NC(=O)c2nnn(-c3cccc(Cl)c3C)c2N)cc(OC)c1 ZINC000010273018 204332469 /nfs/dbraw/zinc/33/24/69/204332469.db2.gz MXVPWVDJNYYKTF-UHFFFAOYSA-N 0 0 387.827 3.081 50 0 GGAARN CC[C@@H](C)n1c(C)cn2c3c(nc21)n(C)c(=O)n(CCCc1ccccc1)c3=O ZINC000010233536 204332506 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COc1ccc(C(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)c(OC)c1 ZINC000010509332 204335845 /nfs/dbraw/zinc/33/58/45/204335845.db2.gz PWLGKUQYLPNFLV-UHFFFAOYSA-N 0 0 397.406 3.109 50 0 GGAARN CC1(C)C[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc2O1 ZINC000010544167 204336208 /nfs/dbraw/zinc/33/62/08/204336208.db2.gz JUNMYDBFIOKWDZ-OAHLLOKOSA-N 0 0 375.446 3.039 50 0 GGAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)CC1=O ZINC000010461833 204336485 /nfs/dbraw/zinc/33/64/85/204336485.db2.gz PXLQIVPEMMZQJA-FUHWJXTLSA-N 0 0 385.508 3.146 50 0 GGAARN CCn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1cc2ccccc2o1 ZINC000010681844 204337890 /nfs/dbraw/zinc/33/78/90/204337890.db2.gz DUEJALLPTYCURF-AWEZNQCLSA-N 0 0 386.477 3.099 50 0 GGAARN Nc1n[nH]c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000010716085 204338667 /nfs/dbraw/zinc/33/86/67/204338667.db2.gz MAOUCIVQXBJIOL-UHFFFAOYSA-N 0 0 385.293 3.155 50 0 GGAARN COc1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1Cl ZINC000010803500 204339035 /nfs/dbraw/zinc/33/90/35/204339035.db2.gz 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O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1cn(CCCc2ccccc2)nn1 ZINC000011665218 204349032 /nfs/dbraw/zinc/34/90/32/204349032.db2.gz CXAPTCYFVHJGHN-KRWDZBQOSA-N 0 0 389.381 3.339 50 0 GGAARN COc1ccccc1-c1cn2c(C(=O)N(C)CCc3cnn(C)c3)csc2n1 ZINC000011663878 204349208 /nfs/dbraw/zinc/34/92/08/204349208.db2.gz WTXJYPFPZFTUNJ-UHFFFAOYSA-N 0 0 395.488 3.120 50 0 GGAARN Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@@H]1CCC(=O)N(C2CC2)C1 ZINC000011662416 204349260 /nfs/dbraw/zinc/34/92/60/204349260.db2.gz WAMMQFOKLKRQRH-QGZVFWFLSA-N 0 0 383.517 3.381 50 0 GGAARN CC1(C)C(=O)NCCN1C(=O)c1csc2nc(-c3ccccc3Cl)cn12 ZINC000011663673 204349430 /nfs/dbraw/zinc/34/94/30/204349430.db2.gz AXTOEYCWHLKBNY-UHFFFAOYSA-N 0 0 388.880 3.067 50 0 GGAARN CC(=O)[C@@H]1CCCN(C(=O)c2cn(C(c3ccccc3)c3ccccc3)nn2)C1 ZINC000011662026 204349491 /nfs/dbraw/zinc/34/94/91/204349491.db2.gz ITPLWHIXPMMRSJ-HXUWFJFHSA-N 0 0 388.471 3.357 50 0 GGAARN Cc1cc(C(=O)NC[C@H]2CCCN(Cc3nccn3-c3cccc(C)c3)C2)no1 ZINC000011663234 204349542 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GGAARN COc1ccc2[nH]cc(CCNC(=O)c3nc(-c4ccc(F)cc4)no3)c2c1 ZINC000012408393 204404973 /nfs/dbraw/zinc/40/49/73/204404973.db2.gz RSOHTAOERSFUIP-UHFFFAOYSA-N 0 0 380.379 3.338 50 0 GGAARN CCCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl ZINC000012393355 204405101 /nfs/dbraw/zinc/40/51/01/204405101.db2.gz PIODZEQPZUFPCB-UHFFFAOYSA-N 0 0 392.912 3.028 50 0 GGAARN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000012404343 204405457 /nfs/dbraw/zinc/40/54/57/204405457.db2.gz MEPRLWMICGWGAO-FQEVSTJZSA-N 0 0 382.460 3.264 50 0 GGAARN CCC(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O ZINC000012418342 204405942 /nfs/dbraw/zinc/40/59/42/204405942.db2.gz AYMMLMGIBPIRIO-SFHVURJKSA-N 0 0 381.398 3.393 50 0 GGAARN CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2cccc(F)c2)c2ccccc12 ZINC000012411553 204406110 /nfs/dbraw/zinc/40/61/10/204406110.db2.gz YMGDLNWRIFJVOF-UHFFFAOYSA-N 0 0 395.434 3.261 50 0 biogenic,in-vitro GGAARN O=C(Nc1ccccc1Cl)c1cc(Br)ccc1-n1cnnn1 ZINC000012409758 204406408 /nfs/dbraw/zinc/40/64/08/204406408.db2.gz QFSJHSBQQNYSCI-UHFFFAOYSA-N 0 0 378.617 3.331 50 0 GGAARN COc1ccc(Cc2nc3ccc(C(=O)N(C)Cc4nnc(C)o4)cc3o2)cc1 ZINC000012432409 204408779 /nfs/dbraw/zinc/40/87/79/204408779.db2.gz JSVGZRZWSJXOTG-UHFFFAOYSA-N 0 0 392.415 3.391 50 0 GGAARN C[C@H](c1nccs1)N(C)Cc1c(C(=O)N2CCCC2)nc2sccn12 ZINC000012433331 204409147 /nfs/dbraw/zinc/40/91/47/204409147.db2.gz OSOSNNUOZPQSFH-GFCCVEGCSA-N 0 0 375.523 3.281 50 0 GGAARN COc1ccccc1CCc1nnc(CCC(=O)NCCc2ccccc2)o1 ZINC000012437361 204409531 /nfs/dbraw/zinc/40/95/31/204409531.db2.gz IZWLCGAZMCKVGE-UHFFFAOYSA-N 0 0 379.460 3.155 50 0 GGAARN Cc1c(CC(=O)NC2CCOCC2)c2c(n1Cc1ccc(F)cc1)CCCC2=O ZINC000012455341 204411203 /nfs/dbraw/zinc/41/12/03/204411203.db2.gz MNKSZIWGLPTALN-UHFFFAOYSA-N 0 0 398.478 3.341 50 0 GGAARN O=C(CSc1ccccn1)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012448918 204411295 /nfs/dbraw/zinc/41/12/95/204411295.db2.gz CARYIGCWDAXCAC-INIZCTEOSA-N 0 0 385.489 3.048 50 0 GGAARN O=C(NCc1c[nH]nc1-c1ccccc1)c1cn(CCCc2ccccc2)nn1 ZINC000012445934 204411609 /nfs/dbraw/zinc/41/16/09/204411609.db2.gz YUVXYYXVIYWZHE-UHFFFAOYSA-N 0 0 386.459 3.231 50 0 GGAARN CC(C)Cn1c(CN2CCC[C@H]2c2ccc(F)cc2)cnc1S(C)(=O)=O ZINC000012444868 204412080 /nfs/dbraw/zinc/41/20/80/204412080.db2.gz DGJFGLWPENAUAG-SFHVURJKSA-N 0 0 379.501 3.419 50 0 GGAARN CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 ZINC000012460483 204413280 /nfs/dbraw/zinc/41/32/80/204413280.db2.gz CMXPFBDMXINOKF-MRXNPFEDSA-N 0 0 383.423 3.275 50 0 GGAARN O=C(Cc1cccs1)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012458111 204413656 /nfs/dbraw/zinc/41/36/56/204413656.db2.gz PMZNBJALQFVDQX-ZDUSSCGKSA-N 0 0 382.407 3.227 50 0 GGAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012457700 204414134 /nfs/dbraw/zinc/41/41/34/204414134.db2.gz NQHAUFCDJYYDTN-QGZVFWFLSA-N 0 0 381.476 3.481 50 0 GGAARN CC(=O)c1cccc(OCc2cc(C(=O)N(CC3CC3)C[C@H]3CCCO3)no2)c1 ZINC000012479731 204414718 /nfs/dbraw/zinc/41/47/18/204414718.db2.gz HKJONOGBSHDLPD-LJQANCHMSA-N 0 0 398.459 3.487 50 0 GGAARN CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C(=O)c2cscn2)C1 ZINC000012475788 204414894 /nfs/dbraw/zinc/41/48/94/204414894.db2.gz VHJGBHZWKJRJCL-IBGZPJMESA-N 0 0 394.443 3.450 50 0 GGAARN O=C(NC[C@@H]1Cc2cc(-c3cccnc3)cc(F)c2O1)c1ccc2c(c1)OCO2 ZINC000012182035 204378769 /nfs/dbraw/zinc/37/87/69/204378769.db2.gz CPIITCOUFNZPPS-KRWDZBQOSA-N 0 0 392.386 3.350 50 0 GGAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(COc2ccccc2)on1 ZINC000012195642 204380475 /nfs/dbraw/zinc/38/04/75/204380475.db2.gz YKLFTLZPBPVEGV-UHFFFAOYSA-N 0 0 391.427 3.310 50 0 GGAARN CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2 ZINC000012190983 204380718 /nfs/dbraw/zinc/38/07/18/204380718.db2.gz PPRGWOYVHJZXFI-SFHVURJKSA-N 0 0 389.931 3.213 50 0 GGAARN O=C(CCc1cccs1)N1CCC[C@H]1C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000012194857 204380746 /nfs/dbraw/zinc/38/07/46/204380746.db2.gz UQDMZWFQJJRTHB-IBGZPJMESA-N 0 0 394.500 3.496 50 0 GGAARN Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCc2ccco2)cc1 ZINC000012196711 204381007 /nfs/dbraw/zinc/38/10/07/204381007.db2.gz HGONKWRSAWZEJT-FQEVSTJZSA-N 0 0 392.459 3.336 50 0 GGAARN COc1ccc(C(=O)CCC(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)cc1 ZINC000012198298 204381161 /nfs/dbraw/zinc/38/11/61/204381161.db2.gz NCCQYUYAEYIIQD-OAHLLOKOSA-N 0 0 392.459 3.425 50 0 GGAARN O=C(Nc1cccc2cccnc21)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000012194598 204381733 /nfs/dbraw/zinc/38/17/33/204381733.db2.gz HEAMBHHJDQXSGK-UHFFFAOYSA-N 0 0 381.457 3.417 50 0 GGAARN COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)Cn2cnc3ccccc32)C1 ZINC000012201928 204382004 /nfs/dbraw/zinc/38/20/04/204382004.db2.gz BTCXUARRUGXUAT-MRXNPFEDSA-N 0 0 377.444 3.166 50 0 GGAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)CCCN2CCCC2=O)C1 ZINC000012200285 204382173 /nfs/dbraw/zinc/38/21/73/204382173.db2.gz OLDDXAFZLJWRBP-LJQANCHMSA-N 0 0 394.519 3.405 50 0 GGAARN O=C(c1cn(CCCc2ccccc2)nn1)N1CCN(c2ccccc2F)CC1 ZINC000012203747 204382249 /nfs/dbraw/zinc/38/22/49/204382249.db2.gz QRUPXYQTKQVRAR-UHFFFAOYSA-N 0 0 393.466 3.012 50 0 GGAARN O=C(N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)c1ccc2scnc2c1 ZINC000012199903 204383038 /nfs/dbraw/zinc/38/30/38/204383038.db2.gz GYJLZKZXYLIAQF-INIZCTEOSA-N 0 0 383.448 3.009 50 0 GGAARN COc1ccccc1CN1C[C@H](C(=O)NCCCc2ccc(F)cc2)CCC1=O ZINC000012203454 204383157 /nfs/dbraw/zinc/38/31/57/204383157.db2.gz VGQZZHKPDABZDB-LJQANCHMSA-N 0 0 398.478 3.322 50 0 GGAARN O=C(CCc1nnc(CCCCc2ccccc2)o1)N1CCCC[C@H]1CCO ZINC000012207393 204383349 /nfs/dbraw/zinc/38/33/49/204383349.db2.gz IDXCKOUYHZFKQM-IBGZPJMESA-N 0 0 385.508 3.331 50 0 GGAARN C[C@@H](C(=O)NCc1cccnc1Oc1cccc(C(F)(F)F)c1)n1cncn1 ZINC000012207131 204383721 /nfs/dbraw/zinc/38/37/21/204383721.db2.gz BQYSVZQDQZEUIZ-LBPRGKRZSA-N 0 0 391.353 3.362 50 0 GGAARN COc1ccc(CN2CCN(C(=O)c3cc4cc(C)ccc4[nH]3)CCC2=O)cc1 ZINC000012217993 204384024 /nfs/dbraw/zinc/38/40/24/204384024.db2.gz DTQOFVFPZOPOMI-UHFFFAOYSA-N 0 0 391.471 3.360 50 0 GGAARN COc1cccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(OC)cc(OC)c3)C2)c1 ZINC000012208666 204384070 /nfs/dbraw/zinc/38/40/70/204384070.db2.gz PHPGGGSMHQPTIR-MRXNPFEDSA-N 0 0 383.444 3.448 50 0 GGAARN CN(C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C)C1=O)C(C1CC1)C1CC1 ZINC000012212723 204384536 /nfs/dbraw/zinc/38/45/36/204384536.db2.gz MJWXEOMGYZOUCX-OAQYLSRUSA-N 0 0 388.895 3.004 50 0 GGAARN COc1cc(CN(Cc2cccnc2)C(=O)C(C)C)ccc1O[C@H]1CCOC1 ZINC000012243686 204386863 /nfs/dbraw/zinc/38/68/63/204386863.db2.gz ZGHZBISLNLTENN-IBGZPJMESA-N 0 0 384.476 3.443 50 0 GGAARN Cc1cnnn1-c1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)cc1 ZINC000012274074 204388004 /nfs/dbraw/zinc/38/80/04/204388004.db2.gz LEVJHHDRGZCSGX-UHFFFAOYSA-N 0 0 387.447 3.334 50 0 GGAARN COc1ccc(Cl)cc1-n1nnc(C(=O)N2CCc3ccccc3C2)c1C ZINC000012274269 204388192 /nfs/dbraw/zinc/38/81/92/204388192.db2.gz HRFCVFKVZLBYMJ-UHFFFAOYSA-N 0 0 382.851 3.436 50 0 GGAARN COc1ccc(-c2ccnc(-n3ncc(C(=O)N(C)C)c3C3CC3)n2)cc1F ZINC000012281088 204389011 /nfs/dbraw/zinc/38/90/11/204389011.db2.gz CJVBTHYTJRAPPD-UHFFFAOYSA-N 0 0 381.411 3.056 50 0 GGAARN COc1ccc(CCNC(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1 ZINC000012296698 204389398 /nfs/dbraw/zinc/38/93/98/204389398.db2.gz LDNQTNSRTAYQMZ-NRFANRHFSA-N 0 0 393.487 3.290 50 0 biogenic GGAARN Cc1cc2c(c(-c3cnccn3)c1)O[C@@H](CNC(=O)Cc1cc(F)ccc1F)C2 ZINC000012279315 204389434 /nfs/dbraw/zinc/38/94/34/204389434.db2.gz FSYLSOZLPVIDNX-QGZVFWFLSA-N 0 0 395.409 3.393 50 0 GGAARN COC(=O)CCC(=O)NC[C@@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1 ZINC000012278805 204389544 /nfs/dbraw/zinc/38/95/44/204389544.db2.gz GADCPUVEUXDHSP-AWEZNQCLSA-N 0 0 379.865 3.441 50 0 GGAARN O=C(CC[C@]1(Cc2cccs2)CCC(=O)N1)NC[C@H]1OCCc2ccccc21 ZINC000012280034 204390019 /nfs/dbraw/zinc/39/00/19/204390019.db2.gz QLUVOVSJZSVHNU-DENIHFKCSA-N 0 0 398.528 3.150 50 0 GGAARN Cc1cnc(CNC(=O)C[C@H](c2ccccc2)c2ccc3c(c2)OCO3)cn1 ZINC000012298893 204390245 /nfs/dbraw/zinc/39/02/45/204390245.db2.gz BUMLUKFCOANDAI-LJQANCHMSA-N 0 0 375.428 3.352 50 0 GGAARN CN(Cc1ccncn1)C(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000012300798 204390443 /nfs/dbraw/zinc/39/04/43/204390443.db2.gz LWARESKFXPIEKR-IBGZPJMESA-N 0 0 375.428 3.386 50 0 GGAARN O=C(CCc1ccsc1)N1CC[C@]2(C1)CCCN(Cc1cccnc1)C2=O ZINC000012297532 204390683 /nfs/dbraw/zinc/39/06/83/204390683.db2.gz HAZHTUJTYRUFFU-NRFANRHFSA-N 0 0 383.517 3.117 50 0 GGAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC[C@@H](CCC(=O)NC2CC2)C1 ZINC000012301353 204390787 /nfs/dbraw/zinc/39/07/87/204390787.db2.gz NPFQVJHSHPJNSK-HNNXBMFYSA-N 0 0 385.483 3.455 50 0 GGAARN CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1coc(COc2ccc(F)cc2)n1 ZINC000012298429 204390979 /nfs/dbraw/zinc/39/09/79/204390979.db2.gz VUYOWFKXMUTAPJ-KRWDZBQOSA-N 0 0 382.391 3.468 50 0 GGAARN COc1ccc(N[C@@H]2CCCN(C(=O)CSc3ccccn3)C2)cc1OC ZINC000012298868 204391074 /nfs/dbraw/zinc/39/10/74/204391074.db2.gz DWORHGMQLRGJAE-MRXNPFEDSA-N 0 0 387.505 3.294 50 0 GGAARN C[C@@H](Cn1cncn1)NC(=O)c1csc2nc(-c3cccc(Cl)c3)cn12 ZINC000012300646 204391201 /nfs/dbraw/zinc/39/12/01/204391201.db2.gz MEAZRNDLWJPGJL-NSHDSACASA-N 0 0 386.868 3.126 50 0 GGAARN COc1cc(Cl)ccc1OCc1cc(C(=O)N2CCC[C@H](OC)C2)no1 ZINC000012299573 204391347 /nfs/dbraw/zinc/39/13/47/204391347.db2.gz GSCOCNPFOCVSGD-ZDUSSCGKSA-N 0 0 380.828 3.167 50 0 GGAARN Cc1cc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccc(C(C)C)cc2)C3=O)[nH]n1 ZINC000012300564 204391418 /nfs/dbraw/zinc/39/14/18/204391418.db2.gz AWXACFRQSSSILL-HSZRJFAPSA-N 0 0 394.519 3.496 50 0 GGAARN Cc1nc(C)n(CC(=O)N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000012300591 204391856 /nfs/dbraw/zinc/39/18/56/204391856.db2.gz NFDWBEWTIZCRDB-OAHLLOKOSA-N 0 0 394.397 3.035 50 0 GGAARN O=C(CCc1nnc(-c2ccsc2)o1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000012299359 204391950 /nfs/dbraw/zinc/39/19/50/204391950.db2.gz ZFJSVOTXYIQARH-KRWDZBQOSA-N 0 0 398.488 3.334 50 0 GGAARN CCn1ccnc1CNC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 ZINC000012301609 204392070 /nfs/dbraw/zinc/39/20/70/204392070.db2.gz FGAGARXGNCHTLA-UHFFFAOYSA-N 0 0 394.353 3.419 50 0 GGAARN 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/nfs/dbraw/zinc/01/37/52/205013752.db2.gz UPPAKMTZRHYHSN-UHFFFAOYSA-N 0 0 381.432 3.197 50 0 GGAARN COCC(=O)N(Cc1cc(-c2ccc(OC)cc2OC)on1)Cc1ccco1 ZINC000036001799 205000992 /nfs/dbraw/zinc/00/09/92/205000992.db2.gz BPBNSHJTOUTQEG-UHFFFAOYSA-N 0 0 386.404 3.127 50 0 GGAARN Cc1nnc(NC(=O)CSCc2nc3sc(C(C)C)cc3c(=O)[nH]2)s1 ZINC000036359025 205013878 /nfs/dbraw/zinc/01/38/78/205013878.db2.gz LIEQXMPIJKCDPH-UHFFFAOYSA-N 0 0 395.535 3.140 50 0 GGAARN COC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(C)=O ZINC000036077468 205003689 /nfs/dbraw/zinc/00/36/89/205003689.db2.gz JHLYIQCREMGRSI-SFHVURJKSA-N 0 0 391.265 3.260 50 0 GGAARN O=c1c2cnc3nc(C(F)(F)F)nn3c2ccn1-c1ccc(F)c(Cl)c1 ZINC000036125510 205007844 /nfs/dbraw/zinc/00/78/44/205007844.db2.gz QFRLHPZLROQJQZ-UHFFFAOYSA-N 0 0 383.692 3.240 50 0 GGAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc3nc(C)c(C)nc3c1)CC2 ZINC000036139388 205008114 /nfs/dbraw/zinc/00/81/14/205008114.db2.gz YJHQAWPAJOINGV-UHFFFAOYSA-N 0 0 377.444 3.462 50 0 biogenic GGAARN COc1ccc(CNC(=O)c2c3cnn(C(C)C)c3nc3c2CCC3)cc1OC ZINC000036364972 205013995 /nfs/dbraw/zinc/01/39/95/205013995.db2.gz QDRSQEVIDUPDCN-UHFFFAOYSA-N 0 0 394.475 3.448 50 0 GGAARN O=C(Nc1nnc([C@@H]2CCCO2)s1)c1cc(=O)c(OCc2ccccc2)co1 ZINC000036354502 205014030 /nfs/dbraw/zinc/01/40/30/205014030.db2.gz QVSMRCHQTVMQKP-AWEZNQCLSA-N 0 0 399.428 3.174 50 0 GGAARN COc1cccc(-c2noc(-c3ccc(S(=O)(=O)NC(C)(C)C)o3)n2)c1 ZINC000036354105 205012072 /nfs/dbraw/zinc/01/20/72/205012072.db2.gz UYYDCPZDBBPIJM-UHFFFAOYSA-N 0 0 377.422 3.082 50 0 GGAARN CC(C)Oc1cccc(-c2noc(-c3ccc(S(=O)(=O)N(C)C)o3)n2)c1 ZINC000036359639 205014069 /nfs/dbraw/zinc/01/40/69/205014069.db2.gz SUNXOCVHBKMWDS-UHFFFAOYSA-N 0 0 377.422 3.034 50 0 GGAARN CC[C@@H](C)N1C(=O)c2ccc(C(=O)Nc3nnc(C(C)(C)C)s3)cc2C1=O ZINC000036353926 205012874 /nfs/dbraw/zinc/01/28/74/205012874.db2.gz JHFDOSFBAQIJKO-SNVBAGLBSA-N 0 0 386.477 3.482 50 0 GGAARN CCn1nc(C)c(-c2nn3c(nnc3-c3ccc(OC)c(OC)c3)s2)c1C ZINC000036353035 205012887 /nfs/dbraw/zinc/01/28/87/205012887.db2.gz YAOPBFJLWKNKFQ-UHFFFAOYSA-N 0 0 384.465 3.370 50 0 GGAARN c1ccc(-c2ccc(-c3nn4c(CN5CCOCC5)nnc4s3)cc2)cc1 ZINC000036353683 205013277 /nfs/dbraw/zinc/01/32/77/205013277.db2.gz CXEOBARDKHFYEA-UHFFFAOYSA-N 0 0 377.473 3.352 50 0 GGAARN CN(C)c1nc2ncnc(SCC(=O)NCc3ccc(Cl)cc3)c2s1 ZINC000035532695 204993531 /nfs/dbraw/zinc/99/35/31/204993531.db2.gz KFPYTXIKSSHCSW-UHFFFAOYSA-N 0 0 393.925 3.214 50 0 GGAARN COc1ccc(-n2nnnc2C2(Nc3ccc4c(c3)OCO4)CCCC2)cc1 ZINC000035622170 204995021 /nfs/dbraw/zinc/99/50/21/204995021.db2.gz RAHXXNBRUNPYRA-UHFFFAOYSA-N 0 0 379.420 3.281 50 0 GGAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 ZINC000038849599 205040134 /nfs/dbraw/zinc/04/01/34/205040134.db2.gz FVINMXUAWJORME-KRWDZBQOSA-N 0 0 394.880 3.204 50 0 GGAARN COC(=O)CCCNC(=O)Cc1c(C)n(C(C)C)c2c1C(=O)CC(C)(C)C2 ZINC000039355407 205040198 /nfs/dbraw/zinc/04/01/98/205040198.db2.gz FIGPPYBCNXNEBR-UHFFFAOYSA-N 0 0 376.497 3.144 50 0 GGAARN Cc1cccc(-n2ccnc2CN2CCN(Cc3cccs3)[C@H](CCO)C2)c1 ZINC000039363296 205040575 /nfs/dbraw/zinc/04/05/75/205040575.db2.gz VNFBNOAWOXFKLO-HXUWFJFHSA-N 0 0 396.560 3.311 50 0 GGAARN CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(F)cc2)Oc2ccc(Cl)cc21 ZINC000038849319 205040877 /nfs/dbraw/zinc/04/08/77/205040877.db2.gz AILNHBAAJVFDTP-INIZCTEOSA-N 0 0 398.843 3.035 50 0 GGAARN CS(=O)(=O)n1c2ccccc2c(N)c1C(=O)c1ccc(Br)cc1 ZINC000039162331 205040939 /nfs/dbraw/zinc/04/09/39/205040939.db2.gz SUJKLZIXIXTIGC-UHFFFAOYSA-N 0 0 393.262 3.025 50 0 GGAARN Cc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1Cl ZINC000038849709 205041244 /nfs/dbraw/zinc/04/12/44/205041244.db2.gz SZSAOZKHOYLOES-QGZVFWFLSA-N 0 0 394.880 3.204 50 0 GGAARN CCCOC(=O)c1ccc(NC(=O)c2c3c(sc2-n2cnnn2)CCC3)cc1 ZINC000036357665 205014186 /nfs/dbraw/zinc/01/41/86/205014186.db2.gz WQRJSSWIKFNNSK-UHFFFAOYSA-N 0 0 397.460 3.032 50 0 GGAARN COc1ccccc1N1CCN(C(=O)Cn2cc(C(C)=O)c3ccccc32)CC1 ZINC000036358646 205014285 /nfs/dbraw/zinc/01/42/85/205014285.db2.gz 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205015456 /nfs/dbraw/zinc/01/54/56/205015456.db2.gz RPLFFPYVCYAGRT-UHFFFAOYSA-N 0 0 377.447 3.140 50 0 GGAARN O=C(Cn1ccc2ccc(Br)cc21)N1CCN(c2ccccn2)CC1 ZINC000036366229 205015467 /nfs/dbraw/zinc/01/54/67/205015467.db2.gz PVXPDFXGQYPNGQ-UHFFFAOYSA-N 0 0 399.292 3.148 50 0 GGAARN Fc1ccc(Cc2nnc3sc(-c4n[nH]cc4Br)nn23)cc1 ZINC000036365689 205015485 /nfs/dbraw/zinc/01/54/85/205015485.db2.gz RMUCJGPUHVTRKA-UHFFFAOYSA-N 0 0 379.218 3.068 50 0 GGAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@H](C)Cn3cc(Cl)cn3)c12 ZINC000036612177 205017426 /nfs/dbraw/zinc/01/74/26/205017426.db2.gz RUFDVEWGRYACAK-NSHDSACASA-N 0 0 386.887 3.070 50 0 GGAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCc3cnn(C)c3C)c12 ZINC000036614161 205017532 /nfs/dbraw/zinc/01/75/32/205017532.db2.gz FKXSKBVGBBEOKH-UHFFFAOYSA-N 0 0 379.395 3.309 50 0 GGAARN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)NCc1cccc(Cl)c1 ZINC000036597265 205017774 /nfs/dbraw/zinc/01/77/74/205017774.db2.gz WMNZDPTXYABFPL-QGZVFWFLSA-N 0 0 385.851 3.061 50 0 GGAARN Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(Cc4cccs4)CC3)c12 ZINC000036613847 205018058 /nfs/dbraw/zinc/01/80/58/205018058.db2.gz QJECYAWDAOQWOA-UHFFFAOYSA-N 0 0 382.489 3.428 50 0 GGAARN O=C(CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000036602016 205018106 /nfs/dbraw/zinc/01/81/06/205018106.db2.gz UJKABAHXRRTECO-QGZVFWFLSA-N 0 0 385.851 3.426 50 0 GGAARN CCn1ccc(CN(C)c2nc(-c3cnn(CC)c3C)cc(C(F)F)n2)n1 ZINC000036613716 205018331 /nfs/dbraw/zinc/01/83/31/205018331.db2.gz XWLYZBQSYVYNHH-UHFFFAOYSA-N 0 0 375.427 3.459 50 0 GGAARN CCn1nccc1[C@H](C)NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C ZINC000036616372 205018404 /nfs/dbraw/zinc/01/84/04/205018404.db2.gz KYPULADQCZUUGR-LBPRGKRZSA-N 0 0 378.436 3.244 50 0 GGAARN O=C(Nc1ncn(Cc2ccccc2)n1)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000036615452 205018434 /nfs/dbraw/zinc/01/84/34/205018434.db2.gz KMCSBVIPJHETQJ-INIZCTEOSA-N 0 0 399.813 3.251 50 0 GGAARN C[C@H](CCc1ccco1)NC(=O)c1cc(-c2ccc(F)cc2)nc2ncnn21 ZINC000036619262 205018611 /nfs/dbraw/zinc/01/86/11/205018611.db2.gz NDOAYVBFTNAVBM-CYBMUJFWSA-N 0 0 379.395 3.275 50 0 GGAARN Cc1cc(C(=O)Nc2cnn(Cc3ccccc3Cl)c2)c2cnn(C)c2n1 ZINC000036615954 205018738 /nfs/dbraw/zinc/01/87/38/205018738.db2.gz WVJBKYRMCVJAEU-UHFFFAOYSA-N 0 0 380.839 3.427 50 0 GGAARN CCCCn1nc(NC(=O)c2cc(-c3ccccc3)nc3ncnn32)cc1C ZINC000036618993 205018750 /nfs/dbraw/zinc/01/87/50/205018750.db2.gz NVEDSUFWISAZLQ-UHFFFAOYSA-N 0 0 375.436 3.349 50 0 GGAARN Cc1noc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)Nc3nncs3)c12 ZINC000036618329 205018879 /nfs/dbraw/zinc/01/88/79/205018879.db2.gz FHGPCAVIEMPIIP-UHFFFAOYSA-N 0 0 381.373 3.031 50 0 GGAARN CCn1nc(C)c(S(=O)(=O)NCc2ccccc2N2CCC(C)CC2)c1C ZINC000036614702 205018888 /nfs/dbraw/zinc/01/88/88/205018888.db2.gz IFXIRTMJXAQZJE-UHFFFAOYSA-N 0 0 390.553 3.235 50 0 GGAARN CCn1ccc(-c2cc(C(=O)N[C@@H](C)c3ccn(CC)n3)c3c(C)noc3n2)n1 ZINC000036617963 205018960 /nfs/dbraw/zinc/01/89/60/205018960.db2.gz RGZICFCVYAAKNW-LBPRGKRZSA-N 0 0 393.451 3.122 50 0 GGAARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cc(C)nc2ncnn21 ZINC000036619288 205018990 /nfs/dbraw/zinc/01/89/90/205018990.db2.gz OWJBKGVORUFVBR-UHFFFAOYSA-N 0 0 395.854 3.200 50 0 GGAARN Cc1cc(C(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)c2cnn(C)c2n1 ZINC000036615794 205019207 /nfs/dbraw/zinc/01/92/07/205019207.db2.gz WGQLKGWAMMDVCV-UHFFFAOYSA-N 0 0 380.839 3.427 50 0 GGAARN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@@H](C)C2)c2c(C)nn(C)c2n1 ZINC000036616849 205019297 /nfs/dbraw/zinc/01/92/97/205019297.db2.gz LMNYDAUXRIVDMQ-GFCCVEGCSA-N 0 0 380.496 3.166 50 0 GGAARN Cc1nn(Cc2cccc3ccccc32)c(C)c1NC(=O)c1nc2ncccn2n1 ZINC000036618811 205019383 /nfs/dbraw/zinc/01/93/83/205019383.db2.gz YFZLANYSPNBJHU-UHFFFAOYSA-N 0 0 397.442 3.391 50 0 GGAARN COc1ccc(OCc2nnc3sc([C@H]4COc5ccccc5O4)nn23)cc1 ZINC000036646001 205020051 /nfs/dbraw/zinc/02/00/51/205020051.db2.gz QSTMJQMVJKJFME-MRXNPFEDSA-N 0 0 396.428 3.286 50 0 GGAARN Cc1nnsc1C(=O)Nc1ccn(Cc2ccc(Br)cc2)n1 ZINC000036621557 205020072 /nfs/dbraw/zinc/02/00/72/205020072.db2.gz AFGBYFHJHLHKTA-UHFFFAOYSA-N 0 0 378.255 3.106 50 0 GGAARN COc1ccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)cc1 ZINC000036714608 205020086 /nfs/dbraw/zinc/02/00/86/205020086.db2.gz VEIWVUANIJUHES-UHFFFAOYSA-N 0 0 387.480 3.161 50 0 GGAARN CC(C)n1cc2c(n1)n(CCC(=O)NC1CCCC1)c(=O)cc2C(F)(F)F ZINC000036621575 205020138 /nfs/dbraw/zinc/02/01/38/205020138.db2.gz UHDGDQIKBKMLIP-UHFFFAOYSA-N 0 0 384.402 3.247 50 0 GGAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccccc2)c1 ZINC000040309657 205021600 /nfs/dbraw/zinc/02/16/00/205021600.db2.gz ZZBYXMANTWDEBO-IBGZPJMESA-N 0 0 376.416 3.376 50 0 biogenic GGAARN NC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)cc1 ZINC000036741965 205021759 /nfs/dbraw/zinc/02/17/59/205021759.db2.gz TUYOYPIRINZZHB-UHFFFAOYSA-N 0 0 389.390 3.153 50 0 GGAARN COC(=O)c1cccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccccc2)c1 ZINC000040309659 205022118 /nfs/dbraw/zinc/02/21/18/205022118.db2.gz ZZBYXMANTWDEBO-LJQANCHMSA-N 0 0 376.416 3.376 50 0 biogenic GGAARN COc1cccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)c1 ZINC000040309239 205022139 /nfs/dbraw/zinc/02/21/39/205022139.db2.gz UUJMKTBGYVYHHU-QFIPXVFZSA-N 0 0 393.443 3.021 50 0 biogenic GGAARN Cc1cccc(-n2ccnc2CN2CCN(Cc3ccsc3)[C@H](CCO)C2)c1 ZINC000039509224 205041903 /nfs/dbraw/zinc/04/19/03/205041903.db2.gz XEOFIKJYIHHXIE-OAQYLSRUSA-N 0 0 396.560 3.311 50 0 GGAARN CN(CC(=O)N1CCN(c2ccccc2F)CC1)c1nc2ccccc2s1 ZINC000070640831 205022797 /nfs/dbraw/zinc/02/27/97/205022797.db2.gz XPSUUUHCKCJJHH-UHFFFAOYSA-N 0 0 384.480 3.220 50 0 GGAARN O=S(=O)(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1Cl ZINC000070640106 205023230 /nfs/dbraw/zinc/02/32/30/205023230.db2.gz QAEBVIALQIFUBD-CYBMUJFWSA-N 0 0 379.787 3.371 50 0 GGAARN O=C(CN1CCC(COCc2ccccc2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000070637167 205023382 /nfs/dbraw/zinc/02/33/82/205023382.db2.gz WPSBCXYBNUTLJV-UHFFFAOYSA-N 0 0 396.487 3.325 50 0 GGAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(-n2cccn2)nn1 ZINC000070641273 205023439 /nfs/dbraw/zinc/02/34/39/205023439.db2.gz FMDCXEUWNPHIOG-UHFFFAOYSA-N 0 0 387.428 3.291 50 0 GGAARN COc1ccc(NC(=O)C(=O)NC[C@@H](O)c2cccc3ccccc32)cc1Cl ZINC000070636257 205023499 /nfs/dbraw/zinc/02/34/99/205023499.db2.gz TXJQZJUNQLJCEU-GOSISDBHSA-N 0 0 398.846 3.290 50 0 GGAARN COc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000070640111 205023501 /nfs/dbraw/zinc/02/35/01/205023501.db2.gz RKTRHPATBRGXBF-OAHLLOKOSA-N 0 0 389.395 3.034 50 0 GGAARN O=S(=O)(NC[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(F)c(Cl)c1 ZINC000070636472 205023602 /nfs/dbraw/zinc/02/36/02/205023602.db2.gz IUIJUWZJGIZDEH-AWEZNQCLSA-N 0 0 397.777 3.208 50 0 GGAARN O=C(NCCn1cnc(-c2ccccc2)cc1=O)c1ccccc1Br ZINC000070655837 205023694 /nfs/dbraw/zinc/02/36/94/205023694.db2.gz DKKIECSXCBHMOG-UHFFFAOYSA-N 0 0 398.260 3.103 50 0 GGAARN O=C(NCC1CCN(C(=O)c2ccncc2)CC1)c1c(F)cccc1Cl ZINC000070925861 205024101 /nfs/dbraw/zinc/02/41/01/205024101.db2.gz YCHFRKIYTSYEOP-UHFFFAOYSA-N 0 0 375.831 3.156 50 0 GGAARN COc1ccc2[nH]cc(CCNC(=O)Cn3ccc4c3cccc4OC)c2c1 ZINC000070666543 205024877 /nfs/dbraw/zinc/02/48/77/205024877.db2.gz BUTZXRYDFQGYIY-UHFFFAOYSA-N 0 0 377.444 3.499 50 0 biogenic GGAARN Cc1cccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1C ZINC000070964885 205025007 /nfs/dbraw/zinc/02/50/07/205025007.db2.gz WWSFEODIIIKTSU-MRXNPFEDSA-N 0 0 380.366 3.111 50 0 GGAARN O=C(CSc1ccc(-n2ccnc2)nn1)Nc1ccc(OC(F)(F)F)cc1 ZINC000070688629 205025040 /nfs/dbraw/zinc/02/50/40/205025040.db2.gz YWWYCWYDKNBHJV-UHFFFAOYSA-N 0 0 395.366 3.292 50 0 GGAARN CC(C)OC(=O)C1(C(=O)OC(C)C)CC2(C1)COC(c1ccccc1)OC2 ZINC000070697739 205025107 /nfs/dbraw/zinc/02/51/07/205025107.db2.gz BKEBXTTWQVTWHG-UHFFFAOYSA-N 0 0 376.449 3.402 50 0 GGAARN COc1ccc(Br)c(C(=O)NC[C@@](O)(c2ccccc2)C2CC2)c1 ZINC000070967178 205025157 /nfs/dbraw/zinc/02/51/57/205025157.db2.gz DZQQGTUCWZIVTJ-LJQANCHMSA-N 0 0 390.277 3.485 50 0 GGAARN COc1cc(/C=C/C(=O)NC[C@](O)(c2ccccc2)C2CC2)cc(OC)c1OC ZINC000070967287 205025860 /nfs/dbraw/zinc/02/58/60/205025860.db2.gz IOKFMQJATRNTNT-SRLUVNLFSA-N 0 0 397.471 3.140 50 0 GGAARN COC(=O)c1ccc(C)c(NC(=O)N2CCc3[nH]cnc3[C@H]2c2cccnc2)c1 ZINC000040313157 205030212 /nfs/dbraw/zinc/03/02/12/205030212.db2.gz UQIBRVIRNQLSHJ-LJQANCHMSA-N 0 0 391.431 3.079 50 0 biogenic GGAARN Cc1nn(C(C)C)c(C)c1NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O ZINC000072326210 205030640 /nfs/dbraw/zinc/03/06/40/205030640.db2.gz VNVZHXZKHAFGET-MRXNPFEDSA-N 0 0 383.452 3.200 50 0 biogenic GGAARN O=C(CCc1nc2ccccc2[nH]c1=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000072325515 205030855 /nfs/dbraw/zinc/03/08/55/205030855.db2.gz GPCDAVZXPFVGCS-UHFFFAOYSA-N 0 0 394.862 3.349 50 0 biogenic GGAARN CCOC(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)c1c(O)cc(C)[nH]c1=O ZINC000072326070 205031176 /nfs/dbraw/zinc/03/11/76/205031176.db2.gz WPGDPCICJYUEJG-OAHLLOKOSA-N 0 0 389.448 3.270 50 0 biogenic GGAARN O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1cccc(Br)c1 ZINC000077099706 205032057 /nfs/dbraw/zinc/03/20/57/205032057.db2.gz YBDUUNVQVRNWHZ-UHFFFAOYSA-N 0 0 391.265 3.324 50 0 GGAARN Cc1cc(C(F)(F)F)nc(CCNS(=O)(=O)c2ccc3c(c2)CCCC3)n1 ZINC000077101119 205032177 /nfs/dbraw/zinc/03/21/77/205032177.db2.gz LMGBTJOYUAXHOW-UHFFFAOYSA-N 0 0 399.438 3.204 50 0 GGAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@]1(O)CCOc2ccccc21 ZINC000077099958 205032308 /nfs/dbraw/zinc/03/23/08/205032308.db2.gz CZHWDBLBPTWYDX-HXUWFJFHSA-N 0 0 375.852 3.284 50 0 GGAARN O=C(Nc1cccc2cccnc21)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 ZINC000077100401 205032313 /nfs/dbraw/zinc/03/23/13/205032313.db2.gz FITKLWARZWGCBH-UHFFFAOYSA-N 0 0 384.321 3.482 50 0 GGAARN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(c3cccs3)CC2)cc1 ZINC000077099776 205032318 /nfs/dbraw/zinc/03/23/18/205032318.db2.gz IXSRFGJFCIUZGA-UHFFFAOYSA-N 0 0 378.519 3.018 50 0 GGAARN CCN(C(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1)c1ccccc1 ZINC000077100441 205032328 /nfs/dbraw/zinc/03/23/28/205032328.db2.gz HUSXBAXXMDDCKX-UHFFFAOYSA-N 0 0 377.326 3.228 50 0 GGAARN CSc1ccc(NC(=O)c2nnn(-c3ccc(Br)cc3)n2)cc1 ZINC000077100482 205032555 /nfs/dbraw/zinc/03/25/55/205032555.db2.gz LAFWREFJYKEAJT-UHFFFAOYSA-N 0 0 390.266 3.399 50 0 GGAARN O=C(Nc1nc2c(s1)CCCC2)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 ZINC000077100356 205032557 /nfs/dbraw/zinc/03/25/57/205032557.db2.gz AGTYBGVFGLKCBI-UHFFFAOYSA-N 0 0 394.382 3.269 50 0 GGAARN O=C(Nc1ccccc1Cl)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000077100445 205032651 /nfs/dbraw/zinc/03/26/51/205032651.db2.gz VELJTZNINAFMFJ-UHFFFAOYSA-N 0 0 383.717 3.467 50 0 GGAARN CC[C@@H](C(=O)Nc1ccccc1OC)n1cccc(-c2nc(C3CC3)no2)c1=O ZINC000077100840 205032692 /nfs/dbraw/zinc/03/26/92/205032692.db2.gz ALUJBQVZMBUHCM-INIZCTEOSA-N 0 0 394.431 3.374 50 0 GGAARN CCc1ccccc1NC(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000077100444 205032696 /nfs/dbraw/zinc/03/26/96/205032696.db2.gz WDJISJVADRJAGD-UHFFFAOYSA-N 0 0 377.326 3.376 50 0 GGAARN Cc1cc(C(F)(F)F)nc(CCNS(=O)(=O)c2ccc(F)c(Cl)c2)n1 ZINC000077101118 205032725 /nfs/dbraw/zinc/03/27/25/205032725.db2.gz PAVAAFPGXJORIH-UHFFFAOYSA-N 0 0 397.781 3.117 50 0 GGAARN CSc1ccccc1C(=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O ZINC000077100617 205032807 /nfs/dbraw/zinc/03/28/07/205032807.db2.gz ALCPPXSBTILLOQ-UHFFFAOYSA-N 0 0 394.500 3.063 50 0 GGAARN COc1nn(C)cc1C(=O)Nc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1 ZINC000077180411 205033119 /nfs/dbraw/zinc/03/31/19/205033119.db2.gz FDQZWSSVFZLGJV-AWEZNQCLSA-N 0 0 390.443 3.272 50 0 GGAARN COc1ccc(F)cc1S(=O)(=O)NCCN1CCC(c2cccs2)CC1 ZINC000077104175 205033141 /nfs/dbraw/zinc/03/31/41/205033141.db2.gz LHNVOENMVJSOLN-UHFFFAOYSA-N 0 0 398.525 3.054 50 0 GGAARN O=S(=O)(/C=C/c1ccccc1)N1CC(c2nc(Cc3ccccc3)no2)C1 ZINC000077190771 205033169 /nfs/dbraw/zinc/03/31/69/205033169.db2.gz UERQYMAXCZKXQE-VAWYXSNFSA-N 0 0 381.457 3.060 50 0 GGAARN O=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)OCO2 ZINC000077101185 205033194 /nfs/dbraw/zinc/03/31/94/205033194.db2.gz YZHDBEWDUKYDTH-UHFFFAOYSA-N 0 0 394.353 3.466 50 0 GGAARN COc1nn(C)cc1C(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000077180401 205033681 /nfs/dbraw/zinc/03/36/81/205033681.db2.gz VBTCZNLIDNSARX-AWEZNQCLSA-N 0 0 378.432 3.172 50 0 GGAARN CCOc1ccccc1NC(=O)C(=O)NCC[C@H](O)c1cccc2ccccc21 ZINC000077118548 205033778 /nfs/dbraw/zinc/03/37/78/205033778.db2.gz AYPYFFFNRFZGPR-FQEVSTJZSA-N 0 0 392.455 3.417 50 0 GGAARN O=S(=O)(c1ccc2c(c1)CCCC2)N(CC(F)(F)F)C1CCOCC1 ZINC000077158571 205033800 /nfs/dbraw/zinc/03/38/00/205033800.db2.gz GBOVOZYTWKETES-UHFFFAOYSA-N 0 0 377.428 3.297 50 0 GGAARN O=S(=O)(/C=C/c1ccccc1)N1CC(c2nc(Cc3cccs3)no2)C1 ZINC000077190805 205033843 /nfs/dbraw/zinc/03/38/43/205033843.db2.gz PCTMQAXQVGGVJE-CSKARUKUSA-N 0 0 387.486 3.122 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)NCCNc1cc(-n2cccc2)ncn1 ZINC000077101393 205033882 /nfs/dbraw/zinc/03/38/82/205033882.db2.gz YSAOWGOAZIRRMF-UHFFFAOYSA-N 0 0 386.843 3.163 50 0 GGAARN COc1ccccc1OCC(=O)NCCc1nc(C2CC2)cc(C(F)(F)F)n1 ZINC000077101151 205033938 /nfs/dbraw/zinc/03/39/38/205033938.db2.gz XSWAGVOQEFWHTI-UHFFFAOYSA-N 0 0 395.381 3.119 50 0 GGAARN O=C(CCc1csc(NC(=O)c2ccco2)n1)NCc1nc2ccccc2[nH]1 ZINC000077171603 205034093 /nfs/dbraw/zinc/03/40/93/205034093.db2.gz FMRURBYAJYZFTE-UHFFFAOYSA-N 0 0 395.444 3.114 50 0 GGAARN COc1nn(C)cc1C(=O)Nc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000077180407 205034103 /nfs/dbraw/zinc/03/41/03/205034103.db2.gz FDQZWSSVFZLGJV-CQSZACIVSA-N 0 0 390.443 3.272 50 0 GGAARN C[C@@H](NC(=O)C(=O)NCC[C@H](O)c1cccc2ccccc21)c1ccccc1 ZINC000077118362 205034209 /nfs/dbraw/zinc/03/42/09/205034209.db2.gz WZYCTTYIJQEOMV-IERDGZPVSA-N 0 0 376.456 3.257 50 0 GGAARN C[C@](O)(CNC(=O)COc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 ZINC000077184501 205034228 /nfs/dbraw/zinc/03/42/28/205034228.db2.gz NVYVNWSPAIIVAO-SFHVURJKSA-N 0 0 398.242 3.125 50 0 GGAARN Cc1cc(S(=O)(=O)NCCN2CCC(c3cccs3)CC2)ccc1F ZINC000077104148 205034234 /nfs/dbraw/zinc/03/42/34/205034234.db2.gz HPINTALHNHQCQA-UHFFFAOYSA-N 0 0 382.526 3.354 50 0 GGAARN CCN(CC)c1ccc(NC(=O)c2cn(C[C@@H](O)c3ccccc3)nn2)c(C)c1 ZINC000077197174 205034373 /nfs/dbraw/zinc/03/43/73/205034373.db2.gz QKDNGLWGUPRTRP-OAQYLSRUSA-N 0 0 393.491 3.419 50 0 GGAARN O=S(=O)(NC1(c2nc(-c3cccnc3)no2)CCCCC1)c1cccs1 ZINC000077197487 205034447 /nfs/dbraw/zinc/03/44/47/205034447.db2.gz BOKWLHUMKSFORQ-UHFFFAOYSA-N 0 0 390.490 3.331 50 0 GGAARN O=C(CCc1ccccc1)N1CCN(Cc2nncn2C2CCCCC2)CC1 ZINC000077197350 205034521 /nfs/dbraw/zinc/03/45/21/205034521.db2.gz DMHWIHDDBBMIQP-UHFFFAOYSA-N 0 0 381.524 3.060 50 0 GGAARN CCOC(=O)CCC(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1 ZINC000077200286 205034631 /nfs/dbraw/zinc/03/46/31/205034631.db2.gz TUFYRDCGDNDYPQ-JKSUJKDBSA-N 0 0 380.416 3.145 50 0 GGAARN O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 ZINC000077198132 205034696 /nfs/dbraw/zinc/03/46/96/205034696.db2.gz SLBJACZDDZFWIK-AORWBKJGSA-N 0 0 387.383 3.269 50 0 GGAARN Cc1nnsc1C(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1 ZINC000077200350 205034712 /nfs/dbraw/zinc/03/47/12/205034712.db2.gz OYUSWIVDXCXYNY-UONOGXRCSA-N 0 0 378.429 3.275 50 0 GGAARN O=C(NC1(c2nc(-c3cccnc3)no2)CCCCC1)c1ccc2c(c1)OCO2 ZINC000077197446 205034716 /nfs/dbraw/zinc/03/47/16/205034716.db2.gz MXFOODKSOCBAOB-UHFFFAOYSA-N 0 0 392.415 3.450 50 0 GGAARN O=C(c1ccc2nccnc2c1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 ZINC000077197729 205034720 /nfs/dbraw/zinc/03/47/20/205034720.db2.gz VVEDMAAOKKJSBK-UHFFFAOYSA-N 0 0 377.326 3.051 50 0 GGAARN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 ZINC000077197691 205034876 /nfs/dbraw/zinc/03/48/76/205034876.db2.gz YSNYYCHLRJTUFS-UHFFFAOYSA-N 0 0 391.353 3.498 50 0 GGAARN O=S(=O)(/C=C/c1ccccc1)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 ZINC000077198130 205034921 /nfs/dbraw/zinc/03/49/21/205034921.db2.gz SLBJACZDDZFWIK-FROQITRMSA-N 0 0 387.383 3.269 50 0 GGAARN O=c1ccc(-c2nc(-c3ccncc3)no2)cn1Cc1noc(C2CCCC2)n1 ZINC000077200480 205035021 /nfs/dbraw/zinc/03/50/21/205035021.db2.gz YOOJNOQXCHXGRQ-UHFFFAOYSA-N 0 0 390.403 3.049 50 0 GGAARN O=C(NCCn1nc(C2CC2)n(-c2ccccc2)c1=O)c1ccc(Cl)s1 ZINC000077198003 205035027 /nfs/dbraw/zinc/03/50/27/205035027.db2.gz FAGNVFUMEGMHBQ-UHFFFAOYSA-N 0 0 388.880 3.056 50 0 GGAARN Cc1ccc(-n2nnc(C(=O)NCc3ccccn3)c2-c2ccncc2)cc1C ZINC000038651778 205036820 /nfs/dbraw/zinc/03/68/20/205036820.db2.gz IKENFFWVQWODPH-UHFFFAOYSA-N 0 0 384.443 3.271 50 0 GGAARN Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c1 ZINC000038528630 205036955 /nfs/dbraw/zinc/03/69/55/205036955.db2.gz MGTYMSNKOSQNIY-UHFFFAOYSA-N 0 0 380.496 3.129 50 0 GGAARN COc1ccc(-c2csc3c2ncn(CC(=O)NC2CCCC2)c3=O)cc1 ZINC000038487049 205037137 /nfs/dbraw/zinc/03/71/37/205037137.db2.gz KGOYFGNJJYNUEL-UHFFFAOYSA-N 0 0 383.473 3.192 50 0 GGAARN O=C(CCCc1ccccc1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000038528478 205037641 /nfs/dbraw/zinc/03/76/41/205037641.db2.gz DXHNIXSOBHBZOM-UHFFFAOYSA-N 0 0 393.535 3.138 50 0 GGAARN COc1ccc(-c2noc(-c3cn(C)c4ccc(F)cc4c3=O)n2)c(OC)c1 ZINC000038652996 205037921 /nfs/dbraw/zinc/03/79/21/205037921.db2.gz ZUQJTPHKLQYDDZ-UHFFFAOYSA-N 0 0 381.363 3.412 50 0 GGAARN CCSc1nc2ncc3c(ccn(-c4cc(Cl)ccc4OC)c3=O)n2n1 ZINC000038783770 205039112 /nfs/dbraw/zinc/03/91/12/205039112.db2.gz IQVDCMYMRUCIEE-UHFFFAOYSA-N 0 0 387.852 3.202 50 0 GGAARN COc1ccc(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)c(F)c1 ZINC000039430513 205042732 /nfs/dbraw/zinc/04/27/32/205042732.db2.gz 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O=c1c2nnc3c(-c4ccc(F)cc4)cnn3c2ccn1CCc1ccccc1 ZINC000040391401 205062598 /nfs/dbraw/zinc/06/25/98/205062598.db2.gz OROFSXQYEMJKAG-UHFFFAOYSA-N 0 0 385.402 3.488 50 0 GGAARN COc1ccc(Cn2ccc3c(nnc4c(-c5ccccc5)c(C)nn43)c2=O)cc1 ZINC000040390903 205063121 /nfs/dbraw/zinc/06/31/21/205063121.db2.gz REINKCWOKLTTCB-UHFFFAOYSA-N 0 0 397.438 3.472 50 0 GGAARN O=c1c2nnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1Cc1ccccn1 ZINC000040395867 205063779 /nfs/dbraw/zinc/06/37/79/205063779.db2.gz PREMZUGBQIVCAM-UHFFFAOYSA-N 0 0 388.818 3.203 50 0 GGAARN COCc1nn2c(ncc3c2ccn(C[C@H]2CCCO2)c3=O)c1-c1ccccc1 ZINC000040396524 205063831 /nfs/dbraw/zinc/06/38/31/205063831.db2.gz UCASNNQQQZYENY-MRXNPFEDSA-N 0 0 390.443 3.037 50 0 GGAARN Cc1nc2nc3ccn(C[C@H]4CCCO4)c(=O)c3c(-c3cccc(Cl)c3)n2n1 ZINC000040398369 205063839 /nfs/dbraw/zinc/06/38/39/205063839.db2.gz QRXQWJQSBJNOJP-OAHLLOKOSA-N 0 0 395.850 3.247 50 0 GGAARN COCCCn1ccc2c(nnc3c(-c4ccc(Cl)cc4)c(C)nn32)c1=O ZINC000040395967 205064070 /nfs/dbraw/zinc/06/40/70/205064070.db2.gz 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205067673 /nfs/dbraw/zinc/06/76/73/205067673.db2.gz IXEIXLBLSXZOQI-UHFFFAOYSA-N 0 0 385.851 3.255 50 0 GGAARN CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(SC)c2)c1=O ZINC000040478524 205068081 /nfs/dbraw/zinc/06/80/81/205068081.db2.gz YBXWLWVCOJHGGV-UHFFFAOYSA-N 0 0 397.500 3.324 50 0 GGAARN CCc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(F)cc3F)n2)cc1 ZINC000041253979 205078716 /nfs/dbraw/zinc/07/87/16/205078716.db2.gz NKWCPHNLXRUKGR-UHFFFAOYSA-N 0 0 397.425 3.457 50 0 GGAARN CCc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(F)cc3)n2)cc1 ZINC000041253978 205078769 /nfs/dbraw/zinc/07/87/69/205078769.db2.gz MPIHREASGSSCDI-UHFFFAOYSA-N 0 0 379.435 3.318 50 0 GGAARN CCc1ccc(CNC(=O)CCn2nc(-c3cccc(OC)c3)ccc2=O)cc1 ZINC000041254089 205078927 /nfs/dbraw/zinc/07/89/27/205078927.db2.gz ZHTGEVWGOQPQAF-UHFFFAOYSA-N 0 0 391.471 3.188 50 0 GGAARN O=C(Cn1ccc2cc(Br)ccc21)NCc1ccc2c(c1)OCO2 ZINC000041128061 205079008 /nfs/dbraw/zinc/07/90/08/205079008.db2.gz GBQGDPMJIXQRAL-UHFFFAOYSA-N 0 0 387.233 3.449 50 0 GGAARN 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COC(=O)CCCNC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000041097969 205076974 /nfs/dbraw/zinc/07/69/74/205076974.db2.gz UAPWAKNDHZZKNR-UHFFFAOYSA-N 0 0 397.859 3.244 50 0 GGAARN COC(=O)CCCNC(=O)c1nc(SCc2ccc(C)cc2)ncc1Cl ZINC000041097980 205077128 /nfs/dbraw/zinc/07/71/28/205077128.db2.gz YIBJILFIHVYYGK-UHFFFAOYSA-N 0 0 393.896 3.414 50 0 GGAARN COc1ccc(C(=O)NCCCc2nc(-c3ccc(F)cc3)no2)cc1OC ZINC000041097282 205077210 /nfs/dbraw/zinc/07/72/10/205077210.db2.gz ZRVOHLJWCRHNPK-UHFFFAOYSA-N 0 0 385.395 3.256 50 0 GGAARN O=C(CCn1nc(-c2cccc(Cl)c2)ccc1=O)NCCc1cccs1 ZINC000041253668 205077770 /nfs/dbraw/zinc/07/77/70/205077770.db2.gz COMUASNWHBVOED-UHFFFAOYSA-N 0 0 387.892 3.374 50 0 GGAARN CCOc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccc(F)cc3)n2)cc1 ZINC000041254359 205078410 /nfs/dbraw/zinc/07/84/10/205078410.db2.gz CNMLCJPWCGUWNA-UHFFFAOYSA-N 0 0 395.434 3.155 50 0 GGAARN COC(=O)CCCNC(=O)c1nc(SCc2cccc(C)c2)ncc1Cl ZINC000041154543 205078482 /nfs/dbraw/zinc/07/84/82/205078482.db2.gz AGYKFFHTGBONKC-UHFFFAOYSA-N 0 0 393.896 3.414 50 0 GGAARN O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccc(F)cc1 ZINC000041253748 205078508 /nfs/dbraw/zinc/07/85/08/205078508.db2.gz XTHDUVZXSFFCNR-UHFFFAOYSA-N 0 0 385.826 3.409 50 0 GGAARN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1nc2ccccc2[nH]1 ZINC000046223803 205105815 /nfs/dbraw/zinc/10/58/15/205105815.db2.gz LKQKMQCARNHPCH-YWZLYKJASA-N 0 0 376.460 3.429 50 0 GGAARN CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1nc2ccccc2[nH]1 ZINC000046223804 205105987 /nfs/dbraw/zinc/10/59/87/205105987.db2.gz LKQKMQCARNHPCH-MGPUTAFESA-N 0 0 376.460 3.429 50 0 GGAARN COC(=O)[C@H](CC(C)C)NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000049543620 205129231 /nfs/dbraw/zinc/12/92/31/205129231.db2.gz SHTUNONHKPATOT-KRWDZBQOSA-N 0 0 399.443 3.402 50 0 biogenic GGAARN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)N1CCN(c2nccs2)CC1 ZINC000047581449 205111918 /nfs/dbraw/zinc/11/19/18/205111918.db2.gz UNMIPFYGFPGJSM-QGZVFWFLSA-N 0 0 388.493 3.055 50 0 GGAARN Cc1cc(NC(=O)Cn2ccc(-c3cccc(F)c3)n2)n(-c2ccccn2)n1 ZINC000048140072 205112232 /nfs/dbraw/zinc/11/22/32/205112232.db2.gz VTUONLSZYGYXJP-UHFFFAOYSA-N 0 0 376.395 3.217 50 0 GGAARN O=C(c1ccc2occc2c1)N1CCC(n2cc(C3(O)CCCC3)nn2)CC1 ZINC000048194480 205114651 /nfs/dbraw/zinc/11/46/51/205114651.db2.gz XHHCJSXIQHURBL-UHFFFAOYSA-N 0 0 380.448 3.263 50 0 GGAARN Cc1cc(NC(=O)Cn2cc(-c3cccc(F)c3)cn2)n(-c2ccccn2)n1 ZINC000048187964 205114839 /nfs/dbraw/zinc/11/48/39/205114839.db2.gz RMBUSZZBWYAHDQ-UHFFFAOYSA-N 0 0 376.395 3.217 50 0 GGAARN O=C(c1ccc2[nH]ccc2c1)N1CCC(Cn2cc(-c3cccnc3)nn2)CC1 ZINC000048212308 205115353 /nfs/dbraw/zinc/11/53/53/205115353.db2.gz PCJISQBGKPRBDB-UHFFFAOYSA-N 0 0 386.459 3.374 50 0 GGAARN O=C(CCc1ccccc1)N1CCC[C@@H](Cn2cc(-c3cccnc3)nn2)C1 ZINC000048175369 205115622 /nfs/dbraw/zinc/11/56/22/205115622.db2.gz JDOSMZPDABVZCM-LJQANCHMSA-N 0 0 375.476 3.212 50 0 GGAARN COc1ccc(-c2ccc3c(ccn3CC(=O)Nc3cnn(C)n3)c2)cc1F ZINC000048261840 205116866 /nfs/dbraw/zinc/11/68/66/205116866.db2.gz OIUIZNKXFOTYLN-UHFFFAOYSA-N 0 0 379.395 3.223 50 0 GGAARN O=C(NCc1ccco1)Nc1ccc(NC(=O)c2cc3c(cc2O)OCO3)cc1 ZINC000048314586 205119776 /nfs/dbraw/zinc/11/97/76/205119776.db2.gz ZPQOREZCUFTJPY-UHFFFAOYSA-N 0 0 395.371 3.288 50 0 GGAARN Cc1ccccc1-c1noc(-c2cccn(CC(=O)NC3CCCCC3)c2=O)n1 ZINC000049002616 205123616 /nfs/dbraw/zinc/12/36/16/205123616.db2.gz OATWVHYVAOVISW-UHFFFAOYSA-N 0 0 392.459 3.323 50 0 GGAARN CCc1ccc(-n2nnc(C(=O)NCc3ccccn3)c2-c2cccnc2)cc1 ZINC000049003658 205124119 /nfs/dbraw/zinc/12/41/19/205124119.db2.gz UYEOCDVMVOLQKA-UHFFFAOYSA-N 0 0 384.443 3.217 50 0 GGAARN COc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3nc(C)ccc32)cc1 ZINC000049004835 205124321 /nfs/dbraw/zinc/12/43/21/205124321.db2.gz CXOOWJFHIYTVEY-UHFFFAOYSA-N 0 0 378.432 3.163 50 0 GGAARN O=C(Cn1nc2c3c(cccc3c1=O)-c1ccccc1-2)Nc1ccc2c(c1)OCO2 ZINC000049022510 205125512 /nfs/dbraw/zinc/12/55/12/205125512.db2.gz DJABRCWOZPWOCC-UHFFFAOYSA-N 0 0 397.390 3.411 50 0 GGAARN Cc1c(-c2noc(-c3ccc4c(c3)OCO4)n2)nnn1Cc1ccc(F)cc1 ZINC000049410238 205126305 /nfs/dbraw/zinc/12/63/05/205126305.db2.gz MXDNLCNPDXMLAG-UHFFFAOYSA-N 0 0 379.351 3.220 50 0 GGAARN COc1ccc(CC(=O)N2CCC3(CC2)NC(=O)c2cccc(Cl)c2N3)cc1 ZINC000049410079 205126465 /nfs/dbraw/zinc/12/64/65/205126465.db2.gz XMIVDIHRNDDVBM-UHFFFAOYSA-N 0 0 399.878 3.065 50 0 GGAARN O=C(Cn1cnc(-c2noc(-c3ccncc3)n2)c1)Nc1cccc(Cl)c1 ZINC000049411876 205126828 /nfs/dbraw/zinc/12/68/28/205126828.db2.gz SIEXMSUPFGJGHV-UHFFFAOYSA-N 0 0 380.795 3.287 50 0 GGAARN Cc1ccc(NC(=O)Cn2nc3cc(-c4ccccc4)nc(C)n3c2=O)c(C)c1 ZINC000049407120 205126892 /nfs/dbraw/zinc/12/68/92/205126892.db2.gz TYVLFXLAIQCLAW-UHFFFAOYSA-N 0 0 387.443 3.122 50 0 GGAARN Cc1ccc(Nc2cc(C)n3c(nn(CCOc4ccc(F)cc4)c3=O)n2)cc1 ZINC000049410815 205126931 /nfs/dbraw/zinc/12/69/31/205126931.db2.gz KVHFSHOLJLELIQ-UHFFFAOYSA-N 0 0 393.422 3.470 50 0 GGAARN CC(C)c1noc(-c2ccn3c(c2)nnc3CC(=O)Nc2ccc(F)cc2)n1 ZINC000049420843 205127610 /nfs/dbraw/zinc/12/76/10/205127610.db2.gz ZWMRASXLHGETHJ-UHFFFAOYSA-N 0 0 380.383 3.223 50 0 GGAARN Cc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)c[nH]2)s1 ZINC000049550987 205128163 /nfs/dbraw/zinc/12/81/63/205128163.db2.gz ZNJGCNLCZAGSKS-UHFFFAOYSA-N 0 0 376.825 3.432 50 0 GGAARN O=C(Nc1nnc(COc2ccccc2)s1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000049550810 205128270 /nfs/dbraw/zinc/12/82/70/205128270.db2.gz XMCRTZBEDNPJMK-CQSZACIVSA-N 0 0 394.456 3.109 50 0 GGAARN COc1ccc(C(=O)N(C)CCCNC(=O)c2nc3ccccc3s2)cc1 ZINC000049549589 205128277 /nfs/dbraw/zinc/12/82/77/205128277.db2.gz RQOXUOJBUWEUCC-UHFFFAOYSA-N 0 0 383.473 3.197 50 0 GGAARN Cn1cc(OCc2cccc(Cl)c2)c(=O)cc1C(=O)Nc1nccs1 ZINC000049550925 205128289 /nfs/dbraw/zinc/12/82/89/205128289.db2.gz NKPFGUQHAZEAPY-UHFFFAOYSA-N 0 0 375.837 3.327 50 0 GGAARN COCc1nnc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)s1 ZINC000049547267 205128499 /nfs/dbraw/zinc/12/84/99/205128499.db2.gz DSZKMJNYECZFPF-UHFFFAOYSA-N 0 0 398.423 3.052 50 0 GGAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2cccc(SC)c2)n1 ZINC000049550782 205128556 /nfs/dbraw/zinc/12/85/56/205128556.db2.gz HXXHOCYJJHNDHD-UHFFFAOYSA-N 0 0 399.447 3.419 50 0 GGAARN O=C(Nc1ccccc1F)[C@H](Cc1ccccc1)NC(=O)N1CCSCC1 ZINC000049544305 205128597 /nfs/dbraw/zinc/12/85/97/205128597.db2.gz WOXIEAIFCKHBQL-SFHVURJKSA-N 0 0 387.480 3.134 50 0 GGAARN FC(F)(F)Oc1ccc(Cc2nnc3sc(-c4csnn4)nn23)cc1 ZINC000049545724 205128640 /nfs/dbraw/zinc/12/86/40/205128640.db2.gz LFQBHNJKZMJLTA-UHFFFAOYSA-N 0 0 384.368 3.194 50 0 GGAARN COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C)CCCC(C)C)n2)c(F)c1 ZINC000049544652 205128672 /nfs/dbraw/zinc/12/86/72/205128672.db2.gz DVPJFBUROSTZPM-OAHLLOKOSA-N 0 0 389.471 3.389 50 0 GGAARN O=C(Cn1nc(-c2cccs2)ccc1=O)N1CCC(Cc2ccccc2)CC1 ZINC000049548633 205128715 /nfs/dbraw/zinc/12/87/15/205128715.db2.gz MCEKSFORMHOWTF-UHFFFAOYSA-N 0 0 393.512 3.453 50 0 GGAARN CCN(C(=O)c1cccc(NC(=O)CSc2nncn2C)c1)c1ccccc1 ZINC000045929049 205099458 /nfs/dbraw/zinc/09/94/58/205099458.db2.gz JNBRAOHDCCLTFM-UHFFFAOYSA-N 0 0 395.488 3.213 50 0 GGAARN CCc1ccccc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O ZINC000045970164 205100071 /nfs/dbraw/zinc/10/00/71/205100071.db2.gz NMWOAGFIGJNJMW-UHFFFAOYSA-N 0 0 397.504 3.044 50 0 GGAARN COC(=O)CCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O ZINC000049543659 205128999 /nfs/dbraw/zinc/12/89/99/205128999.db2.gz CPLRXWGPHCJPGN-UHFFFAOYSA-N 0 0 399.443 3.385 50 0 biogenic GGAARN CCCSc1ncc(Cl)c(C(=O)NCC(=O)Nc2cccc(C)c2)n1 ZINC000046086704 205104142 /nfs/dbraw/zinc/10/41/42/205104142.db2.gz HQMNVUAFEUULNB-UHFFFAOYSA-N 0 0 378.885 3.309 50 0 GGAARN COc1ccc(-c2noc(-c3ccc(N(C)Cc4nc(C)c[nH]4)nc3)n2)cc1 ZINC000046128998 205104461 /nfs/dbraw/zinc/10/44/61/205104461.db2.gz SQJDKVZNDYPSJL-UHFFFAOYSA-N 0 0 376.420 3.475 50 0 GGAARN COc1cc2c(cc1C(=O)NCCOc1ccc(Cl)cc1)OCCCO2 ZINC000046077827 205104966 /nfs/dbraw/zinc/10/49/66/205104966.db2.gz BKBLWKHCEZFBEJ-UHFFFAOYSA-N 0 0 377.824 3.319 50 0 GGAARN COc1ccc(C(=O)COC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C)N3)cc1 ZINC000051353950 205133070 /nfs/dbraw/zinc/13/30/70/205133070.db2.gz RNVUUDKJCMIHFD-BONVTDFDSA-N 0 0 397.353 3.239 50 0 GGAARN Cc1nc(CN2CCN(C(=O)Nc3cccc(-c4cnco4)c3)CC2)cs1 ZINC000052470875 205133489 /nfs/dbraw/zinc/13/34/89/205133489.db2.gz CRDBABCNMONTIP-UHFFFAOYSA-N 0 0 383.477 3.456 50 0 GGAARN COc1cc(OC)c(NC(=O)COC(=O)c2cccc(C(C)=O)c2)cc1Cl ZINC000051357151 205133524 /nfs/dbraw/zinc/13/35/24/205133524.db2.gz NWYYMVJCSGBBQN-UHFFFAOYSA-N 0 0 391.807 3.355 50 0 GGAARN COc1ccc(-c2coc3c(ccc4c3CN(CCCO)CO4)c2=O)cc1OC ZINC000054313677 205139692 /nfs/dbraw/zinc/13/96/92/205139692.db2.gz FITZVVGOIXTWCF-UHFFFAOYSA-N 0 0 397.427 3.012 50 0 biogenic GGAARN O=S(=O)(c1nnn2c3ccsc3c(Cl)nc12)c1ccc(Cl)cc1 ZINC000057509254 205159027 /nfs/dbraw/zinc/15/90/27/205159027.db2.gz YCHAULCYZHMQDC-UHFFFAOYSA-N 0 0 385.257 3.479 50 0 GGAARN O=C(CSCc1ccccc1Cl)NCCc1nnc(-c2cccnc2)[nH]1 ZINC000055060859 205140817 /nfs/dbraw/zinc/14/08/17/205140817.db2.gz BHPGGUCRBVAMHT-UHFFFAOYSA-N 0 0 387.896 3.112 50 0 GGAARN CSCC[C@H](NC(=O)c1cc(C)nc2onc(C)c21)c1nnc2ccccn21 ZINC000054887814 205140962 /nfs/dbraw/zinc/14/09/62/205140962.db2.gz NZGMXYAAKKAPOR-AWEZNQCLSA-N 0 0 396.476 3.107 50 0 GGAARN CCOc1ccc(C(=O)NCC(=O)NC(c2ccccc2)c2ccccc2)o1 ZINC000055042129 205141025 /nfs/dbraw/zinc/14/10/25/205141025.db2.gz ZHKYHQRWUVEKSG-UHFFFAOYSA-N 0 0 378.428 3.314 50 0 GGAARN C[C@H](CCc1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000054967134 205141062 /nfs/dbraw/zinc/14/10/62/205141062.db2.gz AWTPXRYNWWQJLG-QGZVFWFLSA-N 0 0 376.497 3.153 50 0 GGAARN COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCN(C)C(=O)[C@@H]2C)c1 ZINC000055053295 205141197 /nfs/dbraw/zinc/14/11/97/205141197.db2.gz XBTFTTZVZDYQMV-KRWDZBQOSA-N 0 0 390.487 3.210 50 0 GGAARN S=C(Nc1ccc2c(c1)OCCO2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000055057229 205141712 /nfs/dbraw/zinc/14/17/12/205141712.db2.gz QQRKVAJZZANPHO-QPJJXVBHSA-N 0 0 395.528 3.486 50 0 GGAARN Cc1cc(=O)oc2cc(NC(=S)N3CCN(Cc4ccco4)CC3)ccc12 ZINC000055056223 205141768 /nfs/dbraw/zinc/14/17/68/205141768.db2.gz OXAYXCBAOGKVIC-UHFFFAOYSA-N 0 0 383.473 3.209 50 0 GGAARN CC[C@@H](CO)N(Cc1cccnc1)C(=O)c1ncccc1C(=O)c1ccccc1 ZINC000055090470 205141799 /nfs/dbraw/zinc/14/17/99/205141799.db2.gz DLNCYKNLSTTZES-IBGZPJMESA-N 0 0 389.455 3.121 50 0 GGAARN CCOc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1OCC ZINC000055060344 205142404 /nfs/dbraw/zinc/14/24/04/205142404.db2.gz VRUXUCMTIDHMSW-UHFFFAOYSA-N 0 0 382.504 3.485 50 0 GGAARN Cc1ccc(OCCN(C)C(=O)CSc2n[nH]c(-c3ccco3)n2)c(C)c1 ZINC000055182516 205142609 /nfs/dbraw/zinc/14/26/09/205142609.db2.gz CKEZUBNOJZOUAH-UHFFFAOYSA-N 0 0 386.477 3.311 50 0 GGAARN CCn1ncc(NC(=O)Cn2ncc3cc(-c4ccc(F)cc4F)ccc32)n1 ZINC000055166031 205142758 /nfs/dbraw/zinc/14/27/58/205142758.db2.gz XWAUAVHAQPBXSJ-UHFFFAOYSA-N 0 0 382.374 3.232 50 0 GGAARN CCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCc1nc2ccccc2n1CC ZINC000055120043 205142975 /nfs/dbraw/zinc/14/29/75/205142975.db2.gz UURIGPDDBZREFR-SJORKVTESA-N 0 0 384.524 3.048 50 0 GGAARN COCCCn1cnnc1[C@H](C)Nc1cc(C)c2c(OC)ccc(OC)c2n1 ZINC000055100449 205143087 /nfs/dbraw/zinc/14/30/87/205143087.db2.gz DULXTEWEBQIWEK-AWEZNQCLSA-N 0 0 385.468 3.362 50 0 GGAARN COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2cnc(SC)nc2)C1 ZINC000055168028 205143629 /nfs/dbraw/zinc/14/36/29/205143629.db2.gz HVRSVDKLKLCFMP-AWEZNQCLSA-N 0 0 375.469 3.441 50 0 GGAARN COCCN(Cc1cccs1)C(=O)[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000055169024 205143881 /nfs/dbraw/zinc/14/38/81/205143881.db2.gz LFQXOIUICYYHJM-GOSISDBHSA-N 0 0 378.538 3.294 50 0 GGAARN CCc1cc(=O)n(CC(=O)Nc2cccc(OC)c2)c(-c2ccc(F)cc2)n1 ZINC000057508503 205159118 /nfs/dbraw/zinc/15/91/18/205159118.db2.gz SYMWNPPNAFXEDB-UHFFFAOYSA-N 0 0 381.407 3.259 50 0 GGAARN CCCc1nnc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)c3ccccc3n12 ZINC000057522793 205159141 /nfs/dbraw/zinc/15/91/41/205159141.db2.gz BLRWGVVZVAMCNO-UHFFFAOYSA-N 0 0 395.850 3.289 50 0 GGAARN COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2cnc(SC)nc2)C1 ZINC000055168025 205143942 /nfs/dbraw/zinc/14/39/42/205143942.db2.gz HVRSVDKLKLCFMP-CQSZACIVSA-N 0 0 375.469 3.441 50 0 GGAARN C[C@H](c1ccon1)N(C)Cc1cnc(S(C)(=O)=O)n1CC1CCCCC1 ZINC000055098900 205143986 /nfs/dbraw/zinc/14/39/86/205143986.db2.gz 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205145262 /nfs/dbraw/zinc/14/52/62/205145262.db2.gz FTZBDHNNPJOEDO-UHFFFAOYSA-N 0 0 375.860 3.014 50 0 GGAARN CSc1ccccc1N1C(=O)[C@@H]2C[C@H]1CN2Cc1nc2ccccc2n1C ZINC000055195605 205145981 /nfs/dbraw/zinc/14/59/81/205145981.db2.gz CCACCJTVKTYHJO-KSSFIOAISA-N 0 0 378.501 3.285 50 0 GGAARN CCN(CCOc1cccc(OC)c1)C(=O)c1cc(=O)[nH]c2ccc(C)cc21 ZINC000055271491 205146279 /nfs/dbraw/zinc/14/62/79/205146279.db2.gz GGIHVSBVBBHYNZ-UHFFFAOYSA-N 0 0 380.444 3.386 50 0 GGAARN CCOC(=O)c1n[nH]cc1CN[C@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 ZINC000055195942 205146380 /nfs/dbraw/zinc/14/63/80/205146380.db2.gz JCEJGKGTDOGRRQ-HNNXBMFYSA-N 0 0 385.512 3.477 50 0 GGAARN O=C(C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NC1CCCCCC1 ZINC000055369884 205147032 /nfs/dbraw/zinc/14/70/32/205147032.db2.gz UEIREUUDIXYNPT-GOSISDBHSA-N 0 0 395.906 3.009 50 0 GGAARN Cc1ccc([C@H](C(=O)N2CCC(CCC(=O)N3CCCC3)CC2)N(C)C)cc1 ZINC000055340714 205147068 /nfs/dbraw/zinc/14/70/68/205147068.db2.gz AQXFTFNLQVXXIW-JOCHJYFZSA-N 0 0 385.552 3.239 50 0 GGAARN 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388.456 3.193 50 0 GGAARN O=S(=O)(NCc1ccnc(-c2ccsc2)c1)c1cccc2nsnc21 ZINC000225758493 206074241 /nfs/dbraw/zinc/07/42/41/206074241.db2.gz VIZIALZISFUAGG-UHFFFAOYSA-N 0 0 388.499 3.293 50 0 GGAARN O=C(NCc1nnc2ccc(-c3cccs3)nn21)C1(c2ccccc2)CC1 ZINC000225764443 206074613 /nfs/dbraw/zinc/07/46/13/206074613.db2.gz HPJGRUHDGVFCKN-UHFFFAOYSA-N 0 0 375.457 3.201 50 0 GGAARN CCOC(=O)CCn1c(=O)sc2c1SC[C@@H]1COc3ccccc3[C@H]21 ZINC000032597571 206090514 /nfs/dbraw/zinc/09/05/14/206090514.db2.gz MROCLCGECGWLTK-XHDPSFHLSA-N 0 0 377.487 3.109 50 0 GGAARN O=C(NCc1nnc2ccc(-c3cccs3)nn21)c1ccc2ccccc2n1 ZINC000225764311 206074763 /nfs/dbraw/zinc/07/47/63/206074763.db2.gz UIRDQTTXEYRQAS-UHFFFAOYSA-N 0 0 386.440 3.331 50 0 GGAARN CCSc1ccccc1C(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1 ZINC000225782499 206075845 /nfs/dbraw/zinc/07/58/45/206075845.db2.gz NKCNWBUNNYIVSS-UHFFFAOYSA-N 0 0 383.448 3.144 50 0 GGAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCc2nc3ccc(F)cn3c(=O)c2C1 ZINC000225783480 206076348 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CCOC(=O)CCn1c(=O)sc2c1SC[C@@H]1COc3ccccc3[C@@H]21 ZINC000032597574 206090805 /nfs/dbraw/zinc/09/08/05/206090805.db2.gz MROCLCGECGWLTK-NHYWBVRUSA-N 0 0 377.487 3.109 50 0 GGAARN COc1cc2ncn(CCC(=O)N[C@@H](C)CCCC(C)C)c(=O)c2cc1OC ZINC000032124413 206088321 /nfs/dbraw/zinc/08/83/21/206088321.db2.gz DORAZNRZTQBOKG-HNNXBMFYSA-N 0 0 389.496 3.135 50 0 biogenic GGAARN COc1c2c(c(NC(=O)c3ccc4ncccc4c3)c3c1CN(C)CC3)OCO2 ZINC000032123809 206089093 /nfs/dbraw/zinc/08/90/93/206089093.db2.gz WGBDPBLHKUWDIW-UHFFFAOYSA-N 0 0 391.427 3.212 50 0 biogenic GGAARN C/C=C(\C)C(=O)O[C@@H]1[C@@H](OC(C)=O)c2c(ccc3ccc(=O)oc32)OC1(C)C ZINC000034199207 206099935 /nfs/dbraw/zinc/09/99/35/206099935.db2.gz XGPBRZDOJDLKOT-BDWBDONCSA-N 0 0 386.400 3.446 50 0 biogenic,in-vitro GGAARN O=C(CCCc1nnc2ccccn21)NCCCn1ccc2ccc(F)cc21 ZINC000226847949 206100369 /nfs/dbraw/zinc/10/03/69/206100369.db2.gz DLCAZHWLQNPGTI-UHFFFAOYSA-N 0 0 379.439 3.352 50 0 GGAARN COc1ccc(NC(=O)Cn2cc(-c3ccc(OC)cc3)c(N(C)C)n2)cc1 ZINC000062006991 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Cc1ccc(-c2cn(CC(=O)Nc3cccc(F)c3)nc2N2CCOCC2)cc1 ZINC000062006900 206104435 /nfs/dbraw/zinc/10/44/35/206104435.db2.gz XPUFDXUMRFDCKW-UHFFFAOYSA-N 0 0 394.450 3.473 50 0 GGAARN COc1cccc(-n2ccn3c(SCc4ccc(C)cc4)nnc3c2=O)c1 ZINC000064593659 206105623 /nfs/dbraw/zinc/10/56/23/206105623.db2.gz HTKSJOHANSOUDR-UHFFFAOYSA-N 0 0 378.457 3.490 50 0 GGAARN Cc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@@H]3CCCN23)cc1 ZINC000229886702 206109186 /nfs/dbraw/zinc/10/91/86/206109186.db2.gz TYIXOTSYIDPKQW-BURNTYAHSA-N 0 0 388.467 3.139 50 0 GGAARN O=C(Cc1c(=O)[nH]n2c1[nH]c(-c1cccc(Cl)c1)cc2=O)c1ccccc1 ZINC000095831058 206113115 /nfs/dbraw/zinc/11/31/15/206113115.db2.gz ZAZMSVKNAJWBQA-UHFFFAOYSA-N 0 0 379.803 3.062 50 0 GGAARN O=C(CCC(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 ZINC000096099403 206113653 /nfs/dbraw/zinc/11/36/53/206113653.db2.gz DWSKGKJXVIOYAE-UHFFFAOYSA-N 0 0 385.485 3.114 50 0 GGAARN O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000096025576 206113670 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CCOc1ccc(CC(=O)N2CCC[C@H]2CS(=O)(=O)c2ccccc2)cc1 ZINC000096098307 206114222 /nfs/dbraw/zinc/11/42/22/206114222.db2.gz LTHIEGDCUZHRJO-SFHVURJKSA-N 0 0 387.501 3.093 50 0 GGAARN COCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1cccs1 ZINC000096024149 206114348 /nfs/dbraw/zinc/11/43/48/206114348.db2.gz RSMVAQLQQHWUAC-ZPHPHTNESA-N 0 0 375.475 3.110 50 0 GGAARN Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000096025596 206114404 /nfs/dbraw/zinc/11/44/04/206114404.db2.gz CRNRGKHZFZJMHG-IBGZPJMESA-N 0 0 391.876 3.447 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)CN1CC(c2nc(-c3ccco3)no2)C1 ZINC000096024276 206114587 /nfs/dbraw/zinc/11/45/87/206114587.db2.gz AMTFGUHAHHRXBS-UHFFFAOYSA-N 0 0 388.811 3.030 50 0 GGAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 ZINC000096098311 206114657 /nfs/dbraw/zinc/11/46/57/206114657.db2.gz XVQPMRKURWMRES-HNNXBMFYSA-N 0 0 393.892 3.427 50 0 GGAARN Cc1c(C(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)cnn1-c1ccccc1 ZINC000096097801 206114695 /nfs/dbraw/zinc/11/46/95/206114695.db2.gz 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206115770 /nfs/dbraw/zinc/11/57/70/206115770.db2.gz BZTWTTNKMJTKMZ-HNNXBMFYSA-N 0 0 398.406 3.216 50 0 GGAARN CO[C@@H](CNS(=O)(=O)c1ccc(NC(=O)C(C)C)cc1)c1ccccc1C ZINC000096105093 206115824 /nfs/dbraw/zinc/11/58/24/206115824.db2.gz OHFACCVKXYVGLY-IBGZPJMESA-N 0 0 390.505 3.256 50 0 GGAARN CSc1ccc([C@@H](O)CNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000096103213 206116267 /nfs/dbraw/zinc/11/62/67/206116267.db2.gz YMCDRKMFUBZHRS-IBGZPJMESA-N 0 0 377.531 3.299 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](OC)c1ccc(C)s1 ZINC000096104860 206116317 /nfs/dbraw/zinc/11/63/17/206116317.db2.gz LUUFPEAEUPIXTN-CQSZACIVSA-N 0 0 382.869 3.161 50 0 GGAARN O=C(COc1ccc(Cl)cc1)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000096103401 206116592 /nfs/dbraw/zinc/11/65/92/206116592.db2.gz AHSKCZZQVDLIIO-MRXNPFEDSA-N 0 0 393.892 3.184 50 0 GGAARN COc1ccc(S(=O)(=O)NC[C@@H](OC)c2ccc(C)s2)cc1Cl ZINC000096104802 206116927 /nfs/dbraw/zinc/11/69/27/206116927.db2.gz VLKTUAHCEWJMDA-CQSZACIVSA-N 0 0 375.899 3.385 50 0 GGAARN CSc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000096103272 206116940 /nfs/dbraw/zinc/11/69/40/206116940.db2.gz BZTWTTNKMJTKMZ-OAHLLOKOSA-N 0 0 398.406 3.216 50 0 GGAARN Cn1nccc1[C@@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000096115094 206117104 /nfs/dbraw/zinc/11/71/04/206117104.db2.gz AVANTEYYBLFFBU-ZDUSSCGKSA-N 0 0 388.379 3.340 50 0 biogenic GGAARN CCOC(=O)c1[nH]c(C)c(C(=O)NCCc2c[nH]c3ccc(OC)cc23)c1C ZINC000096113786 206117384 /nfs/dbraw/zinc/11/73/84/206117384.db2.gz PKLVGIFNAXTUJL-UHFFFAOYSA-N 0 0 383.448 3.271 50 0 biogenic GGAARN O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)c1ccc(Cl)s1 ZINC000096096651 206117396 /nfs/dbraw/zinc/11/73/96/206117396.db2.gz JKVLAAZIARCLMR-UHFFFAOYSA-N 0 0 394.909 3.253 50 0 GGAARN Cc1ccc(S(=O)(=O)NCc2nn(C3CCCC3)c(=O)c3ccccc23)cc1 ZINC000096096321 206117441 /nfs/dbraw/zinc/11/74/41/206117441.db2.gz GKAJCUXFZYGADR-UHFFFAOYSA-N 0 0 397.500 3.299 50 0 GGAARN COC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2C1 ZINC000096096307 206117447 /nfs/dbraw/zinc/11/74/47/206117447.db2.gz QCPKATPRZCCCFI-UHFFFAOYSA-N 0 0 398.843 3.404 50 0 GGAARN COC(=O)C[C@@H](c1ccc(OCC(C)C)c(OC)c1)c1oc(C)cc(=O)c1O ZINC000096114746 206117488 /nfs/dbraw/zinc/11/74/88/206117488.db2.gz CWKLCPBVIPDDGW-HNNXBMFYSA-N 0 0 390.432 3.392 50 0 biogenic GGAARN COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1ccccc1)c1ccc(OC)c(O)c1 ZINC000096116422 206117593 /nfs/dbraw/zinc/11/75/93/206117593.db2.gz VDIGVSGRDZVFIQ-HNNXBMFYSA-N 0 0 382.416 3.115 50 0 biogenic GGAARN Cn1cc([C@H](O)CNS(=O)(=O)c2cccc3ccccc32)c2ccccc21 ZINC000096096494 206118030 /nfs/dbraw/zinc/11/80/30/206118030.db2.gz NUHVSALATVUZMR-HXUWFJFHSA-N 0 0 380.469 3.343 50 0 GGAARN O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)c1cc2ccccc2[nH]1 ZINC000096096615 206118052 /nfs/dbraw/zinc/11/80/52/206118052.db2.gz RVAUIDILQLXARW-UHFFFAOYSA-N 0 0 393.472 3.020 50 0 GGAARN COc1cccc(OC)c1C(=O)NCCn1nc(-c2ccncc2)cc1C1CC1 ZINC000096121660 206118930 /nfs/dbraw/zinc/11/89/30/206118930.db2.gz ZQRKSEGNCWQNJR-UHFFFAOYSA-N 0 0 392.459 3.270 50 0 GGAARN O=C(Cc1c(F)cccc1Cl)NCC1CCN(C(=O)c2cccnc2)CC1 ZINC000096120511 206118988 /nfs/dbraw/zinc/11/89/88/206118988.db2.gz GCXIRMBTMFFIPB-UHFFFAOYSA-N 0 0 389.858 3.085 50 0 GGAARN COc1ccc(S(=O)(=O)NCC2(OC)C3CC4CC(C3)CC2C4)c(C)c1 ZINC000096123889 206119136 /nfs/dbraw/zinc/11/91/36/206119136.db2.gz FMAPQQOSRGFUCP-UHFFFAOYSA-N 0 0 379.522 3.123 50 0 GGAARN Cc1ccc(C)c(S(=O)(=O)NCCn2nc(-c3ccccn3)cc2C2CC2)c1 ZINC000096121745 206119140 /nfs/dbraw/zinc/11/91/40/206119140.db2.gz XCUSNAYOFSENBI-UHFFFAOYSA-N 0 0 396.516 3.418 50 0 GGAARN Cc1nnsc1C(=O)Nc1ccccc1Cc1nc(-c2ccncc2)no1 ZINC000096119642 206119332 /nfs/dbraw/zinc/11/93/32/206119332.db2.gz FXCKAMKYCKBHLI-UHFFFAOYSA-N 0 0 378.417 3.135 50 0 GGAARN C[C@H](Oc1ccccc1)C(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2 ZINC000096121493 206119413 /nfs/dbraw/zinc/11/94/13/206119413.db2.gz ZAWMIBXBGHRAOI-KRWDZBQOSA-N 0 0 390.487 3.408 50 0 GGAARN O=C(NCCn1nc(-c2ccccn2)cc1C1CC1)c1ccc2nsnc2c1 ZINC000096121722 206119571 /nfs/dbraw/zinc/11/95/71/206119571.db2.gz CEQFIEYEKOAJND-UHFFFAOYSA-N 0 0 390.472 3.257 50 0 GGAARN O=C(COc1ccccc1F)NCCn1nc(-c2ccccn2)c2c1CCCC2 ZINC000096121496 206119617 /nfs/dbraw/zinc/11/96/17/206119617.db2.gz GACHCBCCZPSEGD-UHFFFAOYSA-N 0 0 394.450 3.158 50 0 GGAARN O=C(Cn1nc(-n2ccc3ccccc32)ccc1=O)N[C@@H]1CCCc2ccccc21 ZINC000096119955 206119650 /nfs/dbraw/zinc/11/96/50/206119650.db2.gz OGJQYBUJZIOTHU-HXUWFJFHSA-N 0 0 398.466 3.381 50 0 GGAARN COc1ccc(CNC(=O)Nc2ccc(N3CC[C@H](OC)C3)cc2)cc1OC ZINC000096122351 206119667 /nfs/dbraw/zinc/11/96/67/206119667.db2.gz JZWBVUVCXZKDIO-SFHVURJKSA-N 0 0 385.464 3.251 50 0 GGAARN COc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccco3)s2)c(C)c1 ZINC000096119814 206119751 /nfs/dbraw/zinc/11/97/51/206119751.db2.gz GCLBTORQNMYKQA-UHFFFAOYSA-N 0 0 391.470 3.368 50 0 GGAARN O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1cc(Br)cs1 ZINC000096120563 206119868 /nfs/dbraw/zinc/11/98/68/206119868.db2.gz QTLXPIJDYRDPGW-UHFFFAOYSA-N 0 0 397.294 3.386 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@](C)(OC)c1ccccc1F ZINC000096123638 206120002 /nfs/dbraw/zinc/12/00/02/206120002.db2.gz CCVNABCFGARMKT-IBGZPJMESA-N 0 0 394.830 3.104 50 0 GGAARN CN(C)c1cccc(C(=O)NCCn2nc(-c3ccncc3)cc2C2CC2)c1 ZINC000096121653 206120012 /nfs/dbraw/zinc/12/00/12/206120012.db2.gz MTCBHSFGXZRFMO-UHFFFAOYSA-N 0 0 375.476 3.319 50 0 GGAARN C[C@H](Oc1ccccc1)C(=O)NCCn1nc(-c2ccncc2)c2c1CCCC2 ZINC000096121450 206120146 /nfs/dbraw/zinc/12/01/46/206120146.db2.gz WYRPTPHQUMYZSM-KRWDZBQOSA-N 0 0 390.487 3.408 50 0 GGAARN CCn1ncc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1=O ZINC000096193761 206120926 /nfs/dbraw/zinc/12/09/26/206120926.db2.gz NISHUEBOSSYSLL-UHFFFAOYSA-N 0 0 386.805 3.262 50 0 GGAARN CCOC(=O)c1c(C)c(C(=O)N2CCc3c4ccccc4[nH]c3C2)c(C)n1C ZINC000096222651 206121009 /nfs/dbraw/zinc/12/10/09/206121009.db2.gz NGFXOADFISTAQM-UHFFFAOYSA-N 0 0 379.460 3.498 50 0 biogenic GGAARN CCSc1ccccc1C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000096365600 206122204 /nfs/dbraw/zinc/12/22/04/206122204.db2.gz LSLWGWKIUIXZQA-INIZCTEOSA-N 0 0 375.515 3.487 50 0 GGAARN CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](OC)c2cccc(F)c2)c(C)c1 ZINC000096388566 206122341 /nfs/dbraw/zinc/12/23/41/206122341.db2.gz PEUAQFRAWQLNAJ-QGZVFWFLSA-N 0 0 394.468 3.149 50 0 GGAARN CO[C@](C)(CNC(=O)C(=O)Nc1ccccc1SC)c1ccccc1F ZINC000096391354 206122675 /nfs/dbraw/zinc/12/26/75/206122675.db2.gz SLXNRIYVPWBKDC-LJQANCHMSA-N 0 0 376.453 3.164 50 0 GGAARN COc1ccccc1[C@H](CNS(=O)(=O)c1cc(Cl)ccc1OC)OC ZINC000096385014 206122875 /nfs/dbraw/zinc/12/28/75/206122875.db2.gz XNIQQOLXNUGFSE-INIZCTEOSA-N 0 0 385.869 3.023 50 0 GGAARN Cc1ccc2nc3c(cc(C(=O)N[C@@H](C)CCc4ccccc4)n3C)c(=O)n2c1 ZINC000096347360 206122913 /nfs/dbraw/zinc/12/29/13/206122913.db2.gz BNPMNGFOSBDTMY-INIZCTEOSA-N 0 0 388.471 3.246 50 0 GGAARN CO[C@](C)(CNS(=O)(=O)c1ccc(C(C)=O)cc1)c1cccc(Cl)c1 ZINC000096392851 206123006 /nfs/dbraw/zinc/12/30/06/206123006.db2.gz FCZBTMIGUOXZFF-GOSISDBHSA-N 0 0 381.881 3.383 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000096366016 206123011 /nfs/dbraw/zinc/12/30/11/206123011.db2.gz ZRKQQIZEFAVKJG-HNNXBMFYSA-N 0 0 394.880 3.429 50 0 GGAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)Nc3cccs3)CC2)cc1 ZINC000096376409 206123144 /nfs/dbraw/zinc/12/31/44/206123144.db2.gz UJEWZPJOHCNROX-UHFFFAOYSA-N 0 0 380.491 3.227 50 0 GGAARN COC(=O)c1ccccc1NC(=O)c1cc2c(nc3c(C)cccn3c2=O)s1 ZINC000096347306 206123258 /nfs/dbraw/zinc/12/32/58/206123258.db2.gz LJMVMRHWUYJNNY-UHFFFAOYSA-N 0 0 393.424 3.257 50 0 GGAARN C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)C(C)(C)C)c3)C(=O)[C@H]21 ZINC000239175778 206123945 /nfs/dbraw/zinc/12/39/45/206123945.db2.gz QPXUKSXIIDNPAJ-QBIMZIAESA-N 0 0 383.444 3.160 50 0 GGAARN O=C(COc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1)c1ccccc1 ZINC000239274723 206124422 /nfs/dbraw/zinc/12/44/22/206124422.db2.gz APSRXKDZLOQSAD-QVIVCSSQSA-N 0 0 391.423 3.084 50 0 GGAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000229968316 206110226 /nfs/dbraw/zinc/11/02/26/206110226.db2.gz MLMNIIWAGRXMHP-XUVXKRRUSA-N 0 0 390.395 3.339 50 0 GGAARN Cc1ccc(C)c(Cn2nc3c(=O)n(-c4cccc(Cl)c4C)ccn3c2=O)c1 ZINC000252484239 206137756 /nfs/dbraw/zinc/13/77/56/206137756.db2.gz FSPQITVFKJJXHY-UHFFFAOYSA-N 0 0 394.862 3.274 50 0 GGAARN CC[C@H](C)[C@@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2[nH]1 ZINC000248294966 206138273 /nfs/dbraw/zinc/13/82/73/206138273.db2.gz WLRMNLYZZFNLHJ-TXPKVOOTSA-N 0 0 392.507 3.473 50 0 GGAARN COCCn1c2ccccc2nc1[C@@H](C)NC(=O)Cc1ccc2c(c1)OCC2 ZINC000252483611 206138364 /nfs/dbraw/zinc/13/83/64/206138364.db2.gz FFWJCHUXWMTPOH-OAHLLOKOSA-N 0 0 379.460 3.038 50 0 GGAARN CC(C)C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2n1C ZINC000252479343 206139000 /nfs/dbraw/zinc/13/90/00/206139000.db2.gz BDHGUGMVNRMKPZ-GOSISDBHSA-N 0 0 389.463 3.066 50 0 GGAARN O=C(CCN1CCC[C@@H](C(=O)c2cccs2)C1)Nc1nnc(C2CC2)s1 ZINC000252497017 206139529 /nfs/dbraw/zinc/13/95/29/206139529.db2.gz PXLCIWWSTZJXJU-CYBMUJFWSA-N 0 0 390.534 3.401 50 0 GGAARN C[C@@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C)N1Cc2ccccc2C1=O ZINC000252490858 206139546 /nfs/dbraw/zinc/13/95/46/206139546.db2.gz LDEJOMSBRUEDAM-MGPUTAFESA-N 0 0 388.471 3.281 50 0 GGAARN CS(=O)(=O)c1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc1 ZINC000252490513 206139585 /nfs/dbraw/zinc/13/95/85/206139585.db2.gz KVWTXQVKIUTSQG-UHFFFAOYSA-N 0 0 393.428 3.341 50 0 GGAARN Cn1c2ccccc2nc1[C@@H](Cc1ccccc1)NC(=O)c1n[nH]c2c1CCC2 ZINC000252498686 206139800 /nfs/dbraw/zinc/13/98/00/206139800.db2.gz RIOWEVXWCWLQBH-LJQANCHMSA-N 0 0 385.471 3.499 50 0 GGAARN CSCC[C@@H](CO)NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000252495574 206140054 /nfs/dbraw/zinc/14/00/54/206140054.db2.gz OTTCBNWSGLHSRU-KRWDZBQOSA-N 0 0 383.469 3.304 50 0 GGAARN Cc1cc(C)c(C(=O)NCc2nc(-c3c(F)cccc3Cl)no2)c(=O)[nH]1 ZINC000252491731 206140130 /nfs/dbraw/zinc/14/01/30/206140130.db2.gz LRQKNNWOTSOQJQ-UHFFFAOYSA-N 0 0 376.775 3.177 50 0 GGAARN O=C(C=Cc1cccs1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000252491787 206140262 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O=C(N[C@H](c1ccccn1)C(F)(F)F)[C@@H]1CC(Cc2cccc(F)c2)=NO1 ZINC000011790400 221125849 /nfs/dbraw/zinc/12/58/49/221125849.db2.gz USDAVZAJBXSSOA-JKSUJKDBSA-N 0 0 381.329 3.328 50 0 GGAARN CCc1ccc(CN(C)C(=O)C[C@]2(c3cccc(F)c3)CC(=O)N(C)C2=O)cc1 ZINC000011813085 221126078 /nfs/dbraw/zinc/12/60/78/221126078.db2.gz XAVCARRKRKULDF-HSZRJFAPSA-N 0 0 396.462 3.063 50 0 GGAARN Cc1ccccc1CN1CCN(C(=O)c2ccc(-n3cccn3)cc2)CCC1=O ZINC000011815044 221127212 /nfs/dbraw/zinc/12/72/12/221127212.db2.gz KYTXAIGBUWUAQE-UHFFFAOYSA-N 0 0 388.471 3.055 50 0 GGAARN CC1(C)C[C@@H](NC(=O)c2coc(COc3cccc4cnccc43)n2)CCO1 ZINC000011815532 221127239 /nfs/dbraw/zinc/12/72/39/221127239.db2.gz YTPGGRUYSHEFJJ-HNNXBMFYSA-N 0 0 381.432 3.489 50 0 GGAARN CC1(C)C[C@H](NC(=O)c2coc(COc3cccc4cnccc43)n2)CCO1 ZINC000011815531 221127829 /nfs/dbraw/zinc/12/78/29/221127829.db2.gz YTPGGRUYSHEFJJ-OAHLLOKOSA-N 0 0 381.432 3.489 50 0 GGAARN Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)nn1C ZINC000012073989 221146898 /nfs/dbraw/zinc/14/68/98/221146898.db2.gz RKCCYHPULNJLHC-SFHVURJKSA-N 0 0 381.455 3.497 50 0 GGAARN CC(=O)c1cccc(OCc2cc(C(=O)N(C)CCC3CCOCC3)no2)c1 ZINC000012073264 221146977 /nfs/dbraw/zinc/14/69/77/221146977.db2.gz WOWJDPLQUQJPJY-UHFFFAOYSA-N 0 0 386.448 3.345 50 0 GGAARN COc1ccc(C[C@@]2(CCC(=O)NCCc3ccc(F)cc3)CCC(=O)N2)cc1 ZINC000012099802 221150583 /nfs/dbraw/zinc/15/05/83/221150583.db2.gz SFMFHJDIVMBVRM-HSZRJFAPSA-N 0 0 398.478 3.165 50 0 GGAARN CC(C)CC(=O)N1CCC2(CC[C@@H](CNC(=O)CCc3ccccc3)O2)CC1 ZINC000012099132 221150663 /nfs/dbraw/zinc/15/06/63/221150663.db2.gz SZOFZPVHOPSCBD-FQEVSTJZSA-N 0 0 386.536 3.322 50 0 GGAARN O=C(CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCCc1cccnc1 ZINC000012099854 221151059 /nfs/dbraw/zinc/15/10/59/221151059.db2.gz LAKGXBKNXIRSPA-OAQYLSRUSA-N 0 0 385.895 3.065 50 0 GGAARN C[C@H](O)c1cccc(NC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)c1 ZINC000012893163 221242056 /nfs/dbraw/zinc/24/20/56/221242056.db2.gz HVFPEEXWRDHKFU-LBPRGKRZSA-N 0 0 385.416 3.207 50 0 biogenic GGAARN 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COc1ccc(CN(C)C(=O)NCCCn2nc(C)cc2C)c2cccnc12 ZINC000426358549 533526558 /nfs/dbraw/zinc/52/65/58/533526558.db2.gz PBOLOLQOGUMFPC-UHFFFAOYSA-N 0 0 381.480 3.288 50 0 GGAARN COc1ccc(CCN(Cc2ccncc2)C(=O)NC[C@@H]2CCCCO2)cc1 ZINC000426505772 533477684 /nfs/dbraw/zinc/47/76/84/533477684.db2.gz MSZSTPGRZTUTKX-NRFANRHFSA-N 0 0 383.492 3.414 50 0 GGAARN COC(=O)C[C@@H](c1ccco1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O ZINC000409414157 533614246 /nfs/dbraw/zinc/61/42/46/533614246.db2.gz PQHFGXKOJMNDJN-KRWDZBQOSA-N 0 0 397.427 3.099 50 0 GGAARN C[C@H](NC(=O)N1Cc2cnc(C(C)(C)C)nc2C1)c1nc(-c2cccnc2)no1 ZINC000426597297 533621339 /nfs/dbraw/zinc/62/13/39/533621339.db2.gz WAOQHDAIXIWUIF-LBPRGKRZSA-N 0 0 393.451 3.006 50 0 GGAARN COc1ccccc1Nc1nc(-c2cnc(N3CCCCC3)nc2C)cc(=O)[nH]1 ZINC000039383631 132390904 /nfs/dbraw/zinc/39/09/04/132390904.db2.gz OYCVHLXWOPEBSE-UHFFFAOYSA-N 0 0 392.463 3.278 50 0 GGAARN COc1cccc(-c2noc(-c3ccc(N4CCCC[C@@H]4CO)nc3)n2)c1OC ZINC000039467734 132391497 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Cc1cc2ccccc2n1CCC(=O)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000055326479 132445317 /nfs/dbraw/zinc/44/53/17/132445317.db2.gz IDLFFMKLVSSYMA-UHFFFAOYSA-N 0 0 377.492 3.095 50 0 GGAARN O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccco1 ZINC000056945915 132448231 /nfs/dbraw/zinc/44/82/31/132448231.db2.gz CBJFCSYRIYLHSP-SFHVURJKSA-N 0 0 383.423 3.305 50 0 GGAARN COc1ccc(-c2noc(CN3CCN(c4ccccc4F)CC3)n2)cc1OC ZINC000057293309 132450330 /nfs/dbraw/zinc/45/03/30/132450330.db2.gz ZEFFABDIQVZHCG-UHFFFAOYSA-N 0 0 398.438 3.215 50 0 GGAARN C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000061718404 136155938 /nfs/dbraw/zinc/15/59/38/136155938.db2.gz PCYXPCGXEXYZGV-INIZCTEOSA-N 0 0 391.475 3.027 50 0 GGAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1coc(NC(=O)c2cccs2)n1 ZINC000062023080 136156297 /nfs/dbraw/zinc/15/62/97/136156297.db2.gz KBWSZMFZKQONLA-UHFFFAOYSA-N 0 0 398.444 3.077 50 0 GGAARN Cc1ccc(C)c(N2CCN(C(=O)c3coc(NC(=O)c4ccco4)n3)CC2)c1 ZINC000062023050 136156330 /nfs/dbraw/zinc/15/63/30/136156330.db2.gz KMPRSYFSMXZEBM-UHFFFAOYSA-N 0 0 394.431 3.099 50 0 GGAARN O=c1cc(N2CCN(Cc3ccc(-c4ccc(Cl)cc4F)o3)CC2)cn[nH]1 ZINC000063846315 136156566 /nfs/dbraw/zinc/15/65/66/136156566.db2.gz OFXBYGPRTVKLNP-UHFFFAOYSA-N 0 0 388.830 3.145 50 0 GGAARN Cc1nn(-c2ccc(N3CCCCC3)nn2)c2c1[C@H](c1ccsc1)CC(=O)N2 ZINC000065365935 136163748 /nfs/dbraw/zinc/16/37/48/136163748.db2.gz MSNACWQDHYMBSO-HNNXBMFYSA-N 0 0 394.504 3.497 50 0 GGAARN CCc1cnc(C)nc1N1CCN(Cc2cc(Cl)c(O)c(OC)c2)CC1 ZINC000065424167 136163922 /nfs/dbraw/zinc/16/39/22/136163922.db2.gz ZPMAPYXTYZLOPD-UHFFFAOYSA-N 0 0 376.888 3.037 50 0 GGAARN Cc1cc(-n2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)nn2)ccc1F ZINC000067263166 136164473 /nfs/dbraw/zinc/16/44/73/136164473.db2.gz RXYRSVAZCXEEOG-UHFFFAOYSA-N 0 0 399.857 3.331 50 0 GGAARN Cc1cc(-n2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nn2)ccc1F ZINC000067263160 136164510 /nfs/dbraw/zinc/16/45/10/136164510.db2.gz LTTHRWPFRLMAND-UHFFFAOYSA-N 0 0 399.857 3.331 50 0 GGAARN Cc1ccc(N2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)CC2)cc1 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CCOC(=O)c1c(C)oc2cc(Br)c(OS(C)(=O)=O)cc21 ZINC000001799014 564186402 /nfs/dbraw/zinc/18/64/02/564186402.db2.gz VKOXIWQIKZXGDH-UHFFFAOYSA-N 0 0 377.212 3.019 50 0 GGAARN O=C(Nc1ccc(Br)cc1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002121105 564186453 /nfs/dbraw/zinc/18/64/53/564186453.db2.gz QRZYASGRRPNXNA-OLZOCXBDSA-N 0 0 388.265 3.262 50 0 biogenic GGAARN O=c1/c(=C/c2c(F)cccc2Cl)sc2nc(-c3ccc(F)cc3)nn12 ZINC000002263850 564186573 /nfs/dbraw/zinc/18/65/73/564186573.db2.gz YEEZILFFJXYQMD-ZSOIEALJSA-N 0 0 375.787 3.297 50 0 GGAARN C[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)NCCCO)C1 ZINC000001871021 564186580 /nfs/dbraw/zinc/18/65/80/564186580.db2.gz PVVPYPYNQMLAOW-LLVKDONJSA-N 0 0 378.519 3.299 50 0 GGAARN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C(=S)Nc2ccc(F)c(Cl)c2)C1 ZINC000002157156 564186781 /nfs/dbraw/zinc/18/67/81/564186781.db2.gz RXKCHYZFZMUMFH-NWDGAFQWSA-N 0 0 377.872 3.457 50 0 biogenic GGAARN Cc1c(C(N)=O)sc(NC(=O)/C=C/c2cccs2)c1C(=O)OC(C)C ZINC000002091107 564186871 /nfs/dbraw/zinc/18/68/71/564186871.db2.gz GNSOZJZKRWJCOP-VOTSOKGWSA-N 0 0 378.475 3.434 50 0 GGAARN Cc1ccc(/C=c2/sc3nc(-c4ccccc4Br)nn3c2=O)cc1 ZINC000002371525 564187627 /nfs/dbraw/zinc/18/76/27/564187627.db2.gz PVXIOLRRHRDSPS-XNTDXEJSSA-N 0 0 398.285 3.437 50 0 GGAARN C[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000002458581 564187634 /nfs/dbraw/zinc/18/76/34/564187634.db2.gz JHKQNGMQGDPZRH-LBPRGKRZSA-N 0 0 397.294 3.242 50 0 GGAARN C[C@H](C(=O)Nc1ccc(Br)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000002458583 564187640 /nfs/dbraw/zinc/18/76/40/564187640.db2.gz JHKQNGMQGDPZRH-GFCCVEGCSA-N 0 0 397.294 3.242 50 0 GGAARN Nn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1 ZINC000002398456 564187816 /nfs/dbraw/zinc/18/78/16/564187816.db2.gz BOLXXHRRHOEXLL-UHFFFAOYSA-N 0 0 377.832 3.182 50 0 GGAARN CN1c2ccc(Br)cc2[C@@](O)(CC(=O)c2ccc(F)cc2)C1=O ZINC000002488852 564187836 /nfs/dbraw/zinc/18/78/36/564187836.db2.gz ULILGZBLPQJJEV-KRWDZBQOSA-N 0 0 378.197 3.025 50 0 GGAARN COc1ccc(/C=C2\N=C(c3ccc(Br)cc3)NC2=O)cc1OC ZINC000002338357 564187838 /nfs/dbraw/zinc/18/78/38/564187838.db2.gz SYWIUJUHJCGSKJ-ZROIWOOFSA-N 0 0 387.233 3.384 50 0 GGAARN O=C(/C=C/c1ccc(Cl)cc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000002441961 564187841 /nfs/dbraw/zinc/18/78/41/564187841.db2.gz ZZLVALDLGVUMEP-CDVVCGDMSA-N 0 0 379.865 3.162 50 0 GGAARN CN(C)c1ccc(NC(=O)COC(=O)c2ccccc2Br)cc1 ZINC000002632956 564188578 /nfs/dbraw/zinc/18/85/78/564188578.db2.gz FSSUKZUVZDNFIO-UHFFFAOYSA-N 0 0 377.238 3.311 50 0 GGAARN CCOc1ccc2[nH]c(=NC(=O)CSC(=S)N(CC)CC)sc2c1 ZINC000002591828 564188734 /nfs/dbraw/zinc/18/87/34/564188734.db2.gz LKQHIVLKIWPDAQ-UHFFFAOYSA-N 0 0 383.564 3.415 50 0 GGAARN Cc1ccc(C)c(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)c1 ZINC000002532641 564188776 /nfs/dbraw/zinc/18/87/76/564188776.db2.gz JRXKBXLSOJGRNB-UHFFFAOYSA-N 0 0 386.249 3.415 50 0 GGAARN CSCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1Br ZINC000002755468 564189311 /nfs/dbraw/zinc/18/93/11/564189311.db2.gz GLSOSNVMHFUERW-CQSZACIVSA-N 0 0 399.310 3.325 50 0 GGAARN CCCC(=O)N[C@@H](NC(=S)Nc1ccccc1O)C(Cl)(Cl)Cl ZINC000002688020 564189413 /nfs/dbraw/zinc/18/94/13/564189413.db2.gz CZHBZKQSOOLKMP-NSHDSACASA-N 0 0 384.716 3.291 50 0 GGAARN CCCCOC(=O)c1ccc(NC(=O)c2nn(C)cc2Br)cc1 ZINC000002742655 564189588 /nfs/dbraw/zinc/18/95/88/564189588.db2.gz VSYBOSBINAJABF-UHFFFAOYSA-N 0 0 380.242 3.392 50 0 GGAARN CCCC(=O)N[C@H](NC(=S)Nc1cccc(O)c1)C(Cl)(Cl)Cl ZINC000002682887 564189602 /nfs/dbraw/zinc/18/96/02/564189602.db2.gz GUFOAKXMOGIGIZ-LLVKDONJSA-N 0 0 384.716 3.291 50 0 GGAARN Cc1nn(Cc2ccc(C(=O)NCc3ccco3)o2)c(C)c1Br ZINC000002753898 564189690 /nfs/dbraw/zinc/18/96/90/564189690.db2.gz KBOKGWVBTKSMTB-UHFFFAOYSA-N 0 0 378.226 3.427 50 0 GGAARN CCn1nc(C)c(NC(=O)[C@]2(C)CC2(Br)Br)c1C ZINC000002766854 564189712 /nfs/dbraw/zinc/18/97/12/564189712.db2.gz WTDHBHSMENHLFH-NSHDSACASA-N 0 0 379.096 3.354 50 0 GGAARN O=c1oc2cc(O)ccc2cc1S(=O)(=O)c1ccc(Br)cc1 ZINC000002687257 564189801 /nfs/dbraw/zinc/18/98/01/564189801.db2.gz 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/nfs/dbraw/zinc/19/06/30/564190630.db2.gz CYLOQVLNJYPCIR-XNTDXEJSSA-N 0 0 377.805 3.023 50 0 GGAARN COc1cc(NC(=S)NC(=O)c2cccs2)ccc1NC(=O)C(C)C ZINC000002825634 564190644 /nfs/dbraw/zinc/19/06/44/564190644.db2.gz JIFDCXSMUNDEOL-UHFFFAOYSA-N 0 0 377.491 3.478 50 0 GGAARN O=C(CN1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002830604 564190847 /nfs/dbraw/zinc/19/08/47/564190847.db2.gz VISLFAZBNJJBBL-WDEREUQCSA-N 0 0 387.650 3.450 50 0 GGAARN CC(=O)N(C)c1ccc(NC(=O)[C@H](C)n2ncc(Br)c2C)cc1 ZINC000002802550 564190854 /nfs/dbraw/zinc/19/08/54/564190854.db2.gz JANJVPLVXPBFFI-NSHDSACASA-N 0 0 379.258 3.136 50 0 GGAARN C[C@H](NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O)c1ccccc1 ZINC000002881057 564191234 /nfs/dbraw/zinc/19/12/34/564191234.db2.gz CCHCOMMCAXBEGX-LBPRGKRZSA-N 0 0 384.860 3.123 50 0 GGAARN CCc1ccccc1N(CC(=O)Nc1ccccc1SC)S(C)(=O)=O ZINC000002857618 564191358 /nfs/dbraw/zinc/19/13/58/564191358.db2.gz OZZJQDYUEGZXFT-UHFFFAOYSA-N 0 0 378.519 3.376 50 0 GGAARN COc1ccc(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1 ZINC000002890980 564191430 /nfs/dbraw/zinc/19/14/30/564191430.db2.gz JNHVTMPIRMTBFV-UHFFFAOYSA-N 0 0 375.841 3.055 50 0 GGAARN CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1ccc(F)c(Cl)c1 ZINC000002879083 564191464 /nfs/dbraw/zinc/19/14/64/564191464.db2.gz WIVHPUNLFLKLLU-UHFFFAOYSA-N 0 0 392.786 3.162 50 0 GGAARN Cc1ccc(Cl)cc1N(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O ZINC000002857102 564191486 /nfs/dbraw/zinc/19/14/86/564191486.db2.gz WAOBCCBUTHNTFO-UHFFFAOYSA-N 0 0 388.823 3.331 50 0 in-vitro GGAARN COCCNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000002852453 564191562 /nfs/dbraw/zinc/19/15/62/564191562.db2.gz HVEIPZMCVXVJJX-UHFFFAOYSA-N 0 0 377.238 3.078 50 0 GGAARN COC(=O)c1sc(NC(=S)Nc2ccc(Cl)cn2)c(C(=O)OC)c1C ZINC000002857964 564191813 /nfs/dbraw/zinc/19/18/13/564191813.db2.gz SYNJPNMHPVOZFE-UHFFFAOYSA-N 0 0 399.881 3.487 50 0 GGAARN CSc1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O ZINC000002875869 564191856 /nfs/dbraw/zinc/19/18/56/564191856.db2.gz 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O=C(CSc1nnc(NC(=O)c2ccco2)s1)Nc1ccc(F)cc1 ZINC000004078037 564200128 /nfs/dbraw/zinc/20/01/28/564200128.db2.gz OUOHEZSJEYLWOA-UHFFFAOYSA-N 0 0 378.410 3.253 50 0 GGAARN CCN(CC)C(=O)CSc1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000004341708 564201932 /nfs/dbraw/zinc/20/19/32/564201932.db2.gz JVVOIBOPPMEXGW-UHFFFAOYSA-N 0 0 375.885 3.429 50 0 GGAARN CN1C(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2C1=O ZINC000004263817 564202629 /nfs/dbraw/zinc/20/26/29/564202629.db2.gz XGYCAJVSDYHNBI-UHFFFAOYSA-N 0 0 379.199 3.237 50 0 GGAARN Cc1cn2c(ncc(C(=O)Nc3ccc(Br)c(C)c3)c2=O)s1 ZINC000004517325 564203868 /nfs/dbraw/zinc/20/38/68/564203868.db2.gz KDIFSWMHPAGXRJ-UHFFFAOYSA-N 0 0 378.251 3.388 50 0 GGAARN CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cccc(OC)c1 ZINC000004736505 564206147 /nfs/dbraw/zinc/20/61/47/564206147.db2.gz IAXWWIOHTQSDPE-UHFFFAOYSA-N 0 0 375.479 3.161 50 0 GGAARN CCN(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000004723189 564206181 /nfs/dbraw/zinc/20/61/81/564206181.db2.gz MGGZOPOWPFTEIC-AWEZNQCLSA-N 0 0 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/nfs/dbraw/zinc/30/41/13/564304113.db2.gz LFVDHYDQOVKFAV-PHIMTYICSA-N 0 0 392.315 3.133 50 0 GGAARN O=C(CN1CCOCC1)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 ZINC000019912436 564304281 /nfs/dbraw/zinc/30/42/81/564304281.db2.gz NNMMPTXAKNAACF-UHFFFAOYSA-N 0 0 386.304 3.311 50 0 GGAARN O=S(=O)(NCC1=CCCCC1)c1ccc(I)cc1 ZINC000019942772 564304296 /nfs/dbraw/zinc/30/42/96/564304296.db2.gz AORVESGECSNLFT-UHFFFAOYSA-N 0 0 377.247 3.070 50 0 GGAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019790164 564304325 /nfs/dbraw/zinc/30/43/25/564304325.db2.gz MHAINPCVYYTLFA-UHFFFAOYSA-N 0 0 385.316 3.500 50 0 GGAARN COc1ccc(Br)cc1CN1CCN(C(=O)c2ccco2)CC1 ZINC000019773481 564304343 /nfs/dbraw/zinc/30/43/43/564304343.db2.gz CPBCPQBBMVIKGD-UHFFFAOYSA-N 0 0 379.254 3.009 50 0 GGAARN O=C(CN1CCOCC1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000019910902 564304349 /nfs/dbraw/zinc/30/43/49/564304349.db2.gz OPNXTKHNCHWBSK-UHFFFAOYSA-N 0 0 386.304 3.311 50 0 GGAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000019841734 564304461 /nfs/dbraw/zinc/30/44/61/564304461.db2.gz CAUMIQIXZGHLIS-UHFFFAOYSA-N 0 0 385.316 3.500 50 0 GGAARN CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2NC(=O)c2ccco2)CC1 ZINC000019908632 564304470 /nfs/dbraw/zinc/30/44/70/564304470.db2.gz UGWLZMQLTMPPDR-UHFFFAOYSA-N 0 0 382.247 3.226 50 0 GGAARN COc1ccc(Br)cc1CN1CCN(Cc2ccncc2)CC1 ZINC000019904710 564304479 /nfs/dbraw/zinc/30/44/79/564304479.db2.gz FQOXTPHWNICVAQ-UHFFFAOYSA-N 0 0 376.298 3.171 50 0 GGAARN COc1ccc(Br)cc1CN1CCN(C(=O)c2cccs2)CC1 ZINC000019789500 564304501 /nfs/dbraw/zinc/30/45/01/564304501.db2.gz KUPMWYIUVWDNOC-UHFFFAOYSA-N 0 0 395.322 3.477 50 0 GGAARN O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000019879657 564304506 /nfs/dbraw/zinc/30/45/06/564304506.db2.gz YXOLQXALPKEGRI-UHFFFAOYSA-N 0 0 388.309 3.205 50 0 GGAARN CN1c2ccc(Br)cc2[C@@]2(NCCc3c4ccccc4[nH]c32)C1=O ZINC000020064200 564305394 /nfs/dbraw/zinc/30/53/94/564305394.db2.gz JAYMFVKDUPYNNJ-IBGZPJMESA-N 0 0 382.261 3.296 50 0 biogenic GGAARN CCN1C(=O)S/C(=C\c2ccc(O)c(I)c2)C1=O ZINC000020544949 564306265 /nfs/dbraw/zinc/30/62/65/564306265.db2.gz ZBJSAHXLRCTUES-POHAHGRESA-N 0 0 375.187 3.053 50 0 GGAARN Cc1cc(Cl)cc(Br)c1OCCOCCN1CCOCC1 ZINC000020639642 564306564 /nfs/dbraw/zinc/30/65/64/564306564.db2.gz IUDJMTDPNLZVAA-UHFFFAOYSA-N 0 0 378.694 3.139 50 0 GGAARN O=C(Nc1ccc(Br)cc1F)c1ccc(Cl)cc1-n1cnnn1 ZINC000020732066 564307558 /nfs/dbraw/zinc/30/75/58/564307558.db2.gz FVVQXNBJNBHIPX-UHFFFAOYSA-N 0 0 396.607 3.470 50 0 GGAARN Fc1ccc(Br)cc1[C@@H]1C[C@@H](c2cccnc2)Nc2nnnn21 ZINC000020754213 564307609 /nfs/dbraw/zinc/30/76/09/564307609.db2.gz ONBMILGZTMCPPK-KBPBESRZSA-N 0 0 375.205 3.116 50 0 GGAARN CSc1nnc(NC(=O)c2cc(=O)c3ccc(Br)cc3o2)s1 ZINC000021351797 564310036 /nfs/dbraw/zinc/31/00/36/564310036.db2.gz XKTXLASCXYHGLK-UHFFFAOYSA-N 0 0 398.263 3.381 50 0 GGAARN Cc1cc(-c2nnc3sc(COc4ccc(Br)cc4)nn32)[nH]n1 ZINC000022501766 564317553 /nfs/dbraw/zinc/31/75/53/564317553.db2.gz CWVGCXLNYWZROB-UHFFFAOYSA-N 0 0 391.254 3.226 50 0 GGAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccccc1Br ZINC000023744562 564326728 /nfs/dbraw/zinc/32/67/28/564326728.db2.gz IQXVPOIUGUPDAZ-OAHLLOKOSA-N 0 0 395.322 3.314 50 0 GGAARN CCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610344 564332254 /nfs/dbraw/zinc/33/22/54/564332254.db2.gz CCGIUSCUTKPIND-AWEZNQCLSA-N 0 0 386.945 3.187 50 0 GGAARN COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C)cc1Cl ZINC000026099370 564343771 /nfs/dbraw/zinc/34/37/71/564343771.db2.gz JQIQFPDWBIEHNY-UHFFFAOYSA-N 0 0 395.893 3.388 50 0 GGAARN O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCCN(c2ncccn2)C1 ZINC000027602470 564356150 /nfs/dbraw/zinc/35/61/50/564356150.db2.gz WZLIXWLXRAHTBA-AWEZNQCLSA-N 0 0 376.913 3.255 50 0 GGAARN CCCSc1ncc(Br)c(C(=O)Nc2nnc(CC)s2)n1 ZINC000027794748 564356764 /nfs/dbraw/zinc/35/67/64/564356764.db2.gz LSGMDRHUPFXTOF-UHFFFAOYSA-N 0 0 388.316 3.407 50 0 GGAARN CCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(F)cc1F ZINC000027818557 564357003 /nfs/dbraw/zinc/35/70/03/564357003.db2.gz VXZAJQIMNSEIOJ-UHFFFAOYSA-N 0 0 381.429 3.487 50 0 GGAARN CCCCOc1c(Cl)cc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000027794109 564357156 /nfs/dbraw/zinc/35/71/56/564357156.db2.gz LVHMLOYCDVMCGK-NSHDSACASA-N 0 0 380.293 3.089 50 0 GGAARN Cc1ccc(OCC(=O)OCC(=O)Nc2cccc(Br)c2)cc1 ZINC000028614050 564363527 /nfs/dbraw/zinc/36/35/27/564363527.db2.gz XLWPZGTUXHWHGG-UHFFFAOYSA-N 0 0 378.222 3.318 50 0 GGAARN Cc1ccc(OCC(=O)OCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000028614025 564363562 /nfs/dbraw/zinc/36/35/62/564363562.db2.gz YCKKBKQDJMYTKQ-UHFFFAOYSA-N 0 0 378.222 3.318 50 0 GGAARN COc1cc(OC)c(NC(=O)COC(=O)c2ccnc(Cl)c2)cc1Cl ZINC000029529525 564371202 /nfs/dbraw/zinc/37/12/02/564371202.db2.gz RZYREMDYFVNGIF-UHFFFAOYSA-N 0 0 385.203 3.201 50 0 GGAARN CSc1nc2ncc3c(ccn(-c4cc(Cl)ccc4Cl)c3=O)n2n1 ZINC000030875412 564385561 /nfs/dbraw/zinc/38/55/61/564385561.db2.gz YDAJWUYCBMJEKL-UHFFFAOYSA-N 0 0 378.244 3.457 50 0 GGAARN CCOC(=O)c1c(N)sc2c1CCN(CC(=O)c1ccc(Cl)cc1)C2 ZINC000031829568 564393577 /nfs/dbraw/zinc/39/35/77/564393577.db2.gz GGYCUPWQNCJGGH-UHFFFAOYSA-N 0 0 378.881 3.401 50 0 GGAARN COc1ccc(-c2nnc3sc(-c4n[nH]cc4Br)nn32)cc1 ZINC000031811506 564393644 /nfs/dbraw/zinc/39/36/44/564393644.db2.gz AFJFXHIIQXBJLS-UHFFFAOYSA-N 0 0 377.227 3.014 50 0 GGAARN CCCOc1cc(S(=O)(=O)N2CCC(C(=O)OCC)CC2)ccc1Cl ZINC000031903930 564393912 /nfs/dbraw/zinc/39/39/12/564393912.db2.gz WKXGUIGZLACPMI-UHFFFAOYSA-N 0 0 389.901 3.093 50 0 GGAARN Clc1ccc(-c2nnc3sc(-c4ccc5nnnn5c4)nn32)c(Cl)c1 ZINC000032090983 564395690 /nfs/dbraw/zinc/39/56/90/564395690.db2.gz IGBQJUKNCLNLMH-UHFFFAOYSA-N 0 0 389.231 3.264 50 0 GGAARN O=C(NCc1ccccc1)c1cn2c3c(cc(Br)cc3c1=O)CC2 ZINC000033088965 564410063 /nfs/dbraw/zinc/41/00/63/564410063.db2.gz HDOLKUYLHHOODN-UHFFFAOYSA-N 0 0 383.245 3.250 50 0 GGAARN O=S(=O)(Nc1ccc(I)cc1F)c1ccccc1 ZINC000033880740 564413649 /nfs/dbraw/zinc/41/36/49/564413649.db2.gz XJEYOEOXRXDTEJ-UHFFFAOYSA-N 0 0 377.178 3.231 50 0 GGAARN CC(C)(C)C(=O)Nc1nc2[nH]cc(I)c2c(Cl)n1 ZINC000034569756 564414340 /nfs/dbraw/zinc/41/43/40/564414340.db2.gz KZDHRXDFCHHFEJ-UHFFFAOYSA-N 0 0 378.601 3.201 50 0 GGAARN O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000035686378 564416007 /nfs/dbraw/zinc/41/60/07/564416007.db2.gz FPDMYTJOAGCTEN-SECBINFHSA-N 0 0 380.832 3.200 50 0 GGAARN Cc1cc(SCC(=O)Nc2nc(-c3cccs3)cs2)n2cnnc2n1 ZINC000035670653 564416295 /nfs/dbraw/zinc/41/62/95/564416295.db2.gz MKNBSAVDQGYDJS-UHFFFAOYSA-N 0 0 388.503 3.349 50 0 GGAARN O=C(Cn1ccc2c1cccc2Br)N1CCN(c2ccccn2)CC1 ZINC000040286618 564427205 /nfs/dbraw/zinc/42/72/05/564427205.db2.gz YYUKQKDWKJVHSX-UHFFFAOYSA-N 0 0 399.292 3.148 50 0 GGAARN Cn1cc(-c2nn3c(nnc3-c3cc(Br)ccc3F)s2)cn1 ZINC000040266596 564427262 /nfs/dbraw/zinc/42/72/62/564427262.db2.gz PINRCBYFAJNGLS-UHFFFAOYSA-N 0 0 379.218 3.155 50 0 GGAARN COC(=O)[C@@H]1C[C@H](Oc2ccc(-c3ccccc3)cc2Br)CN1 ZINC000042783091 564449663 /nfs/dbraw/zinc/44/96/63/564449663.db2.gz FMXKAMYESXOGFS-HOCLYGCPSA-N 0 0 376.250 3.398 50 0 GGAARN COC(=O)[C@@H]1C[C@H](Oc2ccc(Br)cc2-c2ccccc2)CN1 ZINC000042783103 564449715 /nfs/dbraw/zinc/44/97/15/564449715.db2.gz HARAEFPIGYRMCW-HOCLYGCPSA-N 0 0 376.250 3.398 50 0 GGAARN Cc1c(Cl)cccc1S(=O)(=O)NCC1CCN(c2ccccn2)CC1 ZINC000043955224 564462757 /nfs/dbraw/zinc/46/27/57/564462757.db2.gz ZGFFSRRPPRURQV-UHFFFAOYSA-N 0 0 379.913 3.238 50 0 GGAARN Cc1cc(C(=O)Nc2nnc(SCC(=O)Nc3nccs3)s2)c(C)o1 ZINC000043939670 564463256 /nfs/dbraw/zinc/46/32/56/564463256.db2.gz ZRNLYIPWVPUSMY-UHFFFAOYSA-N 0 0 395.491 3.188 50 0 GGAARN O=C(CSc1nccnc1N1CCSCC1)Nc1ccccc1Cl ZINC000048987227 564547181 /nfs/dbraw/zinc/54/71/81/564547181.db2.gz NCNNMWAATLQEIQ-UHFFFAOYSA-N 0 0 380.926 3.414 50 0 GGAARN O=S(=O)(c1ccc(Br)s1)N1CC(c2nc3ccccc3[nH]2)C1 ZINC000056907597 564654407 /nfs/dbraw/zinc/65/44/07/564654407.db2.gz SAJCXUOUBFBROO-UHFFFAOYSA-N 0 0 398.307 3.175 50 0 GGAARN CN(C)[C@@H](CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000077200669 564862878 /nfs/dbraw/zinc/86/28/78/564862878.db2.gz KHFCFOKQLOFPEF-AWEZNQCLSA-N 0 0 376.400 3.021 50 0 GGAARN Cn1nccc1-c1nn2c(nnc2-c2ccc(Br)cc2F)s1 ZINC000072402108 564863055 /nfs/dbraw/zinc/86/30/55/564863055.db2.gz FUNOXUCOCCBNDH-UHFFFAOYSA-N 0 0 379.218 3.155 50 0 GGAARN O=C(COc1ccccc1F)NCC(O)(c1cccs1)c1cccs1 ZINC000090617058 564870242 /nfs/dbraw/zinc/87/02/42/564870242.db2.gz WCJICDANTFFXPX-UHFFFAOYSA-N 0 0 377.462 3.380 50 0 GGAARN CC(C)CNC(=O)N1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000091695149 564871266 /nfs/dbraw/zinc/87/12/66/564871266.db2.gz LZGRFDKTXVUEFW-UHFFFAOYSA-N 0 0 378.826 3.237 50 0 GGAARN Cc1nc(CCNC(=O)C2CCN(C(=O)C3CCCC3)CC2)sc1Cl ZINC000091907134 564874034 /nfs/dbraw/zinc/87/40/34/564874034.db2.gz SZWDQZIVXXBODB-UHFFFAOYSA-N 0 0 383.945 3.192 50 0 GGAARN CCc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000095353356 564898605 /nfs/dbraw/zinc/89/86/05/564898605.db2.gz SRPBKZHCVALVFX-DZGCQCFKSA-N 0 0 379.961 3.189 50 0 GGAARN O=C(c1ccc(Cl)s1)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC000095359102 564898894 /nfs/dbraw/zinc/89/88/94/564898894.db2.gz KICVBBDMFKZVDZ-GXTWGEPZSA-N 0 0 375.881 3.173 50 0 GGAARN Cn1ncc(Cl)c1-c1nnc2sc(-c3ccc(Br)o3)nn21 ZINC000095477299 564900143 /nfs/dbraw/zinc/90/01/43/564900143.db2.gz GMZDDAKUGQXXOF-UHFFFAOYSA-N 0 0 385.634 3.262 50 0 GGAARN COC(=O)CC1CCN(C(=O)c2nc(Br)sc2C(C)C)CC1 ZINC000095477565 564900317 /nfs/dbraw/zinc/90/03/17/564900317.db2.gz PGGFPAFEYMGGIA-UHFFFAOYSA-N 0 0 389.315 3.444 50 0 GGAARN O=C(NCCc1ccncc1)c1cc(-c2ccc(Br)s2)n[nH]1 ZINC000095476866 564900397 /nfs/dbraw/zinc/90/03/97/564900397.db2.gz BIHQUUAVFUXGOA-UHFFFAOYSA-N 0 0 377.267 3.268 50 0 GGAARN Cc1c(I)c2cccnc2n1S(=O)(=O)c1ccccc1 ZINC000095742645 564900408 /nfs/dbraw/zinc/90/04/08/564900408.db2.gz RRRQJTMQOAZRSU-UHFFFAOYSA-N 0 0 398.225 3.186 50 0 GGAARN CSCc1ccc(C(=O)N2CCC[C@H](CNC(=O)c3cccs3)C2)o1 ZINC000095512107 564900431 /nfs/dbraw/zinc/90/04/31/564900431.db2.gz OWHYXEYMJZRVNO-CYBMUJFWSA-N 0 0 378.519 3.486 50 0 GGAARN O=S(=O)(NCC1(Sc2ccccc2)CCOCC1)c1ccccc1F ZINC000096119003 564900980 /nfs/dbraw/zinc/90/09/80/564900980.db2.gz SOEAEAIHYDFDHM-UHFFFAOYSA-N 0 0 381.494 3.446 50 0 GGAARN CSCc1nc(CCNC(=O)Nc2ccnn2Cc2ccco2)cs1 ZINC000096135933 564901199 /nfs/dbraw/zinc/90/11/99/564901199.db2.gz HEILTCGSSHIVLB-UHFFFAOYSA-N 0 0 377.495 3.208 50 0 GGAARN C[C@@]1(NC(=O)Nc2ccc(SCc3ccco3)cc2)CCS(=O)(=O)C1 ZINC000096139258 564901210 /nfs/dbraw/zinc/90/12/10/564901210.db2.gz KSRDFRHDIQKGTQ-QGZVFWFLSA-N 0 0 380.491 3.271 50 0 GGAARN CC(C)c1nc(CNS(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)cs1 ZINC000096101426 564901232 /nfs/dbraw/zinc/90/12/32/564901232.db2.gz UTYWHPGIJBQPPP-UHFFFAOYSA-N 0 0 376.406 3.067 50 0 GGAARN CCn1nc(Cc2cccs2)nc1-c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000096164641 564901262 /nfs/dbraw/zinc/90/12/62/564901262.db2.gz VVBDDZBWGCLWMO-UHFFFAOYSA-N 0 0 376.507 3.013 50 0 GGAARN CSCc1nc(CCNC(=O)Nc2ccc(F)c(NC(C)=O)c2)cs1 ZINC000096132951 564901281 /nfs/dbraw/zinc/90/12/81/564901281.db2.gz BAQNSLNCVNOBAW-UHFFFAOYSA-N 0 0 382.486 3.468 50 0 GGAARN CSCc1nc(CNC(=O)COCc2nc3cc(C)ccc3[nH]2)cs1 ZINC000097632120 564909628 /nfs/dbraw/zinc/90/96/28/564909628.db2.gz LNAJPYMQBRRVDH-UHFFFAOYSA-N 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O=C(Nc1ccc(F)cc1)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000186497730 565264180 /nfs/dbraw/zinc/26/41/80/565264180.db2.gz JCCHEWJIDPCTTI-UHFFFAOYSA-N 0 0 375.351 3.050 50 0 GGAARN Cc1ccc(S[C@H](C)C(=O)NCCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000164905994 565365595 /nfs/dbraw/zinc/36/55/95/565365595.db2.gz JFOKUQWAHSTHFT-CQSZACIVSA-N 0 0 381.494 3.205 50 0 GGAARN O=C1NC[C@@H](NCc2cccc(Br)c2)n2nc(-c3ccccc3)cc21 ZINC000169754472 565382197 /nfs/dbraw/zinc/38/21/97/565382197.db2.gz OPGCUHYUSJSFPT-SFHVURJKSA-N 0 0 397.276 3.344 50 0 GGAARN O=C(c1ccc(F)c(F)c1F)N1CC[C@H](c2cccs2)S(=O)(=O)CC1 ZINC000390830412 565558553 /nfs/dbraw/zinc/55/85/53/565558553.db2.gz KYLJIGOTZUWEHR-CYBMUJFWSA-N 0 0 389.420 3.167 50 0 GGAARN O=C(c1ccc(F)c(F)c1F)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 ZINC000390830413 565558999 /nfs/dbraw/zinc/55/89/99/565558999.db2.gz KYLJIGOTZUWEHR-ZDUSSCGKSA-N 0 0 389.420 3.167 50 0 GGAARN O=S(=O)(NCCc1ccc(-c2ccoc2)s1)c1ccc2c(c1)CCO2 ZINC000390830747 565559032 /nfs/dbraw/zinc/55/90/32/565559032.db2.gz 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Cc1cnn(C2CCCC2)c1NC(=O)N(C)Cc1nc(-c2ccccn2)no1 ZINC000096166328 570218332 /nfs/dbraw/zinc/21/83/32/570218332.db2.gz XYIUJLOBOZECOM-UHFFFAOYSA-N 0 0 381.440 3.416 50 0 GGAARN Fc1cccc(Cl)c1Cn1nc(C2CCCC2)nc1CCn1cnnn1 ZINC000096166586 570218415 /nfs/dbraw/zinc/21/84/15/570218415.db2.gz SLSUAWDMWZWWNP-UHFFFAOYSA-N 0 0 375.839 3.006 50 0 GGAARN CN1CCC[C@]2(CCN(C(=O)Nc3ccc(OCc4ccco4)cc3)C2)C1=O ZINC000096166632 570218434 /nfs/dbraw/zinc/21/84/34/570218434.db2.gz IUSJAFWDXHQYHX-OAQYLSRUSA-N 0 0 383.448 3.335 50 0 GGAARN CCOC(=O)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 ZINC000000703511 570218535 /nfs/dbraw/zinc/21/85/35/570218535.db2.gz OAWUOZHHFUZRBI-UHFFFAOYSA-N 0 0 384.819 3.295 50 0 GGAARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1cccc(F)c1 ZINC000004305287 570218556 /nfs/dbraw/zinc/21/85/56/570218556.db2.gz SGRQIRQPNBNGAD-LJQANCHMSA-N 0 0 393.418 3.277 50 0 GGAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccccc1F ZINC000004305274 570218770 /nfs/dbraw/zinc/21/87/70/570218770.db2.gz 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CC1(C)Cc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2C(=O)C1 ZINC000000716645 570220082 /nfs/dbraw/zinc/22/00/82/570220082.db2.gz YYHWBFNVGMFWQH-UHFFFAOYSA-N 0 0 397.456 3.204 50 0 GGAARN COc1ccc(C(=O)NC(=S)N2CCCC[C@@H]2c2cccnc2)cc1OC ZINC000001442180 570220223 /nfs/dbraw/zinc/22/02/23/570220223.db2.gz NBSGYTDQQVCASP-MRXNPFEDSA-N 0 0 385.489 3.341 50 0 biogenic GGAARN COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 ZINC000000723875 570220367 /nfs/dbraw/zinc/22/03/67/570220367.db2.gz RIBUWWKSMWATLH-GOSISDBHSA-N 0 0 396.468 3.214 50 0 GGAARN CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000721833 570220456 /nfs/dbraw/zinc/22/04/56/570220456.db2.gz FTMOCZVJBMCFKG-LJQANCHMSA-N 0 0 382.416 3.032 50 0 GGAARN Nc1ncc(-c2nnnn2-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000000721422 570220476 /nfs/dbraw/zinc/22/04/76/570220476.db2.gz UGKYFFBJQVNVAX-UHFFFAOYSA-N 0 0 383.337 3.387 50 0 GGAARN COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 ZINC000000724949 570220751 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COc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cc4ccncc4)cc3)C2=O)cc1 ZINC000001442396 570263547 /nfs/dbraw/zinc/26/35/47/570263547.db2.gz KZPLIBWNLXLBTH-OAQYLSRUSA-N 0 0 387.439 3.425 50 0 GGAARN CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)cc1 ZINC000001453838 570263728 /nfs/dbraw/zinc/26/37/28/570263728.db2.gz GILXKGFPSUZEON-HXUWFJFHSA-N 0 0 394.427 3.349 50 0 GGAARN CCOc1ccc(C(=O)N2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1 ZINC000098211685 570263876 /nfs/dbraw/zinc/26/38/76/570263876.db2.gz XJJBIWSWXSLJES-UHFFFAOYSA-N 0 0 376.460 3.438 50 0 GGAARN COc1ccc(N2C(=O)c3cccc4c(N5CCOCC5)ccc(c43)C2=O)cc1 ZINC000001515137 570264174 /nfs/dbraw/zinc/26/41/74/570264174.db2.gz KMZLHLPTZBAUDF-UHFFFAOYSA-N 0 0 388.423 3.486 50 0 GGAARN COc1ccc(-c2cc(N3CCN(C(=O)c4cccc(C)c4)CC3)n[nH]2)cc1 ZINC000098212527 570264187 /nfs/dbraw/zinc/26/41/87/570264187.db2.gz QWICEIKCAGRVHR-UHFFFAOYSA-N 0 0 376.460 3.356 50 0 GGAARN COc1ccc(-c2cc(N3CCN(C(=O)c4ccccc4F)CC3)n[nH]2)cc1 ZINC000098212508 570264220 /nfs/dbraw/zinc/26/42/20/570264220.db2.gz FGHOIQFUHNOQIX-UHFFFAOYSA-N 0 0 380.423 3.187 50 0 GGAARN O=C(Cn1cnc2c(-c3ccncc3)nsc2c1=O)Nc1cccc(Cl)c1 ZINC000049401644 570264320 /nfs/dbraw/zinc/26/43/20/570264320.db2.gz UYSNZDFSFNPBEX-UHFFFAOYSA-N 0 0 397.847 3.207 50 0 GGAARN COc1ccc(C(=O)N2CCN(c3cc(-c4ccc(OC)cc4)[nH]n3)CC2)cc1 ZINC000098212520 570264348 /nfs/dbraw/zinc/26/43/48/570264348.db2.gz LTTDLFDWCOMWAS-UHFFFAOYSA-N 0 0 392.459 3.056 50 0 GGAARN CC(C)(C)OC(=O)C1=NN(c2ccc(Cl)cc2)c2ncccc2S1(=O)=O ZINC000049403778 570264476 /nfs/dbraw/zinc/26/44/76/570264476.db2.gz MEBZGLSYGRXCPP-UHFFFAOYSA-N 0 0 393.852 3.316 50 0 GGAARN Cc1nc(-c2ccccc2)cc2nn(CC(=O)Nc3ccccc3Cl)c(=O)n21 ZINC000049407147 570265148 /nfs/dbraw/zinc/26/51/48/570265148.db2.gz PBDNHPHAFZPMSB-UHFFFAOYSA-N 0 0 393.834 3.159 50 0 GGAARN CC(C)Cc1nc2oc3c(ncnc3NCCN3CCOCC3)c2c2c1CCC2 ZINC000020533204 570265318 /nfs/dbraw/zinc/26/53/18/570265318.db2.gz HLOMHRWQXYLFOZ-UHFFFAOYSA-N 0 0 395.507 3.202 50 0 GGAARN O=C(CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1cccc(F)c1 ZINC000100033871 570265374 /nfs/dbraw/zinc/26/53/74/570265374.db2.gz DIOODIPJOMNHQC-OAHLLOKOSA-N 0 0 392.839 3.483 50 0 GGAARN COCCN1CCN(C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)CC1 ZINC000020537956 570266098 /nfs/dbraw/zinc/26/60/98/570266098.db2.gz KDICHUGRISGBCF-UHFFFAOYSA-N 0 0 393.487 3.017 50 0 GGAARN Fc1cccc(CN2CCN(Cc3nc(COc4ccccc4)no3)CC2)c1 ZINC000020536891 570266146 /nfs/dbraw/zinc/26/61/46/570266146.db2.gz OBRPPKNHBGRTKW-UHFFFAOYSA-N 0 0 382.439 3.106 50 0 GGAARN Cc1ccc2c(c1)C(=O)NC1(CCN(C(=O)Cc3ccc(Cl)cc3)CC1)N2C ZINC000049410038 570266180 /nfs/dbraw/zinc/26/61/80/570266180.db2.gz LBQFIVCRJNLILT-UHFFFAOYSA-N 0 0 397.906 3.389 50 0 biogenic GGAARN CCOc1ccccc1CN1CCN(Cc2cccc(OC)c2)C[C@@H]1CCO ZINC000020539201 570266270 /nfs/dbraw/zinc/26/62/70/570266270.db2.gz PYPOGKZDZXWLAA-NRFANRHFSA-N 0 0 384.520 3.163 50 0 GGAARN O=C1c2ccccc2[C@@]2(O)N(c3ccccc3)C(=S)N(c3ccccc3)[C@]12O ZINC000001625512 570266483 /nfs/dbraw/zinc/26/64/83/570266483.db2.gz QZYDMWIHROOQLJ-VXKWHMMOSA-N 0 0 388.448 3.028 50 0 GGAARN O=c1nc(N2CCC3(CC2)OCCO3)[nH]c2c(-c3cccc(F)c3)csc21 ZINC000049421030 570267131 /nfs/dbraw/zinc/26/71/31/570267131.db2.gz KIVQOPFGVGNBGT-UHFFFAOYSA-N 0 0 387.436 3.134 50 0 biogenic GGAARN CCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4C)c3[nH]2)C1 ZINC000049421406 570267139 /nfs/dbraw/zinc/26/71/39/570267139.db2.gz KOEBMEBTYSFZSV-AWEZNQCLSA-N 0 0 396.516 3.313 50 0 GGAARN COc1ccc([C@H](O)CN2CCN(c3ccccc3Cl)CC2)cc1OC ZINC000049420898 570267188 /nfs/dbraw/zinc/26/71/88/570267188.db2.gz LFTKWEGXMQWUIF-GOSISDBHSA-N 0 0 376.884 3.213 50 0 GGAARN CCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4C)c3[nH]2)C1 ZINC000049421405 570267213 /nfs/dbraw/zinc/26/72/13/570267213.db2.gz KOEBMEBTYSFZSV-CQSZACIVSA-N 0 0 396.516 3.313 50 0 GGAARN CCCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000049421109 570267334 /nfs/dbraw/zinc/26/73/34/570267334.db2.gz NFGBTEPTHZWRDY-HNNXBMFYSA-N 0 0 396.516 3.394 50 0 GGAARN CCOC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@H]1c1cccs1 ZINC000020559013 570267432 /nfs/dbraw/zinc/26/74/32/570267432.db2.gz QWQARMVAQFZAMO-SFHVURJKSA-N 0 0 385.489 3.051 50 0 GGAARN Cc1cn2c(CCC(=O)N3CCN(CCc4ccccc4)CC3)csc2n1 ZINC000049422458 570267446 /nfs/dbraw/zinc/26/74/46/570267446.db2.gz UORLPJFVPCITQM-UHFFFAOYSA-N 0 0 382.533 3.024 50 0 GGAARN COc1cc(OC)nc([C@H]2CCCC[C@@H]2C(=O)NCc2ccccc2OC)n1 ZINC000001742321 570267876 /nfs/dbraw/zinc/26/78/76/570267876.db2.gz MLTUAGYWLMPOFC-HOTGVXAUSA-N 0 0 385.464 3.093 50 0 GGAARN CC(C)Sc1ccc(CC(=O)N2CC(c3nc(-c4ncccn4)no3)C2)cc1 ZINC000049482808 570267949 /nfs/dbraw/zinc/26/79/49/570267949.db2.gz KNHOFTSMGFJPKC-UHFFFAOYSA-N 0 0 395.488 3.196 50 0 GGAARN COC(=O)c1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000001774468 570268218 /nfs/dbraw/zinc/26/82/18/570268218.db2.gz BGUIFRKTGBZZEW-UHFFFAOYSA-N 0 0 394.427 3.268 50 0 GGAARN CCc1cccc(CC)c1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000020567832 570268335 /nfs/dbraw/zinc/26/83/35/570268335.db2.gz JVTRBFUHIHDDCZ-UHFFFAOYSA-N 0 0 389.521 3.063 50 0 GGAARN Cc1ccc(-n2c(=O)[nH]c(=O)c3c2NCN([C@H](C)c2ccccc2)C3)cc1C ZINC000020567432 570268356 /nfs/dbraw/zinc/26/83/56/570268356.db2.gz RPNOUWLWNHIGJT-MRXNPFEDSA-N 0 0 376.460 3.089 50 0 GGAARN COc1ccc2[nH]c(C(=O)N3CCN(Cc4ccccc4)CC3)cc2c1OC ZINC000020572701 570268543 /nfs/dbraw/zinc/26/85/43/570268543.db2.gz SEWWLQVMNAYZGC-UHFFFAOYSA-N 0 0 379.460 3.143 50 0 GGAARN COC(=O)Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@H]2c1ccccc1 ZINC000049544154 570268737 /nfs/dbraw/zinc/26/87/37/570268737.db2.gz FGBVXHORGPNRHZ-INIZCTEOSA-N 0 0 394.452 3.283 50 0 GGAARN COc1cccc(Nc2ncnc3c2c(C)c(C)n3CCN2CCOCC2)c1 ZINC000020573656 570268861 /nfs/dbraw/zinc/26/88/61/570268861.db2.gz ISKMYWBRLVDUEH-UHFFFAOYSA-N 0 0 381.480 3.133 50 0 GGAARN COc1ccc(Nc2ncnc3c2c(C)c(C)n3CCN2CCOCC2)cc1 ZINC000020573771 570268903 /nfs/dbraw/zinc/26/89/03/570268903.db2.gz AHBZKFVGNKJNML-UHFFFAOYSA-N 0 0 381.480 3.133 50 0 GGAARN CC[C@@H](C)c1n[nH]c2c1CN(Cc1ccc(OC)c(Cn3cncn3)c1)CC2 ZINC000020600986 570269953 /nfs/dbraw/zinc/26/99/53/570269953.db2.gz OKKYMLNBWWNLHF-OAHLLOKOSA-N 0 0 380.496 3.130 50 0 GGAARN Cc1cc(NC(=O)Cn2nc(C)c3c2nc(C2CC2)cc3C(F)(F)F)n(C)n1 ZINC000020602450 570270270 /nfs/dbraw/zinc/27/02/70/570270270.db2.gz BSAQOIBDUYUGES-UHFFFAOYSA-N 0 0 392.385 3.317 50 0 GGAARN CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)OC ZINC000004763967 570270439 /nfs/dbraw/zinc/27/04/39/570270439.db2.gz BJSFNPSDQIHMRT-NJAFHUGGSA-N 0 0 392.496 3.031 50 0 GGAARN CCc1ccccc1OC1CN(C(=O)c2cccc(-c3nc(C)nn3C)c2)C1 ZINC000584901319 570270828 /nfs/dbraw/zinc/27/08/28/570270828.db2.gz GHTZCJXSUFZTDD-UHFFFAOYSA-N 0 0 376.460 3.256 50 0 GGAARN COCCCn1c2nc(-c3cnn(C)c3C)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020605603 570270867 /nfs/dbraw/zinc/27/08/67/570270867.db2.gz UWPPBKPLNFZOBB-UHFFFAOYSA-N 0 0 395.435 3.137 50 0 GGAARN CCn1ncc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(CCOC)c3n2)c1C ZINC000020604575 570270918 /nfs/dbraw/zinc/27/09/18/570270918.db2.gz OTVLWWWWNVVBSP-UHFFFAOYSA-N 0 0 395.435 3.230 50 0 GGAARN COCCn1cncc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000584901549 570271016 /nfs/dbraw/zinc/27/10/16/570271016.db2.gz FTYMTOLCMUAISB-UHFFFAOYSA-N 0 0 384.436 3.155 50 0 GGAARN O=C1[C@@H]2[C@H](c3ccccc3)N3CCCN3[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000100166013 570271067 /nfs/dbraw/zinc/27/10/67/570271067.db2.gz JOAKZCKRQZSRNR-SQNIBIBYSA-N 0 0 385.826 3.015 50 0 GGAARN Cc1cc(C)n(CCCN(C)C(=O)NCCCc2nc3ccccc3n2C)n1 ZINC000584901701 570271097 /nfs/dbraw/zinc/27/10/97/570271097.db2.gz PXEDGYRNYNGLPE-UHFFFAOYSA-N 0 0 382.512 3.051 50 0 GGAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)C1 ZINC000020607258 570271171 /nfs/dbraw/zinc/27/11/71/570271171.db2.gz JKHLRDNWHXXQPJ-VIFPVBQESA-N 0 0 389.399 3.069 50 0 GGAARN CCn1nc(C)c(CN2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)c1C ZINC000020606753 570271200 /nfs/dbraw/zinc/27/12/00/570271200.db2.gz GFKNWQXNJSAWTF-UHFFFAOYSA-N 0 0 386.565 3.418 50 0 GGAARN Cc1cc(C)n(C[C@@H](C)NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n1 ZINC000020607012 570271257 /nfs/dbraw/zinc/27/12/57/570271257.db2.gz ZKEMJUQGQCPQNZ-SECBINFHSA-N 0 0 385.415 3.285 50 0 GGAARN CCn1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)c(C)n1 ZINC000020607146 570271301 /nfs/dbraw/zinc/27/13/01/570271301.db2.gz HJABDGSKGFYZMA-GOSISDBHSA-N 0 0 377.452 3.039 50 0 GGAARN COc1cccc(SCC(=O)N[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 ZINC000584901944 570271363 /nfs/dbraw/zinc/27/13/63/570271363.db2.gz NXUAWJLPGCESAP-CQSZACIVSA-N 0 0 390.892 3.362 50 0 GGAARN CCn1nc(C)c([C@H](C)NC(=O)c2ccc(-c3cc(C)n[nH]c3=O)cc2)c1C ZINC000584901993 570271411 /nfs/dbraw/zinc/27/14/11/570271411.db2.gz ZQFCFJRJCGKHCN-ZDUSSCGKSA-N 0 0 379.464 3.482 50 0 GGAARN O=C([C@@H]1CC(c2ccc(F)cc2)=NO1)N1CC[C@@H](C(F)(F)F)n2nccc21 ZINC000020608268 570271508 /nfs/dbraw/zinc/27/15/08/570271508.db2.gz WXTBNGMRJDQCPL-KBPBESRZSA-N 0 0 382.317 3.056 50 0 GGAARN O=C([C@@H]1CC(c2ccc(F)cc2)=NO1)N1CC[C@H](C(F)(F)F)n2nccc21 ZINC000020608271 570271594 /nfs/dbraw/zinc/27/15/94/570271594.db2.gz WXTBNGMRJDQCPL-UONOGXRCSA-N 0 0 382.317 3.056 50 0 GGAARN CC(C)n1ncnc1-c1ccc(C(=O)N2CC[C@](O)(c3ccccc3)C2)cc1 ZINC000584902799 570271947 /nfs/dbraw/zinc/27/19/47/570271947.db2.gz DLHQCDIAESTEID-JOCHJYFZSA-N 0 0 376.460 3.260 50 0 GGAARN COC(=O)c1cc(-c2cccc(OC(F)F)c2)nc2c1c(=O)[nH]c(=S)n2C ZINC000020615516 570272369 /nfs/dbraw/zinc/27/23/69/570272369.db2.gz JXYSHXBYMNTTRU-UHFFFAOYSA-N 0 0 393.371 3.046 50 0 GGAARN COCCn1c2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020615672 570272464 /nfs/dbraw/zinc/27/24/64/570272464.db2.gz DNTRWMZQZIHDTD-UHFFFAOYSA-N 0 0 397.378 3.492 50 0 GGAARN COC(=O)c1cnn2c1N[C@H](c1ccc3c(c1)OCCO3)C[C@H]2C(F)(F)F ZINC000020616753 570272580 /nfs/dbraw/zinc/27/25/80/570272580.db2.gz QMCIFRAYMDIWTN-FZMZJTMJSA-N 0 0 383.326 3.101 50 0 GGAARN COC(=O)[C@@](NNc1ccccc1C)(NC(=O)c1cccc(C)c1)C(F)(F)F ZINC000002050533 570272602 /nfs/dbraw/zinc/27/26/02/570272602.db2.gz YDMAQZVDBGCMRI-SFHVURJKSA-N 0 0 395.381 3.082 50 0 GGAARN C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)n(C)n1)c1ccccc1 ZINC000020616836 570272617 /nfs/dbraw/zinc/27/26/17/570272617.db2.gz OHVRYKVMUNAVLK-CVEARBPZSA-N 0 0 376.460 3.402 50 0 GGAARN Cn1ncc(C(=O)Nc2cccnc2Cl)c1C(=O)Nc1cccnc1Cl ZINC000020616265 570272662 /nfs/dbraw/zinc/27/26/62/570272662.db2.gz BPOWQNBXIAAOIC-UHFFFAOYSA-N 0 0 391.218 3.022 50 0 GGAARN CCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1 ZINC000002060836 570272806 /nfs/dbraw/zinc/27/28/06/570272806.db2.gz NQUHFDGDJFAMCY-UHFFFAOYSA-N 0 0 386.521 3.452 50 0 GGAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCN(C)CC1)oc1c3CCCC1 ZINC000020622660 570272907 /nfs/dbraw/zinc/27/29/07/570272907.db2.gz FVRBYVVTEDCPBW-UHFFFAOYSA-N 0 0 394.471 3.043 50 0 GGAARN O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)c1ccccc1 ZINC000100547688 570273051 /nfs/dbraw/zinc/27/30/51/570273051.db2.gz DTGLTRYLTCKBGY-OALUTQOASA-N 0 0 389.407 3.182 50 0 GGAARN CCN(CC)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002064822 570273124 /nfs/dbraw/zinc/27/31/24/570273124.db2.gz IZGIBTCOKHXOSW-UHFFFAOYSA-N 0 0 378.469 3.198 50 0 GGAARN CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002070857 570273535 /nfs/dbraw/zinc/27/35/35/570273535.db2.gz XHXVCVXXSBOXLR-HNNXBMFYSA-N 0 0 382.844 3.368 50 0 GGAARN COc1ccc(C2(C(=O)N3CCN(Cc4ccccc4)CC3)CCOCC2)cc1 ZINC000020649891 570274118 /nfs/dbraw/zinc/27/41/18/570274118.db2.gz OBXZZTCHKRQYDR-UHFFFAOYSA-N 0 0 394.515 3.088 50 0 GGAARN O=C(N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O)C1CC1 ZINC000020649418 570274180 /nfs/dbraw/zinc/27/41/80/570274180.db2.gz JAWKEYBIFRUFRK-IBGZPJMESA-N 0 0 393.409 3.393 50 0 GGAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1ccc2c(c1)OCO2 ZINC000012232748 570274500 /nfs/dbraw/zinc/27/45/00/570274500.db2.gz DBOWFPMCYMCJAF-UHFFFAOYSA-N 0 0 380.425 3.424 50 0 GGAARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1nc(-c2ccccc2)cs1 ZINC000100708994 570274991 /nfs/dbraw/zinc/27/49/91/570274991.db2.gz HWMGQIIQSCTYAD-GJZGRUSLSA-N 0 0 383.473 3.314 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCc3cc4cccc(C)c4nc32)cc1OC ZINC000015842077 570275148 /nfs/dbraw/zinc/27/51/48/570275148.db2.gz SJFUWNGPJPIDDY-UHFFFAOYSA-N 0 0 384.457 3.312 50 0 GGAARN CCN(CC)C(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccc(OC)cc1 ZINC000002117499 570275339 /nfs/dbraw/zinc/27/53/39/570275339.db2.gz NHHZJBCRUAZVLJ-HKWRFOASSA-N 0 0 382.460 3.343 50 0 biogenic GGAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncccn2)c(OC)c1 ZINC000020715437 570275418 /nfs/dbraw/zinc/27/54/18/570275418.db2.gz BTKVCTOOKQBKMB-KRWDZBQOSA-N 0 0 397.460 3.412 50 0 GGAARN Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 ZINC000015842906 570275371 /nfs/dbraw/zinc/27/53/71/570275371.db2.gz HMLTVDCXNAGREE-GFCCVEGCSA-N 0 0 392.864 3.213 50 0 GGAARN COc1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)c(OC)c1 ZINC000005168600 570275435 /nfs/dbraw/zinc/27/54/35/570275435.db2.gz WPFPEOIEYPYVAO-UHFFFAOYSA-N 0 0 375.388 3.061 50 0 GGAARN COc1ccc(/C=C2\N=C3SCN(Cc4ccccc4)CN3C2=O)cc1OC ZINC000020714219 570275470 /nfs/dbraw/zinc/27/54/70/570275470.db2.gz GIOYZGODJNMKJR-YVLHZVERSA-N 0 0 395.484 3.407 50 0 GGAARN CC(C)CNC(=O)c1ccc2c(c1)nc1n2CCN(CCc2ccccc2)C1 ZINC000020715813 570275504 /nfs/dbraw/zinc/27/55/04/570275504.db2.gz NYNFRUHAQXZFQP-UHFFFAOYSA-N 0 0 376.504 3.480 50 0 GGAARN CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NCCC3=CCCCC3)cc2)C1=O ZINC000015843065 570275469 /nfs/dbraw/zinc/27/54/69/570275469.db2.gz CXXKBURUWRWXFK-UHFFFAOYSA-N 0 0 390.505 3.010 50 0 GGAARN Cc1cccc(C)c1NC(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1 ZINC000015843170 570275573 /nfs/dbraw/zinc/27/55/73/570275573.db2.gz PZAKQUHIKOCHFY-UHFFFAOYSA-N 0 0 386.473 3.258 50 0 GGAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccn3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000100733350 570275689 /nfs/dbraw/zinc/27/56/89/570275689.db2.gz OTHFPCWDHZPLEZ-PWRODBHTSA-N 0 0 385.423 3.128 50 0 GGAARN CCCCCNC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000002140675 570275737 /nfs/dbraw/zinc/27/57/37/570275737.db2.gz ZHSQGDQKCPDQHZ-UHFFFAOYSA-N 0 0 388.533 3.404 50 0 GGAARN CCCNC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O ZINC000020717250 570275735 /nfs/dbraw/zinc/27/57/35/570275735.db2.gz CNCVKWNGYBIYDE-UHFFFAOYSA-N 0 0 375.428 3.146 50 0 GGAARN O=C(C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccccc1F ZINC000020721691 570276456 /nfs/dbraw/zinc/27/64/56/570276456.db2.gz KETZAOHPKLQVRY-CQSZACIVSA-N 0 0 385.786 3.260 50 0 GGAARN Cc1ccc(C(=O)COC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000002152466 570276521 /nfs/dbraw/zinc/27/65/21/570276521.db2.gz KSMOBFVIDAOGSP-IBGZPJMESA-N 0 0 393.439 3.432 50 0 GGAARN O=C(C1=C(c2ccccc2)SCCO1)N1CCN(Cc2ccccc2)CC1 ZINC000020723068 570276513 /nfs/dbraw/zinc/27/65/13/570276513.db2.gz GJZWAPDLDZGLEQ-UHFFFAOYSA-N 0 0 380.513 3.463 50 0 GGAARN COc1cccc(N2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4c3cccc4OC)CC2)c1 ZINC000020724595 570276625 /nfs/dbraw/zinc/27/66/25/570276625.db2.gz JJJDILRDMIGSBB-OAQYLSRUSA-N 0 0 395.459 3.133 50 0 GGAARN COc1cccc(N2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4c3cccc4OC)CC2)c1 ZINC000020724598 570276661 /nfs/dbraw/zinc/27/66/61/570276661.db2.gz JJJDILRDMIGSBB-NRFANRHFSA-N 0 0 395.459 3.133 50 0 GGAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncccn2)cc1O ZINC000020725259 570276688 /nfs/dbraw/zinc/27/66/88/570276688.db2.gz KHQLAODLACKFEF-MRXNPFEDSA-N 0 0 383.433 3.109 50 0 GGAARN CN(C)c1cccc(-c2nn3c(COc4ccc5c(c4)OCO5)nnc3s2)c1 ZINC000020724412 570276746 /nfs/dbraw/zinc/27/67/46/570276746.db2.gz UCWVTNFJXPVSKY-UHFFFAOYSA-N 0 0 395.444 3.227 50 0 GGAARN COc1cccc(N2C[C@H](NC(=O)c3cccc(C(F)(F)F)c3)CC2=O)c1 ZINC000005194903 570276839 /nfs/dbraw/zinc/27/68/39/570276839.db2.gz BNLNTNRSMKOZLO-CQSZACIVSA-N 0 0 378.350 3.249 50 0 GGAARN COc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)cc1 ZINC000020726551 570276894 /nfs/dbraw/zinc/27/68/94/570276894.db2.gz UHJIQQFSVMCYGN-FQEVSTJZSA-N 0 0 375.428 3.070 50 0 GGAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCCOc1ccccc1)c1ccccc1 ZINC000002171072 570276954 /nfs/dbraw/zinc/27/69/54/570276954.db2.gz YZPZROBOJRLWBI-QFIPXVFZSA-N 0 0 388.467 3.223 50 0 GGAARN O=C(CCn1c(-c2ccccc2)cc2ccccc21)N[C@H]1CCS(=O)(=O)C1 ZINC000020728200 570276967 /nfs/dbraw/zinc/27/69/67/570276967.db2.gz JTJZAPHURGMXDQ-SFHVURJKSA-N 0 0 382.485 3.002 50 0 GGAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCCOc1ccccc1)c1ccccc1 ZINC000002171074 570277030 /nfs/dbraw/zinc/27/70/30/570277030.db2.gz YZPZROBOJRLWBI-JOCHJYFZSA-N 0 0 388.467 3.223 50 0 GGAARN S=C1N=NC(c2ccc3ccccc3n2)N1c1ccc(Cn2cncn2)cc1 ZINC000020726809 570277050 /nfs/dbraw/zinc/27/70/50/570277050.db2.gz UNAKVVJEONATMO-UHFFFAOYSA-N 0 0 385.456 3.411 50 0 GGAARN CC(C)c1nnc2ccc(N3CCC(C(=O)Nc4ccc(F)cc4)CC3)nn21 ZINC000020729172 570277246 /nfs/dbraw/zinc/27/72/46/570277246.db2.gz NTNQLCXIFURGHG-UHFFFAOYSA-N 0 0 382.443 3.242 50 0 GGAARN Cn1c(C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc2ccccc21 ZINC000020728866 570277247 /nfs/dbraw/zinc/27/72/47/570277247.db2.gz BDXOGCYXXGGXFX-UHFFFAOYSA-N 0 0 395.890 3.359 50 0 GGAARN Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)cc1 ZINC000015858386 570277307 /nfs/dbraw/zinc/27/73/07/570277307.db2.gz CUERNQHMMLVCNV-LBPRGKRZSA-N 0 0 392.864 3.213 50 0 GGAARN Cc1cc(C)cc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)c1 ZINC000015858257 570277369 /nfs/dbraw/zinc/27/73/69/570277369.db2.gz WOVVWQAHNBKDLO-UHFFFAOYSA-N 0 0 392.864 3.276 50 0 GGAARN COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cc(C)cc(C)c2)C(=O)N3)cc1 ZINC000020729937 570277332 /nfs/dbraw/zinc/27/73/32/570277332.db2.gz VLFIRVCRPVGUNG-QGZVFWFLSA-N 0 0 391.431 3.093 50 0 GGAARN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@H](c1c(F)cccc1Cl)CC(=O)N2 ZINC000020732412 570277434 /nfs/dbraw/zinc/27/74/34/570277434.db2.gz OKDXYXIYBDOWAN-VIFPVBQESA-N 0 0 397.801 3.114 50 0 GGAARN CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)C1=O ZINC000015858649 570277590 /nfs/dbraw/zinc/27/75/90/570277590.db2.gz IHQDBEURKQOEEP-UHFFFAOYSA-N 0 0 392.864 3.295 50 0 GGAARN Cc1cccc(C)c1NC(=O)c1cccc(N2C(=O)C(C)(C)CS2(=O)=O)c1 ZINC000015858634 570277603 /nfs/dbraw/zinc/27/76/03/570277603.db2.gz AAJVJFLBBBPLAS-UHFFFAOYSA-N 0 0 386.473 3.258 50 0 GGAARN CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3ccccc3Cl)c2)C1=O ZINC000015858647 570277645 /nfs/dbraw/zinc/27/76/45/570277645.db2.gz VMUUPJNNWPYHPK-UHFFFAOYSA-N 0 0 392.864 3.295 50 0 GGAARN Cc1ccc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)c(C)c1 ZINC000015858630 570277666 /nfs/dbraw/zinc/27/76/66/570277666.db2.gz UKDBLTIASIETAU-UHFFFAOYSA-N 0 0 386.473 3.258 50 0 GGAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccncc3)cc2)cc1 ZINC000012249891 570277715 /nfs/dbraw/zinc/27/77/15/570277715.db2.gz PMJQKESVSORSLP-UHFFFAOYSA-N 0 0 381.457 3.467 50 0 GGAARN COc1cc(OC)cc(-c2noc(-c3cn(C)c4ccc(F)cc4c3=O)n2)c1 ZINC000020734677 570277853 /nfs/dbraw/zinc/27/78/53/570277853.db2.gz YETXCLPMQMPVFA-UHFFFAOYSA-N 0 0 381.363 3.412 50 0 GGAARN COCc1c(-c2nnc(Cc3ccccc3)o2)nnn1-c1ccc(OC)cc1 ZINC000020736894 570278217 /nfs/dbraw/zinc/27/82/17/570278217.db2.gz PVEDQEJNCMZCHE-UHFFFAOYSA-N 0 0 377.404 3.063 50 0 GGAARN O=C(Cc1ccccc1)OCCCCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000100802314 570278181 /nfs/dbraw/zinc/27/81/81/570278181.db2.gz DPNPJAFXJHMTQW-IRXDYDNUSA-N 0 0 375.852 3.070 50 0 GGAARN COc1ccc(CC(=O)N[C@@H](CC(C)C)c2nnc3ccccn32)cc1OC ZINC000020738775 570278371 /nfs/dbraw/zinc/27/83/71/570278371.db2.gz YRTIVVOKOZKOEM-INIZCTEOSA-N 0 0 382.464 3.193 50 0 GGAARN O=C(Nc1ccc2oc(=O)ccc2c1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000020738156 570278382 /nfs/dbraw/zinc/27/83/82/570278382.db2.gz UJRPBQQPTADKMU-OAHLLOKOSA-N 0 0 396.830 3.434 50 0 GGAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ncccn2)c(OC)c1OC ZINC000020739690 570278393 /nfs/dbraw/zinc/27/83/93/570278393.db2.gz IDPDWVIIDUFWTP-CYBMUJFWSA-N 0 0 395.419 3.120 50 0 GGAARN O=C(NCCNC(=O)c1cc2ccccc2n1Cc1ccccc1)c1ccco1 ZINC000020739235 570278403 /nfs/dbraw/zinc/27/84/03/570278403.db2.gz CSDWOJFTXAMKHL-UHFFFAOYSA-N 0 0 387.439 3.442 50 0 GGAARN CCCC[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O ZINC000002191095 570278483 /nfs/dbraw/zinc/27/84/83/570278483.db2.gz XENFJAIGWWPZIS-SFHVURJKSA-N 0 0 397.402 3.407 50 0 GGAARN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000020744556 570278820 /nfs/dbraw/zinc/27/88/20/570278820.db2.gz XXTKRXOSKXBHLE-NSHDSACASA-N 0 0 381.346 3.249 50 0 GGAARN Cc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cc(C)cc(C)c2)C(=O)N3)cc1 ZINC000020745118 570279082 /nfs/dbraw/zinc/27/90/82/570279082.db2.gz CPORPPKXCRLBSS-QGZVFWFLSA-N 0 0 375.432 3.392 50 0 GGAARN CC(C)c1nnc2ccc(N3CCC(C(=O)Nc4ccccc4F)CC3)nn21 ZINC000020745058 570279092 /nfs/dbraw/zinc/27/90/92/570279092.db2.gz GCBIZEQLYMYBQA-UHFFFAOYSA-N 0 0 382.443 3.242 50 0 GGAARN CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(Cc2ccc3c(c2)OCO3)C1 ZINC000020745320 570279095 /nfs/dbraw/zinc/27/90/95/570279095.db2.gz QXMKJJSPZSQXRI-UHFFFAOYSA-N 0 0 394.431 3.349 50 0 GGAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2C)c1 ZINC000002216163 570279120 /nfs/dbraw/zinc/27/91/20/570279120.db2.gz KSAKPHVEKVXHJN-UHFFFAOYSA-N 0 0 396.472 3.293 50 0 GGAARN COc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncccn2)ccc1O ZINC000020745502 570279184 /nfs/dbraw/zinc/27/91/84/570279184.db2.gz SJHBUPOUKKCIHA-INIZCTEOSA-N 0 0 383.433 3.109 50 0 GGAARN CC(C)c1nnc2ccc(N3CCC(C(=O)N(C)Cc4ccccc4)CC3)nn21 ZINC000020745727 570279230 /nfs/dbraw/zinc/27/92/30/570279230.db2.gz BGZXLDCLPXXVFV-UHFFFAOYSA-N 0 0 392.507 3.123 50 0 GGAARN Cc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21 ZINC000020745792 570279298 /nfs/dbraw/zinc/27/92/98/570279298.db2.gz TUXBPUCWWNQIAX-HNNXBMFYSA-N 0 0 381.823 3.429 50 0 GGAARN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000020745445 570279360 /nfs/dbraw/zinc/27/93/60/570279360.db2.gz RMZQTZKSGAMGHH-UHFFFAOYSA-N 0 0 391.262 3.286 50 0 GGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)Nc1ccccc1)CC3 ZINC000020760600 570279506 /nfs/dbraw/zinc/27/95/06/570279506.db2.gz ISIYPLUKYNRLJI-UHFFFAOYSA-N 0 0 377.444 3.480 50 0 biogenic GGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)NCc1ccccc1)CC3 ZINC000020761663 570279650 /nfs/dbraw/zinc/27/96/50/570279650.db2.gz PSBLMRRSJSLXMO-UHFFFAOYSA-N 0 0 391.471 3.158 50 0 biogenic GGAARN COCCNC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCCC2 ZINC000002228369 570279711 /nfs/dbraw/zinc/27/97/11/570279711.db2.gz KEWXXGLFAXHSTA-UHFFFAOYSA-N 0 0 388.489 3.264 50 0 GGAARN OCC[C@H]1CN(Cc2cnn(-c3ccccc3)c2)CCN1Cc1cccs1 ZINC000020784457 570280240 /nfs/dbraw/zinc/28/02/40/570280240.db2.gz PIKHURISBNKFJW-FQEVSTJZSA-N 0 0 382.533 3.003 50 0 GGAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(S(=O)(=O)c4ccccc4)cc3)C(=O)[C@@H]2C1 ZINC000101006099 570280220 /nfs/dbraw/zinc/28/02/20/570280220.db2.gz WBBSDIDBPMPHMQ-MDASCCDHSA-N 0 0 383.469 3.445 50 0 GGAARN CCOC(=O)[C@](NC(=O)c1ccccc1)(OCc1ccccc1)C(F)(F)F ZINC000002257474 570280494 /nfs/dbraw/zinc/28/04/94/570280494.db2.gz SJABEXFYQCLCEF-SFHVURJKSA-N 0 0 381.350 3.455 50 0 GGAARN CN1CCN([C@@H](c2ccc(Cl)cc2)[C@@H](O)C(=O)c2c[nH]c3ccccc32)CC1 ZINC000101016214 570280540 /nfs/dbraw/zinc/28/05/40/570280540.db2.gz NHOTVTRLBDPUQL-RBBKRZOGSA-N 0 0 397.906 3.354 50 0 GGAARN CCOc1ccccc1CN1CCN(Cc2nc3ccccc3[nH]2)C[C@@H]1CCO ZINC000020786113 570280652 /nfs/dbraw/zinc/28/06/52/570280652.db2.gz GCFKLGHDMOPKJF-IBGZPJMESA-N 0 0 394.519 3.030 50 0 GGAARN CCOc1ccc2nc(NC(=N)NC(=O)c3ccccc3NC)nc(C)c2c1 ZINC000002283704 570281195 /nfs/dbraw/zinc/28/11/95/570281195.db2.gz VPPKWJMVJOIRBZ-UHFFFAOYSA-N 0 0 378.436 3.155 50 0 GGAARN Cc1ccc(NC(=S)NC(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000002284502 570281247 /nfs/dbraw/zinc/28/12/47/570281247.db2.gz LMJAUHXDRZRRPU-OAHLLOKOSA-N 0 0 399.497 3.467 50 0 GGAARN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc(Cl)cc1 ZINC000002290853 570281361 /nfs/dbraw/zinc/28/13/61/570281361.db2.gz BKWJAICUMTWCLX-CYBMUJFWSA-N 0 0 375.783 3.258 50 0 GGAARN Cc1noc(C)c1COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1 ZINC000101721815 570281687 /nfs/dbraw/zinc/28/16/87/570281687.db2.gz WIESIYACSHMJQX-HNNXBMFYSA-N 0 0 382.416 3.063 50 0 GGAARN CCc1nc2sc3c(ncnc3NCCN3CCOCC3)c2c2c1CCCC2 ZINC000020841155 570282106 /nfs/dbraw/zinc/28/21/06/570282106.db2.gz XIROIDHFISKGIG-UHFFFAOYSA-N 0 0 397.548 3.425 50 0 GGAARN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc2c(c1)OCCO2 ZINC000015880956 570282522 /nfs/dbraw/zinc/28/25/22/570282522.db2.gz UYZURZVGYWWMFY-UHFFFAOYSA-N 0 0 395.440 3.348 50 0 GGAARN COc1ccc(Cc2noc(-c3ccc(N(C)CCc4cn[nH]c4)nc3)n2)cc1 ZINC000020866365 570282641 /nfs/dbraw/zinc/28/26/41/570282641.db2.gz FXVQPLQDZHVQQI-UHFFFAOYSA-N 0 0 390.447 3.133 50 0 GGAARN CCCOc1ccc(N2C(=O)C=C(NNc3nc4ccccc4s3)C2O)cc1 ZINC000101389340 570283044 /nfs/dbraw/zinc/28/30/44/570283044.db2.gz PKUJRYUDQJKVND-MRXNPFEDSA-N 0 0 396.472 3.334 50 0 GGAARN O=C([C@@H](O)Cc1ccccc1)N1CCc2[nH]c(-c3ccc(Cl)cc3)nc2C1 ZINC000214965324 570283243 /nfs/dbraw/zinc/28/32/43/570283243.db2.gz NQGMEUKQJDVHMW-IBGZPJMESA-N 0 0 381.863 3.218 50 0 GGAARN O=C(Nc1c(F)cccc1F)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020898462 570283617 /nfs/dbraw/zinc/28/36/17/570283617.db2.gz AJTRQTRXJMINBF-UHFFFAOYSA-N 0 0 394.443 3.145 50 0 GGAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(C)c1 ZINC000020898289 570283755 /nfs/dbraw/zinc/28/37/55/570283755.db2.gz JJJQYUVVAQXLCK-UHFFFAOYSA-N 0 0 386.517 3.484 50 0 GGAARN COc1ccc(C2=Nc3ncnn3[C@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1 ZINC000100097266 570283821 /nfs/dbraw/zinc/28/38/21/570283821.db2.gz JHGXNMUULUHVKO-KRWDZBQOSA-N 0 0 394.431 3.369 50 0 GGAARN COc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3F)c2)c(OC)c1 ZINC000015883187 570284336 /nfs/dbraw/zinc/28/43/36/570284336.db2.gz HWHWXKRFVQYEIH-UHFFFAOYSA-N 0 0 382.391 3.305 50 0 GGAARN COc1ccccc1OCCCN1c2ccc(Cl)cc2[C@@H](NC(C)=O)C1=O ZINC000101678558 570284659 /nfs/dbraw/zinc/28/46/59/570284659.db2.gz SGSYANDBNAVIGW-LJQANCHMSA-N 0 0 388.851 3.342 50 0 GGAARN COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1Cl ZINC000002369584 570284694 /nfs/dbraw/zinc/28/46/94/570284694.db2.gz YQVCKPBLDGILCL-UHFFFAOYSA-N 0 0 389.868 3.270 50 0 GGAARN CCc1ccc(NC(=O)Cn2nc(C(=O)Nc3ccc(C)cc3)ccc2=O)cc1 ZINC000015884308 570285168 /nfs/dbraw/zinc/28/51/68/570285168.db2.gz VBAKAXROZJTJSV-UHFFFAOYSA-N 0 0 390.443 3.005 50 0 GGAARN Cc1ccc(C)c([C@H](NC(=O)c2cnc3ccccn3c2=O)c2cccnc2)c1 ZINC000215124842 570285575 /nfs/dbraw/zinc/28/55/75/570285575.db2.gz 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O=C1CN(Cc2ccoc2)C[C@@H](OCc2ccccn2)CN1Cc1ccccc1 ZINC000020995913 570286456 /nfs/dbraw/zinc/28/64/56/570286456.db2.gz BMKPDRFRNYWASD-JOCHJYFZSA-N 0 0 391.471 3.104 50 0 GGAARN c1ccc2c(c1)OC[C@H](c1nnc3sc(-c4ccc5c(c4)OCCO5)nn31)O2 ZINC000002432181 570286513 /nfs/dbraw/zinc/28/65/13/570286513.db2.gz YZKHRKCAKRNQEE-MRXNPFEDSA-N 0 0 394.412 3.137 50 0 GGAARN c1ccc2c(c1)OC[C@@H](c1nnc3sc(-c4ccc5c(c4)OCCO5)nn31)O2 ZINC000002432180 570286567 /nfs/dbraw/zinc/28/65/67/570286567.db2.gz YZKHRKCAKRNQEE-INIZCTEOSA-N 0 0 394.412 3.137 50 0 GGAARN O=C(CCc1ccccn1)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000020999360 570287117 /nfs/dbraw/zinc/28/71/17/570287117.db2.gz FKAGZIUYXIZKOF-MRXNPFEDSA-N 0 0 378.398 3.213 50 0 GGAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(Cl)ccc2OC)c1 ZINC000000668860 570287488 /nfs/dbraw/zinc/28/74/88/570287488.db2.gz UXALSZRHRBMJMD-UHFFFAOYSA-N 0 0 377.780 3.174 50 0 GGAARN COc1ccc(Cc2ncc3c(n2)CN(C(=O)c2cc(C(C)C)on2)C3)cc1 ZINC000215391227 570288270 /nfs/dbraw/zinc/28/82/70/570288270.db2.gz BOBPPWPLNYPHSX-UHFFFAOYSA-N 0 0 378.432 3.343 50 0 GGAARN O=C(COc1ccc(CN2CCO[C@H](c3ccccc3)C2)cc1)N1CCCC1 ZINC000215430433 570288840 /nfs/dbraw/zinc/28/88/40/570288840.db2.gz ZENBFYNLYRJDCQ-QFIPXVFZSA-N 0 0 380.488 3.261 50 0 GGAARN COc1ccc(-c2ccc(C(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)o2)cc1 ZINC000215451240 570289082 /nfs/dbraw/zinc/28/90/82/570289082.db2.gz BDUSLODLMACAQY-KRWDZBQOSA-N 0 0 382.460 3.430 50 0 GGAARN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CN1C(=O)c2ccccc2C1=O ZINC000002518316 570289757 /nfs/dbraw/zinc/28/97/57/570289757.db2.gz ZBCKKSQEEBLGDU-MRXNPFEDSA-N 0 0 380.444 3.419 50 0 GGAARN Cc1c2ccccc2[nH]c1CN(C)Cc1ccc(CN(C)S(C)(=O)=O)o1 ZINC000215546977 570289801 /nfs/dbraw/zinc/28/98/01/570289801.db2.gz DODPIFJZEIQSAC-UHFFFAOYSA-N 0 0 375.494 3.093 50 0 GGAARN CN(c1ncc(C(F)(F)F)cc1Cl)n1cc(C(N)=O)c2ccccc2c1=O ZINC000002558757 570290631 /nfs/dbraw/zinc/29/06/31/570290631.db2.gz IPPYTNWGGOIMDZ-UHFFFAOYSA-N 0 0 396.756 3.067 50 0 GGAARN CCOC(=O)COC(=O)c1cn(-c2ccc(OCC)cc2)c(=O)c2ccccc12 ZINC000021359985 570290763 /nfs/dbraw/zinc/29/07/63/570290763.db2.gz STYCFTYZPZXWSH-UHFFFAOYSA-N 0 0 395.411 3.109 50 0 GGAARN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC(c3cccc(O)c3)CC2)n(C)n1 ZINC000215772496 570291293 /nfs/dbraw/zinc/29/12/93/570291293.db2.gz DTQOJAKPGIHZHK-UHFFFAOYSA-N 0 0 393.491 3.163 50 0 GGAARN CCc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000012912442 570291421 /nfs/dbraw/zinc/29/14/21/570291421.db2.gz JXIJLEJVTAWQKX-UHFFFAOYSA-N 0 0 391.493 3.218 50 0 GGAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CCOCC1 ZINC000021487155 570291586 /nfs/dbraw/zinc/29/15/86/570291586.db2.gz XUSFWSVQUDIMLW-UHFFFAOYSA-N 0 0 392.452 3.002 50 0 GGAARN COC(=O)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)cc(C(=O)OC)c1 ZINC000002582281 570291582 /nfs/dbraw/zinc/29/15/82/570291582.db2.gz NQPOZNHZTMLTJO-UHFFFAOYSA-N 0 0 399.424 3.214 50 0 GGAARN COc1ccc(-c2nc3ccccn3c2C[NH+]2CCC(C(=O)[O-])CC2)cc1OC ZINC000002599732 570291887 /nfs/dbraw/zinc/29/18/87/570291887.db2.gz UHXYYVQJPRJVDT-UHFFFAOYSA-N 0 0 395.459 3.315 50 0 GGAARN NC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)cc1 ZINC000012916391 570292747 /nfs/dbraw/zinc/29/27/47/570292747.db2.gz SBQIYBCIUVGKBN-UHFFFAOYSA-N 0 0 389.390 3.153 50 0 GGAARN O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCC(c2nccn2Cc2cscn2)CC1 ZINC000102819785 570292852 /nfs/dbraw/zinc/29/28/52/570292852.db2.gz NCFKBXUPTQLVBO-BKPSIGNASA-N 0 0 382.533 3.386 50 0 GGAARN CCOc1ccc(NC(=O)CNC(=O)N2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000012296976 570293528 /nfs/dbraw/zinc/29/35/28/570293528.db2.gz BKDYNQPRZQZTAX-UHFFFAOYSA-N 0 0 392.459 3.273 50 0 biogenic GGAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc(N3CCCCC3)c2=O)cc1 ZINC000021657621 570293665 /nfs/dbraw/zinc/29/36/65/570293665.db2.gz UHGZXYXCMJBWEJ-UHFFFAOYSA-N 0 0 376.460 3.334 50 0 GGAARN COC(=O)c1ccccc1NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC ZINC000012296472 570293968 /nfs/dbraw/zinc/29/39/68/570293968.db2.gz VLTZPGACPVAGIS-UHFFFAOYSA-N 0 0 395.411 3.468 50 0 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Cc1nn(C)c(C)c1-c1cc(C(=O)NCc2c(F)cccc2Cl)n(C)n1 ZINC000216239790 570297702 /nfs/dbraw/zinc/29/77/02/570297702.db2.gz OMJLZHUSCKVULC-UHFFFAOYSA-N 0 0 375.835 3.160 50 0 GGAARN NC(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC000021873950 570298159 /nfs/dbraw/zinc/29/81/59/570298159.db2.gz NEMYOIAUOFTZKH-UHFFFAOYSA-N 0 0 377.419 3.378 50 0 GGAARN CCS(=O)(=O)Nc1ccc(-c2ccc(NS(=O)(=O)CC)c(C)c2)cc1C ZINC000002753259 570298480 /nfs/dbraw/zinc/29/84/80/570298480.db2.gz BMUZMPPNVYFERO-UHFFFAOYSA-N 0 0 396.534 3.494 50 0 GGAARN CN1CCN(NC(=O)c2cccc(COc3ccc(Cl)cc3Cl)c2)CC1 ZINC000002753361 570298516 /nfs/dbraw/zinc/29/85/16/570298516.db2.gz JLUJSTSXTRILCK-UHFFFAOYSA-N 0 0 394.302 3.465 50 0 GGAARN O=C(NCc1ccc2c(c1)OCO2)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000002780342 570301029 /nfs/dbraw/zinc/30/10/29/570301029.db2.gz WWSARIYQCIFHFI-UHFFFAOYSA-N 0 0 386.358 3.203 50 0 GGAARN O=C(Nc1ccccc1F)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000000712101 570302062 /nfs/dbraw/zinc/30/20/62/570302062.db2.gz 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CCOc1ccccc1N(CC(=O)N[C@H](C)CC)S(=O)(=O)c1ccccc1 ZINC000002936208 570318733 /nfs/dbraw/zinc/31/87/33/570318733.db2.gz HIBDIWVRCWYDHQ-MRXNPFEDSA-N 0 0 390.505 3.195 50 0 GGAARN O=C(CCCOCc1ccccc1)[C@H]1CN(C(=O)OCc2ccccc2)CCN1 ZINC000072233846 570319699 /nfs/dbraw/zinc/31/96/99/570319699.db2.gz LHQGCNVOHQBEQE-OAQYLSRUSA-N 0 0 396.487 3.163 50 0 GGAARN COc1ccc(CNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)cc1OC ZINC000022520648 570319771 /nfs/dbraw/zinc/31/97/71/570319771.db2.gz JEYMGZMVNWLCMJ-UHFFFAOYSA-N 0 0 382.464 3.347 50 0 GGAARN CCc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)OCc2ccccc2)[C@@H]3C1=O ZINC000015996616 570319969 /nfs/dbraw/zinc/31/99/69/570319969.db2.gz YRRZXGKUQSATMT-GECPAALWSA-N 0 0 389.451 3.279 50 0 GGAARN CC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002958767 570320296 /nfs/dbraw/zinc/32/02/96/570320296.db2.gz DKPWWBFBKKHLMF-SFHVURJKSA-N 0 0 388.533 3.143 50 0 GGAARN CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1cccc(C(F)(F)F)c1 ZINC000002981838 570322176 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CC[C@@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000002998476 570325138 /nfs/dbraw/zinc/32/51/38/570325138.db2.gz VIALMTWCMCYAHI-OAHLLOKOSA-N 0 0 394.924 3.446 50 0 GGAARN O=C(Cc1cccnc1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220701453 570325409 /nfs/dbraw/zinc/32/54/09/570325409.db2.gz SZENYFBRCSPKHE-MRXNPFEDSA-N 0 0 380.423 3.295 50 0 GGAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)o2)cc1 ZINC000001634425 570325548 /nfs/dbraw/zinc/32/55/48/570325548.db2.gz PTDRVHHAGXUUMZ-UHFFFAOYSA-N 0 0 398.444 3.434 50 0 GGAARN CCOC(=O)N1CCC(NC(=O)c2cc(OC)c3cc(F)cc(C)c3n2)CC1 ZINC000072329536 570326469 /nfs/dbraw/zinc/32/64/69/570326469.db2.gz JAKOBXRYJMLKMJ-UHFFFAOYSA-N 0 0 389.427 3.042 50 0 GGAARN O=C(c1cc(-c2cccnc2)nc2ccccc21)N1CCC2(CC1)OCCO2 ZINC000003044793 570326848 /nfs/dbraw/zinc/32/68/48/570326848.db2.gz RZTDDRIIRPEXOV-UHFFFAOYSA-N 0 0 375.428 3.276 50 0 GGAARN CCOC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2c(N)scc21 ZINC000026420928 570327213 /nfs/dbraw/zinc/32/72/13/570327213.db2.gz 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3.054 50 0 GGAARN CC(=O)Nc1ccc(NC[C@@H](O)COc2ccc3c(C)c(C)c(=O)oc3c2)cc1 ZINC000035686216 570417194 /nfs/dbraw/zinc/41/71/94/570417194.db2.gz JHQQUPMCGJFOGW-GOSISDBHSA-N 0 0 396.443 3.220 50 0 GGAARN Cc1cccn2c(CN(C)C[C@H]3CCCCO3)c(C(=O)N3CCCCC3)nc12 ZINC000013594253 570419956 /nfs/dbraw/zinc/41/99/56/570419956.db2.gz WSYSHBTVIAJHNR-GOSISDBHSA-N 0 0 384.524 3.270 50 0 GGAARN O=C(C[C@H](c1ccsc1)n1cccc1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524730731 570420948 /nfs/dbraw/zinc/42/09/48/570420948.db2.gz VCHZTHZWQCJQOH-IMFGXOCKSA-N 0 0 393.512 3.337 50 0 biogenic GGAARN COc1cccc(N2C(=O)C(Cl)=C(Nc3cc(OC)ccc3OC)C2=O)c1 ZINC000001767962 570422131 /nfs/dbraw/zinc/42/21/31/570422131.db2.gz HZBLDCJNOIPPKL-UHFFFAOYSA-N 0 0 388.807 3.148 50 0 GGAARN O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OCCO2 ZINC000001781073 570423374 /nfs/dbraw/zinc/42/33/74/570423374.db2.gz KBVPCHYJYHGYBY-UHFFFAOYSA-N 0 0 394.427 3.253 50 0 GGAARN O=C(COc1ccc(F)cc1)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000222785640 570425817 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C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)o1 ZINC000002720477 570508713 /nfs/dbraw/zinc/50/87/13/570508713.db2.gz JBTOJWCCVPOONO-LBPRGKRZSA-N 0 0 375.450 3.001 50 0 GGAARN O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)NC1CCCCC1 ZINC000002720487 570508759 /nfs/dbraw/zinc/50/87/59/570508759.db2.gz RZFZXTZURCZARZ-HNNXBMFYSA-N 0 0 375.450 3.123 50 0 GGAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(F)cc2)C[S@@](=O)C3)cc1 ZINC000002724984 570510768 /nfs/dbraw/zinc/51/07/68/570510768.db2.gz FAMDCWJJYORLRG-MHZLTWQESA-N 0 0 385.420 3.035 50 0 GGAARN Cc1cc(C(=O)N=c2[nH]c3ccc(S(C)(=O)=O)cc3s2)c2ccccc2n1 ZINC000002726302 570511167 /nfs/dbraw/zinc/51/11/67/570511167.db2.gz IHTDHBQMOKHCLH-UHFFFAOYSA-N 0 0 397.481 3.231 50 0 GGAARN Cc1ccc(C)n1-c1c(C)c(C)sc1C(=O)NCCc1cc(=O)[nH]c(C)n1 ZINC000032573334 570511268 /nfs/dbraw/zinc/51/12/68/570511268.db2.gz DTCMDYAMLCSTGB-UHFFFAOYSA-N 0 0 384.505 3.137 50 0 GGAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1c(F)cccc1F)C[S@@](=O)C2 ZINC000002725041 570511275 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CCn1cc(-c2ccnc3cc(C(=O)Nc4ccc(Cl)cn4)nn32)c(C)n1 ZINC000002798919 570516443 /nfs/dbraw/zinc/51/64/43/570516443.db2.gz XVIAHMYILSKNLV-UHFFFAOYSA-N 0 0 381.827 3.222 50 0 GGAARN O=C(CSc1nc2ccccc2c(=O)n1C1CC1)c1ccc2c(c1)OCCO2 ZINC000002802234 570516740 /nfs/dbraw/zinc/51/67/40/570516740.db2.gz JQSMSDHFIWKWEU-UHFFFAOYSA-N 0 0 394.452 3.478 50 0 GGAARN COc1ccc(OCn2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)n2)cc1 ZINC000002800476 570516805 /nfs/dbraw/zinc/51/68/05/570516805.db2.gz FBWDJQVPASXGFQ-UHFFFAOYSA-N 0 0 381.476 3.483 50 0 GGAARN COc1cc(OC)cc(C(=O)Nc2cnn(Cn3nc(C)c(Cl)c3C)c2)c1 ZINC000002800300 570516822 /nfs/dbraw/zinc/51/68/22/570516822.db2.gz DWSFUSKASCKIIC-UHFFFAOYSA-N 0 0 389.843 3.125 50 0 GGAARN O=C(Cn1nnc2ccccc21)Nc1cnn(Cc2c(F)cccc2Cl)c1 ZINC000002793893 570517956 /nfs/dbraw/zinc/51/79/56/570517956.db2.gz AYHXQPLRVNKBGJ-UHFFFAOYSA-N 0 0 384.802 3.107 50 0 GGAARN CCOC(=O)c1cc(C(=O)Nc2nc3ccc(OC(F)F)cc3s2)nn1C ZINC000002794068 570518089 /nfs/dbraw/zinc/51/80/89/570518089.db2.gz 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COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)C(=S)N32)c1 ZINC000000754345 570533875 /nfs/dbraw/zinc/53/38/75/570533875.db2.gz GFCLOMADHFZBIW-PKOBYXMFSA-N 0 0 377.469 3.250 50 0 GGAARN O=C(Nc1cc(C(=O)N2CCOCC2)ccc1N1CCCC1)c1cccs1 ZINC000001062363 570534163 /nfs/dbraw/zinc/53/41/63/570534163.db2.gz GBGXXBASQXZSOJ-UHFFFAOYSA-N 0 0 385.489 3.073 50 0 GGAARN Cn1c(SCC(=O)Nc2ccnc3ccccc32)nnc1-c1ccncc1 ZINC000001077554 570534197 /nfs/dbraw/zinc/53/41/97/570534197.db2.gz LCTDNAHTJFMUHU-UHFFFAOYSA-N 0 0 376.445 3.156 50 0 GGAARN O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000000953324 570534281 /nfs/dbraw/zinc/53/42/81/570534281.db2.gz SDVVHOSFFDBVCM-PXNSSMCTSA-N 0 0 390.549 3.269 50 0 GGAARN Cn1nnnc1SCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000008590844 570534936 /nfs/dbraw/zinc/53/49/36/570534936.db2.gz PZAROBHIXXAXDU-UHFFFAOYSA-N 0 0 389.912 3.324 50 0 GGAARN O=C(c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F)N1CCOCC1 ZINC000001213089 570535431 /nfs/dbraw/zinc/53/54/31/570535431.db2.gz 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O=C(NC[C@@H]1CCCO1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000004952999 570540611 /nfs/dbraw/zinc/54/06/11/570540611.db2.gz IIDPACVCSGOKGJ-VHRBIJSZSA-N 0 0 384.358 3.045 50 0 GGAARN CCOC(=O)c1ccc(C)c(NC(=O)c2nc3n(n2)[C@H](C(F)F)C[C@H](C)N3)c1 ZINC000004993504 570540632 /nfs/dbraw/zinc/54/06/32/570540632.db2.gz DURRWYFXFRHYCQ-GWCFXTLKSA-N 0 0 393.394 3.026 50 0 GGAARN COc1cccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2cccs2)c1 ZINC000022732380 570541097 /nfs/dbraw/zinc/54/10/97/570541097.db2.gz FIJNWJDASAINFW-OAHLLOKOSA-N 0 0 394.518 3.329 50 0 GGAARN COc1ccccc1-c1cc(NC(=O)[C@@H]2COCCO2)n(-c2ccc(C)cc2)n1 ZINC000192506504 570542114 /nfs/dbraw/zinc/54/21/14/570542114.db2.gz MOBWZCKQQJLTPI-FQEVSTJZSA-N 0 0 393.443 3.210 50 0 GGAARN COCCNC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002333423 570543346 /nfs/dbraw/zinc/54/33/46/570543346.db2.gz SMASQITZTPNMEJ-UHFFFAOYSA-N 0 0 395.850 3.186 50 0 GGAARN COC(=O)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C)O ZINC000034781448 570543997 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CCOC(=O)N1CCC(NC(=O)c2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000072328879 570674955 /nfs/dbraw/zinc/67/49/55/570674955.db2.gz VNZMJHKAKCPZJN-UHFFFAOYSA-N 0 0 376.844 3.081 50 0 GGAARN Cc1nc([C@H]2CCOC2)sc1C(=O)NCc1ccc(-c2ccnn2C)cc1 ZINC000685941324 570674988 /nfs/dbraw/zinc/67/49/88/570674988.db2.gz KXBCMCJQOBENML-INIZCTEOSA-N 0 0 382.489 3.286 50 0 GGAARN COc1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000053771431 570675395 /nfs/dbraw/zinc/67/53/95/570675395.db2.gz KWZGFVMLSABOGX-UHFFFAOYSA-N 0 0 389.883 3.118 50 0 GGAARN CCCCNC(=O)Cc1noc(C2=Cc3ccccc3O[C@@H]2C(F)(F)F)n1 ZINC000685943607 570675416 /nfs/dbraw/zinc/67/54/16/570675416.db2.gz ZWLLUZLOWBMHAJ-INIZCTEOSA-N 0 0 381.354 3.392 50 0 GGAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)c1nccc2ccccc21 ZINC000072330291 570675859 /nfs/dbraw/zinc/67/58/59/570675859.db2.gz RBMTYMRIQMUFDA-UHFFFAOYSA-N 0 0 378.384 3.207 50 0 GGAARN CC(C)(C)n1ncc2c1ncn(CCC(=O)Nc1ccc(F)c(Cl)c1)c2=O ZINC000012440139 570676343 /nfs/dbraw/zinc/67/63/43/570676343.db2.gz 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/nfs/dbraw/zinc/67/78/97/570677897.db2.gz UXYBWEXQLIODIX-RGEXLXHISA-N 0 0 376.412 3.376 50 0 GGAARN O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1ccccc1Cl ZINC000012443182 570677928 /nfs/dbraw/zinc/67/79/28/570677928.db2.gz PBFHNYOZYCOWBP-UHFFFAOYSA-N 0 0 393.834 3.254 50 0 GGAARN COc1ccc(-c2c(C)c3ccc(OS(C)(=O)=O)cc3oc2=O)cc1OC ZINC000004340286 570678174 /nfs/dbraw/zinc/67/81/74/570678174.db2.gz XDRDTXAAJRTEBA-UHFFFAOYSA-N 0 0 390.413 3.124 50 0 biogenic GGAARN Cc1ccc(-n2ccnc2N2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000012444675 570678848 /nfs/dbraw/zinc/67/88/48/570678848.db2.gz PMWGNAGTBZFODB-UHFFFAOYSA-N 0 0 382.414 3.421 50 0 GGAARN Cc1ccc2c(=O)cc(C(=O)NCCc3nc(-c4ccccc4)no3)oc2c1C ZINC000032593733 570679464 /nfs/dbraw/zinc/67/94/64/570679464.db2.gz LXFYKHBBGVTHFA-UHFFFAOYSA-N 0 0 389.411 3.432 50 0 GGAARN Cc1cc2oc(C(=O)NCCc3nc(-c4ccccc4)no3)cc(=O)c2cc1C ZINC000032593735 570679532 /nfs/dbraw/zinc/67/95/32/570679532.db2.gz OTJWCWZUMLOSLF-UHFFFAOYSA-N 0 0 389.411 3.432 50 0 GGAARN COc1cccc(N2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000055060302 570680654 /nfs/dbraw/zinc/68/06/54/570680654.db2.gz LMWLBDBUMMRHCC-UHFFFAOYSA-N 0 0 377.847 3.248 50 0 GGAARN O=C(CCCN1CCCC1=O)N1CCO[C@H](Cc2cccc3ccccc32)C1 ZINC000012571749 570681519 /nfs/dbraw/zinc/68/15/19/570681519.db2.gz YFLLWGHFPRDKDW-HXUWFJFHSA-N 0 0 380.488 3.012 50 0 GGAARN C[C@@H](CCc1ccco1)NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O ZINC000008765223 570681856 /nfs/dbraw/zinc/68/18/56/570681856.db2.gz UBWKFCZJSUOTAD-ZDUSSCGKSA-N 0 0 387.432 3.245 50 0 biogenic GGAARN CSCCC(=O)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 ZINC000012575761 570682555 /nfs/dbraw/zinc/68/25/55/570682555.db2.gz JGPLQWGEYSSGJD-UHFFFAOYSA-N 0 0 390.484 3.191 50 0 GGAARN O=S(=O)(Cc1ccccc1)N1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000012577885 570683040 /nfs/dbraw/zinc/68/30/40/570683040.db2.gz GKBMZMIZYYTYQC-UHFFFAOYSA-N 0 0 393.936 3.487 50 0 GGAARN CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2ccon2)CC1)c1ccccc1 ZINC000012580070 570683325 /nfs/dbraw/zinc/68/33/25/570683325.db2.gz BADPPXBLMZONAJ-HXUWFJFHSA-N 0 0 395.463 3.034 50 0 GGAARN COC(=O)c1cccc(C(=O)N2CCc3onc(-c4ccccc4F)c3C2)c1 ZINC000012578674 570683565 /nfs/dbraw/zinc/68/35/65/570683565.db2.gz DRMNBYTWHIYAEW-UHFFFAOYSA-N 0 0 380.375 3.466 50 0 GGAARN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cccc(C)c3)C2)CC1 ZINC000055109243 570683560 /nfs/dbraw/zinc/68/35/60/570683560.db2.gz GTWLXPLEKNCROH-OAQYLSRUSA-N 0 0 393.531 3.430 50 0 GGAARN COc1ccc(CCS(=O)(=O)NC[C@H](c2ccsc2)N2CCCC2)cc1 ZINC000008900320 570683653 /nfs/dbraw/zinc/68/36/53/570683653.db2.gz ZCXKOJCSBPCFDL-LJQANCHMSA-N 0 0 394.562 3.056 50 0 GGAARN COc1ccc(CCS(=O)(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc1 ZINC000008900316 570683714 /nfs/dbraw/zinc/68/37/14/570683714.db2.gz ZCXKOJCSBPCFDL-IBGZPJMESA-N 0 0 394.562 3.056 50 0 GGAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)c2cccnc2)CC1 ZINC000012580248 570683959 /nfs/dbraw/zinc/68/39/59/570683959.db2.gz ZNNDWMTYUCAHMN-UHFFFAOYSA-N 0 0 382.460 3.118 50 0 GGAARN Cc1ncsc1CCC(=O)N1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012582212 570684630 /nfs/dbraw/zinc/68/46/30/570684630.db2.gz RLSQNRPHVWLYSY-HNNXBMFYSA-N 0 0 386.473 3.234 50 0 GGAARN CC(C)c1noc(-c2cccn3c(CNC(=O)c4c(F)cccc4F)nnc23)n1 ZINC000169775922 570684747 /nfs/dbraw/zinc/68/47/47/570684747.db2.gz RAKXVNRXEBMWCL-UHFFFAOYSA-N 0 0 398.373 3.111 50 0 GGAARN CC(C)n1cc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cn1 ZINC000055154990 570684991 /nfs/dbraw/zinc/68/49/91/570684991.db2.gz UTMFQQSJYUPDMV-NRFANRHFSA-N 0 0 399.514 3.030 50 0 GGAARN O=C(CCC1CCCC1)NCc1nnc2c(-c3nc(C4CC4)no3)cccn12 ZINC000169776094 570685241 /nfs/dbraw/zinc/68/52/41/570685241.db2.gz NPPDTTWHBSLJIR-UHFFFAOYSA-N 0 0 380.452 3.243 50 0 GGAARN CO[C@@H](c1nnc(CCC(=O)NCCCc2ccccc2)o1)c1ccccc1 ZINC000012586242 570685381 /nfs/dbraw/zinc/68/53/81/570685381.db2.gz ZUVPRKBAIKCJGC-OAQYLSRUSA-N 0 0 379.460 3.487 50 0 GGAARN CC(=O)c1ccc(OCc2cc(C(=O)N(C)C[C@H](O)c3ccccc3)no2)cc1 ZINC000012586292 570685571 /nfs/dbraw/zinc/68/55/71/570685571.db2.gz KMXXNIOLCPBKQL-NRFANRHFSA-N 0 0 394.427 3.262 50 0 GGAARN NC(=O)CCC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000012588983 570686020 /nfs/dbraw/zinc/68/60/20/570686020.db2.gz QNJIMVOUEOAXKW-QGZVFWFLSA-N 0 0 382.435 3.180 50 0 GGAARN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000012588734 570686119 /nfs/dbraw/zinc/68/61/19/570686119.db2.gz VVFPRJFAWBOBQH-KRWDZBQOSA-N 0 0 377.492 3.211 50 0 GGAARN CCc1ccccc1NC(=O)Cn1c(C)cc2nc3n(c(=O)c21)CCCCC3 ZINC000169777268 570686419 /nfs/dbraw/zinc/68/64/19/570686419.db2.gz GEONZVKVAPBIPR-UHFFFAOYSA-N 0 0 378.476 3.434 50 0 GGAARN Cc1noc(-c2cccn3c(CNC(=O)/C=C/c4ccc(Cl)cc4)nnc23)n1 ZINC000169776355 570686442 /nfs/dbraw/zinc/68/64/42/570686442.db2.gz UVKMWWUZMAOVKP-RMKNXTFCSA-N 0 0 394.822 3.071 50 0 GGAARN Cc1cccc(C(=O)N2CCC[C@@H](n3cc(-c4nc(C(C)C)no4)nn3)C2)c1 ZINC000169777716 570687004 /nfs/dbraw/zinc/68/70/04/570687004.db2.gz NDYFYGFSEBVSPX-MRXNPFEDSA-N 0 0 380.452 3.237 50 0 GGAARN Cc1nc(C)c(C(=O)N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)s1 ZINC000055211898 570687251 /nfs/dbraw/zinc/68/72/51/570687251.db2.gz ILANRIVIYMJTIO-IBGZPJMESA-N 0 0 398.576 3.495 50 0 GGAARN CC(C)c1noc(-c2cn([C@H]3CCN(C(=O)c4cccc5[nH]ccc54)C3)nn2)n1 ZINC000169778177 570687322 /nfs/dbraw/zinc/68/73/22/570687322.db2.gz SGUZEXXKALPFIJ-ZDUSSCGKSA-N 0 0 391.435 3.020 50 0 GGAARN Cc1nc(C)c(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)s1 ZINC000055211897 570687556 /nfs/dbraw/zinc/68/75/56/570687556.db2.gz ILANRIVIYMJTIO-LJQANCHMSA-N 0 0 398.576 3.495 50 0 GGAARN COc1ccc(C(=O)N2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c(OC)n1 ZINC000012592569 570687646 /nfs/dbraw/zinc/68/76/46/570687646.db2.gz YSIDWUGMHCBOQO-ZDUSSCGKSA-N 0 0 377.391 3.094 50 0 GGAARN Cc1ccccc1Cn1cc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)nn1 ZINC000012592123 570687650 /nfs/dbraw/zinc/68/76/50/570687650.db2.gz DQWZOMNAIMQPKR-UHFFFAOYSA-N 0 0 388.471 3.370 50 0 GGAARN O=C(Cc1ccccc1Cl)NCc1nnc2ccc(-c3ccccc3)nn21 ZINC000169778309 570687670 /nfs/dbraw/zinc/68/76/70/570687670.db2.gz CRHWSJMNNSEWAN-UHFFFAOYSA-N 0 0 377.835 3.304 50 0 GGAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1cccc(C(F)(F)F)c1)CCC3 ZINC000169778276 570687674 /nfs/dbraw/zinc/68/76/74/570687674.db2.gz LQCJVRGHQLHWIR-UHFFFAOYSA-N 0 0 390.365 3.110 50 0 GGAARN COc1cccc(CCC(=O)NCc2nnc3ccc(-c4ccccc4)nn32)c1 ZINC000169778313 570687676 /nfs/dbraw/zinc/68/76/76/570687676.db2.gz BBQDJYCMTRAUKX-UHFFFAOYSA-N 0 0 387.443 3.049 50 0 GGAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1ccc(C)c(Cl)c1)CCCC3 ZINC000169778262 570687772 /nfs/dbraw/zinc/68/77/72/570687772.db2.gz JUWDRALFYYPFME-UHFFFAOYSA-N 0 0 384.867 3.443 50 0 GGAARN O=C(Cc1c(F)cccc1Cl)N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000012593757 570688149 /nfs/dbraw/zinc/68/81/49/570688149.db2.gz PMQJPJZGRBPULN-CQSZACIVSA-N 0 0 378.806 3.078 50 0 GGAARN CCN1CCN(c2c(Cl)cccc2NC(=O)[C@@H]2CC(C(C)C)=NO2)CC1 ZINC000055242467 570688175 /nfs/dbraw/zinc/68/81/75/570688175.db2.gz PUTVJFLEXCHTNU-KRWDZBQOSA-N 0 0 378.904 3.221 50 0 GGAARN CC(=O)NCCC1CCN(Cc2nc(Cc3ccccc3Cl)no2)CC1 ZINC000012594918 570688604 /nfs/dbraw/zinc/68/86/04/570688604.db2.gz LCBXKWPGMCKCOS-UHFFFAOYSA-N 0 0 376.888 3.052 50 0 GGAARN CCc1noc(-c2cn(C3CCN(C(=O)c4ccc(Cl)cc4)CC3)nn2)n1 ZINC000169777349 570689032 /nfs/dbraw/zinc/68/90/32/570689032.db2.gz CYWSQZGVYPQBOF-UHFFFAOYSA-N 0 0 386.843 3.021 50 0 GGAARN COc1cccc(CN2C[C@H](C(=O)NC3(c4ccccc4)CC3)CCC2=O)c1 ZINC000012596375 570689005 /nfs/dbraw/zinc/68/90/05/570689005.db2.gz SGFPGWPAYJQUNQ-GOSISDBHSA-N 0 0 378.472 3.239 50 0 GGAARN COc1ccc(F)c(CN2CCC[C@@]3(CCN(c4nc(C)cc(C)n4)C3)C2=O)c1 ZINC000012595754 570689020 /nfs/dbraw/zinc/68/90/20/570689020.db2.gz CJHUPDFQVDOEKZ-QFIPXVFZSA-N 0 0 398.482 3.260 50 0 GGAARN Cc1ccccc1CC(=O)N1CCC(n2cc(-c3nc(C(C)C)no3)nn2)CC1 ZINC000169777483 570689210 /nfs/dbraw/zinc/68/92/10/570689210.db2.gz KERXEOYYKJLQAM-UHFFFAOYSA-N 0 0 394.479 3.166 50 0 GGAARN O=C(CCn1cncn1)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000012595792 570689344 /nfs/dbraw/zinc/68/93/44/570689344.db2.gz WFQWEVGAFNPFRA-OAQYLSRUSA-N 0 0 390.487 3.118 50 0 GGAARN Cc1ccc(C(=O)NCc2nnc3c(-c4nc(C(C)C)no4)cccn23)cc1C ZINC000169780166 570689437 /nfs/dbraw/zinc/68/94/37/570689437.db2.gz UOOUDTIIUYTREE-UHFFFAOYSA-N 0 0 390.447 3.450 50 0 GGAARN COc1ccc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCN2C3=O)cc1F ZINC000169780757 570689981 /nfs/dbraw/zinc/68/99/81/570689981.db2.gz FRXHKWUNIVLCQH-LJQANCHMSA-N 0 0 383.423 3.489 50 0 GGAARN Cc1cccc(C(=O)NCc2nnc3c(-c4nc(C(C)C)no4)cccn23)c1 ZINC000169781025 570690434 /nfs/dbraw/zinc/69/04/34/570690434.db2.gz YPFAWZYIFFGWKC-UHFFFAOYSA-N 0 0 376.420 3.141 50 0 GGAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1ccc(F)c(Cl)c1)CCCC3 ZINC000169779297 570690455 /nfs/dbraw/zinc/69/04/55/570690455.db2.gz DPPCWFVBEYGDFC-UHFFFAOYSA-N 0 0 388.830 3.274 50 0 GGAARN Cc1cccc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)c1 ZINC000169779293 570690496 /nfs/dbraw/zinc/69/04/96/570690496.db2.gz IFVLGSXSSWOEQW-UHFFFAOYSA-N 0 0 394.450 3.087 50 0 GGAARN Cc1ccc(CNC(=O)Cn2c(=O)cc(C)nc2-c2ccc(Cl)cc2)cc1 ZINC000169779517 570690811 /nfs/dbraw/zinc/69/08/11/570690811.db2.gz MSHSRBLOBWLLMP-UHFFFAOYSA-N 0 0 381.863 3.497 50 0 GGAARN Cc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1F ZINC000206679862 570691093 /nfs/dbraw/zinc/69/10/93/570691093.db2.gz GZCXGMRZRFRPFQ-UHFFFAOYSA-N 0 0 386.404 3.275 50 0 GGAARN Cc1ccc(-c2ccc(=O)n(CCCNC(=O)c3ccc(F)cc3F)n2)cc1 ZINC000013796496 570691112 /nfs/dbraw/zinc/69/11/12/570691112.db2.gz FFEPYQHMDKGIDU-UHFFFAOYSA-N 0 0 383.398 3.317 50 0 GGAARN CCOCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000004354042 570691585 /nfs/dbraw/zinc/69/15/85/570691585.db2.gz ZLFJNJCZLYPLEZ-UHFFFAOYSA-N 0 0 382.372 3.389 50 0 GGAARN COc1ccc(C(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)cc1Cl ZINC000012651709 570695494 /nfs/dbraw/zinc/69/54/94/570695494.db2.gz BLOPPFPSADJMPB-UHFFFAOYSA-N 0 0 399.863 3.445 50 0 GGAARN CCc1ccc(OCC(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)cc1 ZINC000012651748 570695585 /nfs/dbraw/zinc/69/55/85/570695585.db2.gz MQESZKJZHRPJGI-UHFFFAOYSA-N 0 0 393.472 3.110 50 0 GGAARN CCN(Cc1nc(-c2ccc(OC)cc2)no1)S(=O)(=O)c1ccc(C)cc1 ZINC000012653792 570695888 /nfs/dbraw/zinc/69/58/88/570695888.db2.gz 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CCC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000012707476 570700990 /nfs/dbraw/zinc/70/09/90/570700990.db2.gz HQIORZLNVBENKX-OAHLLOKOSA-N 0 0 394.475 3.292 50 0 GGAARN O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000012707656 570701126 /nfs/dbraw/zinc/70/11/26/570701126.db2.gz RCHVYVZTGBBZQX-MRXNPFEDSA-N 0 0 378.350 3.255 50 0 GGAARN O=C(NCc1cc(-c2ccc(F)cc2F)on1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000017190178 570701453 /nfs/dbraw/zinc/70/14/53/570701453.db2.gz CVEHCQDBIMOQEJ-ZDUSSCGKSA-N 0 0 397.381 3.289 50 0 GGAARN O=C(Cn1c(CO)cnc1SCc1ccc(F)cc1)NCc1ccccc1 ZINC000017179222 570701593 /nfs/dbraw/zinc/70/15/93/570701593.db2.gz UIZXYWFHRYMYHY-UHFFFAOYSA-N 0 0 385.464 3.123 50 0 GGAARN CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(OC)c(C)c3)ccc21 ZINC000017248146 570702089 /nfs/dbraw/zinc/70/20/89/570702089.db2.gz GTYZFIYCXALREH-UHFFFAOYSA-N 0 0 388.489 3.494 50 0 GGAARN COc1ccccc1CN1C[C@@H](C(=O)NCc2cccc(Cl)c2)CCC1=O ZINC000012709936 570702319 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O=C(CSc1nc2ccccc2c(NC[C@H]2CCCO2)n1)NCc1ccco1 ZINC000006918926 570703992 /nfs/dbraw/zinc/70/39/92/570703992.db2.gz SSEDEGGPQNIFQL-OAHLLOKOSA-N 0 0 398.488 3.222 50 0 GGAARN COc1cccc(CN2C[C@@H](C(=O)N(C)CCc3ccccc3)CCC2=O)c1 ZINC000012714958 570704315 /nfs/dbraw/zinc/70/43/15/570704315.db2.gz NNMASEQAYUSUDW-FQEVSTJZSA-N 0 0 380.488 3.135 50 0 GGAARN CCCCNC(=O)N1CCC[C@@](Cc2cccc(OC)c2)(C(=O)OCC)C1 ZINC000012715939 570704410 /nfs/dbraw/zinc/70/44/10/570704410.db2.gz IAHJKIQRRLWSNO-NRFANRHFSA-N 0 0 376.497 3.393 50 0 GGAARN CSCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000012716521 570704779 /nfs/dbraw/zinc/70/47/79/570704779.db2.gz ZOOJWBRZZTXJAF-LJQANCHMSA-N 0 0 382.476 3.059 50 0 GGAARN CCCNC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)cc1Cl ZINC000158336059 570704893 /nfs/dbraw/zinc/70/48/93/570704893.db2.gz JODNWPWIKMLEIV-NSHDSACASA-N 0 0 377.876 3.264 50 0 GGAARN COc1ccc(OCc2nc(C(=O)N[C@H](C)c3c(C)nn(C)c3C)co2)cc1 ZINC000012717995 570705265 /nfs/dbraw/zinc/70/52/65/570705265.db2.gz 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3.210 50 0 GGAARN COc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](n2c(C)nc3ccccc32)C1 ZINC000585149217 570712251 /nfs/dbraw/zinc/71/22/51/570712251.db2.gz JENSZJSROUSROI-OAHLLOKOSA-N 0 0 389.452 3.128 50 0 GGAARN Cc1cc(C)c(NC(=O)CN2c3ccccc3N(C3CC3)S2(=O)=O)c(C)c1 ZINC000585147788 570712298 /nfs/dbraw/zinc/71/22/98/570712298.db2.gz IIUSNHAUBWXFJD-UHFFFAOYSA-N 0 0 385.489 3.284 50 0 GGAARN Cc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCc3ccccc3)[C@H]4C2=O)c1 ZINC000001134473 570712335 /nfs/dbraw/zinc/71/23/35/570712335.db2.gz XSVSBZRMUYPSPI-QTDGGUCWSA-N 0 0 375.424 3.025 50 0 biogenic GGAARN O=C(NCCc1c[nH]c2ccccc12)C1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000585149962 570712668 /nfs/dbraw/zinc/71/26/68/570712668.db2.gz PZQPJOBNLYWYOX-UHFFFAOYSA-N 0 0 389.503 3.411 50 0 GGAARN COCc1cn([C@@H]2CCN(C(=O)C3c4ccccc4Oc4ccccc43)C2)nn1 ZINC000585149709 570712692 /nfs/dbraw/zinc/71/26/92/570712692.db2.gz RTIJTBMWADTBAG-MRXNPFEDSA-N 0 0 390.443 3.136 50 0 GGAARN COc1ccc(CCNC(=O)NCc2ccc([C@H](O)c3ccco3)s2)cc1 ZINC000206688879 570717632 /nfs/dbraw/zinc/71/76/32/570717632.db2.gz XXCBUVPPTXFNNQ-LJQANCHMSA-N 0 0 386.473 3.473 50 0 GGAARN COc1cccc(N2C[C@@H](NC(=O)N[C@@H](C)CCc3ccccc3)CC2=O)c1 ZINC000004373369 570719381 /nfs/dbraw/zinc/71/93/81/570719381.db2.gz CVNMYSXCLPOWIA-WMZOPIPTSA-N 0 0 381.476 3.121 50 0 GGAARN COc1cccc(N2C[C@H](NC(=O)N[C@H](C)CCc3ccccc3)CC2=O)c1 ZINC000004373367 570719470 /nfs/dbraw/zinc/71/94/70/570719470.db2.gz CVNMYSXCLPOWIA-SJLPKXTDSA-N 0 0 381.476 3.121 50 0 GGAARN COc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(OC)c1 ZINC000004374353 570720246 /nfs/dbraw/zinc/72/02/46/570720246.db2.gz YSILROZYJQLKKQ-ZDUSSCGKSA-N 0 0 389.839 3.284 50 0 GGAARN CC(=O)Nc1cccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 ZINC000004374376 570720427 /nfs/dbraw/zinc/72/04/27/570720427.db2.gz CBVAYFRCSMYOGC-INIZCTEOSA-N 0 0 386.839 3.225 50 0 GGAARN O=C(COc1ccccc1)NCCc1csc2nc(-c3ccc(F)cc3)nn12 ZINC000004374789 570720771 /nfs/dbraw/zinc/72/07/71/570720771.db2.gz ZWSWOKDENABHOY-UHFFFAOYSA-N 0 0 396.447 3.335 50 0 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ZINC000012866205 570725677 /nfs/dbraw/zinc/72/56/77/570725677.db2.gz KFNTZERWKQDIGV-UHFFFAOYSA-N 0 0 382.445 3.498 50 0 GGAARN O=C(c1ccco1)N1CCN(C(=O)c2cccc3c2-c2ccccc2C3=O)CC1 ZINC000000924086 570726062 /nfs/dbraw/zinc/72/60/62/570726062.db2.gz PHNVPXGEIXCTCT-UHFFFAOYSA-N 0 0 386.407 3.089 50 0 GGAARN COC(=O)[C@@H](CC(=O)c1ccc(OC)cc1)c1cc(=O)oc2cc(OC)ccc21 ZINC000012898833 570726631 /nfs/dbraw/zinc/72/66/31/570726631.db2.gz VXEIWQOCQTZDJP-SFHVURJKSA-N 0 0 396.395 3.340 50 0 biogenic GGAARN CC[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)Nc1nnc(C)s1 ZINC000004993598 570730507 /nfs/dbraw/zinc/73/05/07/570730507.db2.gz IQZQZPWDTWJVCG-GFCCVEGCSA-N 0 0 392.485 3.291 50 0 GGAARN COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(Cl)cc1 ZINC000000940572 570731672 /nfs/dbraw/zinc/73/16/72/570731672.db2.gz VJZHBSMEEGVFQG-KRWDZBQOSA-N 0 0 396.838 3.263 50 0 GGAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000012971170 570733041 /nfs/dbraw/zinc/73/30/41/570733041.db2.gz CVCFJUHBGJCSBU-VAMGGRTRSA-N 0 0 389.386 3.272 50 0 GGAARN Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)NC(C)(C)C)cc1 ZINC000000949143 570735637 /nfs/dbraw/zinc/73/56/37/570735637.db2.gz DYAMUJMCNQLCPJ-LJQANCHMSA-N 0 0 386.517 3.025 50 0 GGAARN CCOC(=O)c1ccc(N2C(=O)C(Cl)=C(N(C)C3CCCCC3)C2=O)cc1 ZINC000000956189 570737979 /nfs/dbraw/zinc/73/79/79/570737979.db2.gz CFPNVOVKXYHCII-UHFFFAOYSA-N 0 0 390.867 3.451 50 0 GGAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000000956979 570738372 /nfs/dbraw/zinc/73/83/72/570738372.db2.gz ZCXXKESFIHBDDE-HXUWFJFHSA-N 0 0 396.443 3.384 50 0 GGAARN Cc1ccc(C)c(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 ZINC000000958485 570739149 /nfs/dbraw/zinc/73/91/49/570739149.db2.gz VQMSOYAOTJVHON-LBPRGKRZSA-N 0 0 382.489 3.233 50 0 GGAARN Cc1cccc(C)c1NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000000958821 570739228 /nfs/dbraw/zinc/73/92/28/570739228.db2.gz WXOXXURORPNUQB-NSHDSACASA-N 0 0 382.489 3.233 50 0 GGAARN Cc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)cc1Cl ZINC000000958521 570739232 /nfs/dbraw/zinc/73/92/32/570739232.db2.gz YLCJELNQJGCRSV-UHFFFAOYSA-N 0 0 388.880 3.332 50 0 GGAARN Cc1cc(F)ccc1S(=O)(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 ZINC000585148005 570742016 /nfs/dbraw/zinc/74/20/16/570742016.db2.gz LYDUAHLUZUECFU-KRWDZBQOSA-N 0 0 375.421 3.406 50 0 GGAARN COc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)c(C)c1 ZINC000585147832 570742047 /nfs/dbraw/zinc/74/20/47/570742047.db2.gz AVZNNJWJBPXMMA-GOSISDBHSA-N 0 0 387.457 3.276 50 0 GGAARN Cc1ccc(CN2C(=O)N[C@@]3(CCCN(C(=O)c4cccc(C)c4)C3)C2=O)cc1 ZINC000097943874 570745201 /nfs/dbraw/zinc/74/52/01/570745201.db2.gz JXOJQGPIRKVFJG-HSZRJFAPSA-N 0 0 391.471 3.030 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4cc(C)ccc4F)c3CO2)cc1 ZINC000097943925 570745433 /nfs/dbraw/zinc/74/54/33/570745433.db2.gz OEPBKOXNXIKVGX-GOSISDBHSA-N 0 0 382.395 3.258 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4cc(C)ccc4F)c3CO2)cc1 ZINC000097943926 570745524 /nfs/dbraw/zinc/74/55/24/570745524.db2.gz OEPBKOXNXIKVGX-SFHVURJKSA-N 0 0 382.395 3.258 50 0 GGAARN CCN1c2cc(C(=O)NCc3ccc(OC)cc3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097944070 570745637 /nfs/dbraw/zinc/74/56/37/570745637.db2.gz PEMLUBCAYOTDIU-OAQYLSRUSA-N 0 0 393.487 3.417 50 0 GGAARN COc1ccc(CCNC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)cc1OC ZINC000013121738 570747328 /nfs/dbraw/zinc/74/73/28/570747328.db2.gz GJHJLQWISSSMOS-UHFFFAOYSA-N 0 0 395.459 3.389 50 0 GGAARN COc1ccc(CCNC(=O)c2cc(-c3cc(C)ccc3O)n[nH]2)cc1OC ZINC000013121827 570747417 /nfs/dbraw/zinc/74/74/17/570747417.db2.gz WYVVTERDMSPFBI-UHFFFAOYSA-N 0 0 381.432 3.080 50 0 GGAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(C)=O)nn32)cc1 ZINC000013127655 570747925 /nfs/dbraw/zinc/74/79/25/570747925.db2.gz SCCOYUYDKOOHDH-GOSISDBHSA-N 0 0 395.850 3.113 50 0 GGAARN COCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccc(OC)cc1)N2 ZINC000013127408 570747960 /nfs/dbraw/zinc/74/79/60/570747960.db2.gz XZCRHOQWFQOMQV-QZTJIDSGSA-N 0 0 393.447 3.018 50 0 GGAARN COCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccc(OC)cc1)N2 ZINC000013127409 570747963 /nfs/dbraw/zinc/74/79/63/570747963.db2.gz XZCRHOQWFQOMQV-ZWKOTPCHSA-N 0 0 393.447 3.018 50 0 GGAARN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2C)cc1 ZINC000001057039 570748280 /nfs/dbraw/zinc/74/82/80/570748280.db2.gz JIDGHLUPDQUIKL-UHFFFAOYSA-N 0 0 398.484 3.408 50 0 GGAARN O=C1CS[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(OC(F)(F)F)cc1 ZINC000001071974 570749098 /nfs/dbraw/zinc/74/90/98/570749098.db2.gz OTPOOHLQDJFTFR-INIZCTEOSA-N 0 0 380.347 3.470 50 0 GGAARN O=C(Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)c1ccccc1 ZINC000001059958 570749422 /nfs/dbraw/zinc/74/94/22/570749422.db2.gz DLKYQRHBHSAEFA-UHFFFAOYSA-N 0 0 378.409 3.467 50 0 GGAARN Cc1nc2ccccn2c1C(=O)NC[C@@H]1CCCN1c1nc2ccccc2o1 ZINC000206771633 570750088 /nfs/dbraw/zinc/75/00/88/570750088.db2.gz RPXAUFUTJZBBGT-HNNXBMFYSA-N 0 0 375.432 3.183 50 0 GGAARN CCOc1ccc([C@H]2C(C(=O)NC)=C(C)Nc3nc4ccccc4n32)cc1OC ZINC000001080494 570751062 /nfs/dbraw/zinc/75/10/62/570751062.db2.gz FFIRDBLECIZUBJ-FQEVSTJZSA-N 0 0 392.459 3.479 50 0 GGAARN Cc1ccc(-c2nn(CC(=O)NCc3ccccn3)c(=O)c3ccccc32)cc1 ZINC000001087904 570751714 /nfs/dbraw/zinc/75/17/14/570751714.db2.gz INVMREAKOGSISC-UHFFFAOYSA-N 0 0 384.439 3.083 50 0 GGAARN Cc1cccc(C(=O)N2N=C(c3ccc(F)cc3)C[C@]2(O)C(F)(F)F)c1O ZINC000001092536 570752567 /nfs/dbraw/zinc/75/25/67/570752567.db2.gz UNTOESWUZLHDBQ-KRWDZBQOSA-N 0 0 382.313 3.341 50 0 GGAARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc2ccccc2o1 ZINC000206795253 570753013 /nfs/dbraw/zinc/75/30/13/570753013.db2.gz YYNXGGMNUXISRY-ZBFHGGJFSA-N 0 0 383.375 3.407 50 0 GGAARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc2nsnc21 ZINC000013325119 570753208 /nfs/dbraw/zinc/75/32/08/570753208.db2.gz JTTOLTWLSKKOEF-UHFFFAOYSA-N 0 0 387.896 3.105 50 0 GGAARN CCCn1ncc2c1nc(C)cc2C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000036616666 570753242 /nfs/dbraw/zinc/75/32/42/570753242.db2.gz MSYSCFSDOLSQFY-UHFFFAOYSA-N 0 0 377.492 3.108 50 0 GGAARN COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CSC1CCCC1 ZINC000206801317 570753436 /nfs/dbraw/zinc/75/34/36/570753436.db2.gz RHEBFORGWAYSEF-XJKSGUPXSA-N 0 0 381.469 3.023 50 0 GGAARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cc1c[nH]c2ccccc12 ZINC000206802319 570753498 /nfs/dbraw/zinc/75/34/98/570753498.db2.gz BDNGXZFDPYOICT-BEFAXECRSA-N 0 0 396.418 3.071 50 0 GGAARN O=C(Cn1c(=O)oc2ccccc21)Nc1sccc1-c1nc(C2CC2)no1 ZINC000206891090 570755139 /nfs/dbraw/zinc/75/51/39/570755139.db2.gz YPRIQUBDZDHSPY-UHFFFAOYSA-N 0 0 382.401 3.222 50 0 GGAARN Cc1cccn2cc(-c3ccccc3NC(=O)Cn3cnc(C)c(C)c3=O)nc12 ZINC000206902090 570755181 /nfs/dbraw/zinc/75/51/81/570755181.db2.gz ZIUQUZISVLXOLS-UHFFFAOYSA-N 0 0 387.443 3.122 50 0 GGAARN O=C(NC[C@H]1CCCN(c2nccs2)C1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000206835238 570755404 /nfs/dbraw/zinc/75/54/04/570755404.db2.gz BPJSHLKXIGBUCI-CYBMUJFWSA-N 0 0 385.468 3.319 50 0 GGAARN CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1nc2ccccc2[nH]1 ZINC000052633744 570755718 /nfs/dbraw/zinc/75/57/18/570755718.db2.gz BHHSLHBAEMHBDL-KXBFYZLASA-N 0 0 394.475 3.408 50 0 GGAARN CN(C)c1ccc(C(=S)N2CCN(C(=S)Nc3ccccc3)CC2)cc1 ZINC000013497296 570756150 /nfs/dbraw/zinc/75/61/50/570756150.db2.gz PISQPWHGKHNQPL-UHFFFAOYSA-N 0 0 384.574 3.443 50 0 GGAARN O=C(c1ccc(NC(=S)Nc2ccc(F)cc2F)cc1)N1CCOCC1 ZINC000013497566 570756201 /nfs/dbraw/zinc/75/62/01/570756201.db2.gz DPBBGDNTCOJUAZ-UHFFFAOYSA-N 0 0 377.416 3.246 50 0 GGAARN COc1ccc(NC(=O)c2nnn(-c3cccc(SC)c3)c2N)cc1Cl ZINC000013550585 570757843 /nfs/dbraw/zinc/75/78/43/570757843.db2.gz AMUVUIOQDYVLPK-UHFFFAOYSA-N 0 0 389.868 3.486 50 0 GGAARN Cc1ccc(C(O)=C2[C@H](c3ccc(F)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013562947 570758266 /nfs/dbraw/zinc/75/82/66/570758266.db2.gz XTEXKLOHKUNMQQ-MPGHIAIKSA-N 0 0 396.340 3.238 50 0 GGAARN COc1ccc(-n2nc(C(=O)NCCCOC(C)C)nc2-c2ccccc2)cc1 ZINC000013568896 570758876 /nfs/dbraw/zinc/75/88/76/570758876.db2.gz TUEHANIMSYCWQY-UHFFFAOYSA-N 0 0 394.475 3.488 50 0 GGAARN COc1ccc(OCc2nnc3sc(-c4cc(CC(C)C)[nH]n4)nn23)cc1 ZINC000013570563 570759239 /nfs/dbraw/zinc/75/92/39/570759239.db2.gz QDWRMGKXSHVUHS-UHFFFAOYSA-N 0 0 384.465 3.362 50 0 GGAARN COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NC[C@@H]2CCCO2)cc1 ZINC000013571540 570759344 /nfs/dbraw/zinc/75/93/44/570759344.db2.gz DUHCVQWCIJGNFA-RUAJRXAUSA-N 0 0 394.471 3.070 50 0 GGAARN O=C(CCN1CCCO1)N1CCC[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000013594889 570761477 /nfs/dbraw/zinc/76/14/77/570761477.db2.gz WEMKWDOXSOVRQX-OAHLLOKOSA-N 0 0 384.398 3.154 50 0 GGAARN COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3cc(C)nc(C)n3)C2)cc1C ZINC000013595170 570761557 /nfs/dbraw/zinc/76/15/57/570761557.db2.gz GRGPHBYQXCIXDV-KRWDZBQOSA-N 0 0 381.476 3.454 50 0 GGAARN CN(Cc1nc(C(c2ccccc2)c2ccccc2)no1)C[C@H]1COCCO1 ZINC000013595217 570761596 /nfs/dbraw/zinc/76/15/96/570761596.db2.gz NJPYPBRTHCCIND-IBGZPJMESA-N 0 0 379.460 3.097 50 0 GGAARN Cc1nnc(CC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(C)n2)[nH]1 ZINC000013595283 570761638 /nfs/dbraw/zinc/76/16/38/570761638.db2.gz WKMPFQXELIKDJV-QFIPXVFZSA-N 0 0 386.459 3.015 50 0 GGAARN COc1ccc2cc(C(=O)N3CCC(Oc4cc(C)oc(=O)c4)CC3)[nH]c2c1 ZINC000206974421 570762772 /nfs/dbraw/zinc/76/27/72/570762772.db2.gz QQBWDNQBQRZKIG-UHFFFAOYSA-N 0 0 382.416 3.122 50 0 GGAARN Cc1cc(OC2CCN(C(=O)c3ccc4nccc(C)c4c3)CC2)cc(=O)o1 ZINC000206972479 570762840 /nfs/dbraw/zinc/76/28/40/570762840.db2.gz RNCNLDPYLQGVCV-UHFFFAOYSA-N 0 0 378.428 3.488 50 0 GGAARN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000013615818 570762844 /nfs/dbraw/zinc/76/28/44/570762844.db2.gz XAAVNNVWVAXTAX-AWEZNQCLSA-N 0 0 386.477 3.060 50 0 GGAARN Cc1cc(OC2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)cc(=O)o1 ZINC000206972969 570762868 /nfs/dbraw/zinc/76/28/68/570762868.db2.gz WGCPTYGKQWUXNR-UHFFFAOYSA-N 0 0 379.416 3.022 50 0 GGAARN COc1ccccc1[C@H]1C(C(N)=O)=C(C)Nc2nc(-c3ccccc3Cl)nn21 ZINC000013132323 570763292 /nfs/dbraw/zinc/76/32/92/570763292.db2.gz SSMCDPASTBVMHV-KRWDZBQOSA-N 0 0 395.850 3.381 50 0 GGAARN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(N2C(=O)CSC2=O)CC1 ZINC000206981820 570763644 /nfs/dbraw/zinc/76/36/44/570763644.db2.gz RXKKKKYSYJZOCK-UHFFFAOYSA-N 0 0 376.522 3.279 50 0 GGAARN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1ccc(OC)c(OC)c1 ZINC000013625258 570763711 /nfs/dbraw/zinc/76/37/11/570763711.db2.gz LTFUPQNROZPRTI-UHFFFAOYSA-N 0 0 384.388 3.233 50 0 GGAARN CCOc1ccc(CC(=O)NCCc2c[nH]c(-c3ccc(OC)cc3)n2)cc1 ZINC000013627588 570763850 /nfs/dbraw/zinc/76/38/50/570763850.db2.gz MSFAWRRTTSRRMK-UHFFFAOYSA-N 0 0 379.460 3.385 50 0 GGAARN COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)o2)cc1 ZINC000524729787 570764162 /nfs/dbraw/zinc/76/41/62/570764162.db2.gz JHMCALIOZLNEPZ-OAHLLOKOSA-N 0 0 393.395 3.181 50 0 biogenic GGAARN CC[C@H](CO)N(Cc1ccccn1)C(=O)c1cc(NC(C)=O)ccc1Cl ZINC000065393906 570764967 /nfs/dbraw/zinc/76/49/67/570764967.db2.gz DDZXWAVZDREQDT-MRXNPFEDSA-N 0 0 375.856 3.107 50 0 GGAARN CCOC(=O)c1ccc(NC(=S)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000013635695 570765209 /nfs/dbraw/zinc/76/52/09/570765209.db2.gz ZWQQOEJIUINMFF-UHFFFAOYSA-N 0 0 388.489 3.410 50 0 GGAARN Cn1c2ccccc2nc1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000013640688 570765582 /nfs/dbraw/zinc/76/55/82/570765582.db2.gz CAAYFMRKDQFSIN-UHFFFAOYSA-N 0 0 387.443 3.262 50 0 GGAARN CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000524731530 570766392 /nfs/dbraw/zinc/76/63/92/570766392.db2.gz AUGVUGZRELKUJO-UXHICEINSA-N 0 0 393.512 3.229 50 0 biogenic GGAARN CC(C)OC(=O)c1c(N)n(CCCn2ccnc2)c2nc3ccccc3nc21 ZINC000013646910 570766568 /nfs/dbraw/zinc/76/65/68/570766568.db2.gz UIZVPDKPAAEWIP-UHFFFAOYSA-N 0 0 378.436 3.019 50 0 GGAARN CCCCCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000524731921 570766780 /nfs/dbraw/zinc/76/67/80/570766780.db2.gz PBBWHBNKRLPMJJ-FQEVSTJZSA-N 0 0 377.444 3.108 50 0 biogenic GGAARN Cc1nn(-c2ccccc2C)c2c1[C@H](c1ccc(OCC(N)=O)cc1)CC(=O)N2 ZINC000013655667 570767220 /nfs/dbraw/zinc/76/72/20/570767220.db2.gz BRSKFOVWJQHLGO-KRWDZBQOSA-N 0 0 390.443 3.477 50 0 GGAARN Cc1nn(-c2ccccc2C)c2c1[C@@H](c1ccc(OCC(N)=O)cc1)CC(=O)N2 ZINC000013655665 570767273 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O=C(C[C@H](c1ccsc1)n1cccc1)NCCc1nc(-c2ccccn2)no1 ZINC000524734428 570771083 /nfs/dbraw/zinc/77/10/83/570771083.db2.gz DQSUOTIYKFGXFR-QGZVFWFLSA-N 0 0 393.472 3.333 50 0 GGAARN COc1cc2c(cc1OC)[C@@H](NC(=O)Cc1csc(-n3cccc3)n1)CC2 ZINC000524734667 570771969 /nfs/dbraw/zinc/77/19/69/570771969.db2.gz AIYZDESGEMMPJE-INIZCTEOSA-N 0 0 383.473 3.297 50 0 GGAARN O=C(NCCc1c[nH]c2ccccc12)c1c2c(sc1-n1cnnn1)CCCC2 ZINC000524734996 570772460 /nfs/dbraw/zinc/77/24/60/570772460.db2.gz YBHXBSZTXGEZES-UHFFFAOYSA-N 0 0 392.488 3.056 50 0 GGAARN CN1[C@H](Cc2ccc(-c3ccc(F)cc3)o2)[C@@H](O)c2ccccc2S1(=O)=O ZINC000013680932 570773125 /nfs/dbraw/zinc/77/31/25/570773125.db2.gz ZYVLTEQCEZAIMS-XLIONFOSSA-N 0 0 387.432 3.365 50 0 GGAARN COc1ccc([C@H](NC(=O)c2c3c(sc2-n2cnnn2)CCC3)C(C)C)cc1 ZINC000524735804 570774528 /nfs/dbraw/zinc/77/45/28/570774528.db2.gz ZEXOTJVBFXOBPV-GOSISDBHSA-N 0 0 397.504 3.348 50 0 GGAARN CCN1CCn2c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3nc2C1 ZINC000013687615 570774753 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CCOc1ccccc1N1CCN(C(=O)NCc2snnc2C(C)C)CC1 ZINC000534672457 570921401 /nfs/dbraw/zinc/92/14/01/570921401.db2.gz KFHGOGRJVWVWEV-UHFFFAOYSA-N 0 0 389.525 3.092 50 0 GGAARN CNC(=O)C1(NC(=O)NCc2cc(Cl)ccc2OC(C)C)CCCCC1 ZINC000534673745 570921585 /nfs/dbraw/zinc/92/15/85/570921585.db2.gz IEYAHFSKPFFDON-UHFFFAOYSA-N 0 0 381.904 3.375 50 0 GGAARN Cc1cc(C)n(CC2(CNC(=O)N(C)Cc3nc4cc(C)ccc4[nH]3)CC2)n1 ZINC000534662659 570921948 /nfs/dbraw/zinc/92/19/48/570921948.db2.gz YHWKNFZSTMUIGA-UHFFFAOYSA-N 0 0 380.496 3.306 50 0 GGAARN Cc1cc(C)n([C@H]2CCN(C(=O)NCc3nc(-c4ccccc4C)no3)C2)n1 ZINC000534661931 570922158 /nfs/dbraw/zinc/92/21/58/570922158.db2.gz BNQJJRRKLVKNQS-INIZCTEOSA-N 0 0 380.452 3.015 50 0 GGAARN CC(C)(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccco1 ZINC000004036011 570923382 /nfs/dbraw/zinc/92/33/82/570923382.db2.gz SKRSIMLRGNLQJT-MRXNPFEDSA-N 0 0 389.477 3.375 50 0 GGAARN COc1ccc(CCC(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)c(OC)c1 ZINC000207986273 570923697 /nfs/dbraw/zinc/92/36/97/570923697.db2.gz XTDCZVNOZPDSFU-HSZRJFAPSA-N 0 0 395.455 3.325 50 0 GGAARN CC(C)(C)C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccco1 ZINC000004036104 570923866 /nfs/dbraw/zinc/92/38/66/570923866.db2.gz UFHGPJGUJKFQGJ-INIZCTEOSA-N 0 0 389.477 3.375 50 0 GGAARN O=C(/C=C/c1ccco1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000016430063 570924681 /nfs/dbraw/zinc/92/46/81/570924681.db2.gz CGYBZQSJGUQBIW-MDZDMXLPSA-N 0 0 391.427 3.487 50 0 GGAARN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019169543 570924909 /nfs/dbraw/zinc/92/49/09/570924909.db2.gz HIAMCDCGYITHEU-QRVBRYPASA-N 0 0 381.863 3.184 50 0 GGAARN CCc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4)N4CCCN4[C@@H]3C2=O)cc1 ZINC000019169793 570925022 /nfs/dbraw/zinc/92/50/22/570925022.db2.gz OOKOBYPRXQYUTR-UFYCRDLUSA-N 0 0 395.890 3.438 50 0 GGAARN COc1ccc(Cl)c(N2CCN(CCNC(=O)Nc3ccccc3)CC2)c1 ZINC000016487655 570926146 /nfs/dbraw/zinc/92/61/46/570926146.db2.gz WXRANZACJABBIT-UHFFFAOYSA-N 0 0 388.899 3.292 50 0 GGAARN Cc1nc2n(CCN3CCOCC3)c3ccccc3n2c1C(=O)c1cccs1 ZINC000019554896 570927872 /nfs/dbraw/zinc/92/78/72/570927872.db2.gz KWHCBVYCCCPFBK-UHFFFAOYSA-N 0 0 394.500 3.222 50 0 GGAARN COc1ccc(CCNC(=O)C(=O)c2c(C)n(C)c3ccccc32)cc1OC ZINC000004062566 570928057 /nfs/dbraw/zinc/92/80/57/570928057.db2.gz LILGMROHODYYEN-UHFFFAOYSA-N 0 0 380.444 3.046 50 0 GGAARN Cc1ccc(-c2csc3ncc(C(=O)NCc4ccncc4)c(=O)n23)cc1 ZINC000016625227 570928750 /nfs/dbraw/zinc/92/87/50/570928750.db2.gz BQDUZHWAQOOAJZ-UHFFFAOYSA-N 0 0 376.441 3.056 50 0 GGAARN CCN1CCN(c2nc(C)c3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)CC1 ZINC000016624647 570928920 /nfs/dbraw/zinc/92/89/20/570928920.db2.gz LSYGFSQEFVWJQP-INIZCTEOSA-N 0 0 384.911 3.493 50 0 GGAARN COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c(OC)c1 ZINC000016635748 570929360 /nfs/dbraw/zinc/92/93/60/570929360.db2.gz KGOZIDDSGKEMLB-OAHLLOKOSA-N 0 0 386.423 3.334 50 0 GGAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cnn(C)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263587163 570929452 /nfs/dbraw/zinc/92/94/52/570929452.db2.gz CXWJFGKFWRXVEC-IBGZPJMESA-N 0 0 389.459 3.156 50 0 GGAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cnn(C)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263587164 570929486 /nfs/dbraw/zinc/92/94/86/570929486.db2.gz CXWJFGKFWRXVEC-LJQANCHMSA-N 0 0 389.459 3.156 50 0 GGAARN CCn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(C)cc3)ccc21 ZINC000016651030 570929830 /nfs/dbraw/zinc/92/98/30/570929830.db2.gz FIJPQUJACRVGCU-UHFFFAOYSA-N 0 0 378.476 3.449 50 0 GGAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000000793156 570929910 /nfs/dbraw/zinc/92/99/10/570929910.db2.gz HMZKLMHTAKCOFT-MRXNPFEDSA-N 0 0 388.489 3.125 50 0 GGAARN CC(C)(C)C(=O)N1CCC(C(=O)Nc2nnc(Cc3ccccc3)s2)CC1 ZINC000016651698 570929921 /nfs/dbraw/zinc/92/99/21/570929921.db2.gz MZOGAQUNSPXBIE-UHFFFAOYSA-N 0 0 386.521 3.352 50 0 GGAARN CC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccccc3C)n2)ccc1C ZINC000016650515 570929968 /nfs/dbraw/zinc/92/99/68/570929968.db2.gz MLKLQJPFUKARHV-UHFFFAOYSA-N 0 0 390.443 3.124 50 0 GGAARN COc1ccc(CCNC(=O)CSc2nnc(-c3ccccc3)o2)cc1OC ZINC000000882225 570930065 /nfs/dbraw/zinc/93/00/65/570930065.db2.gz WGQZVWSBXNDPTK-UHFFFAOYSA-N 0 0 399.472 3.205 50 0 GGAARN Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 ZINC000004073301 570930362 /nfs/dbraw/zinc/93/03/62/570930362.db2.gz QLSQIRLUTZBLDK-DGGJZMOXSA-N 0 0 399.487 3.331 50 0 biogenic GGAARN CC(=O)Nc1ccc(NC(=O)COc2c(=O)ccn(CCC(C)C)c2C)cc1 ZINC000263587275 570930369 /nfs/dbraw/zinc/93/03/69/570930369.db2.gz FDAMSFTVSFISQX-UHFFFAOYSA-N 0 0 385.464 3.179 50 0 GGAARN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCc1ccccc1 ZINC000000935959 570930376 /nfs/dbraw/zinc/93/03/76/570930376.db2.gz CFQQCVLLPDYURE-UHFFFAOYSA-N 0 0 375.453 3.441 50 0 GGAARN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000001057418 570930865 /nfs/dbraw/zinc/93/08/65/570930865.db2.gz GTLBHZJDVDURGV-MRXNPFEDSA-N 0 0 388.489 3.043 50 0 GGAARN Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1C ZINC000001079021 570931230 /nfs/dbraw/zinc/93/12/30/570931230.db2.gz AELCIKZNQSFFPS-UHFFFAOYSA-N 0 0 390.505 3.255 50 0 GGAARN CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(OCC)c2)c1 ZINC000016693197 570931264 /nfs/dbraw/zinc/93/12/64/570931264.db2.gz KGYLRXROQSMPJE-UHFFFAOYSA-N 0 0 398.459 3.351 50 0 GGAARN COc1ccc(-c2nc3s/c(=C/C=C/c4ccccc4OC)c(=O)n3n2)cc1 ZINC000016728915 570931572 /nfs/dbraw/zinc/93/15/72/570931572.db2.gz RRTVDOBJPNWJEO-JXGVBEJFSA-N 0 0 391.452 3.048 50 0 GGAARN COc1ccc(CCNC(=O)N[C@@H](CC(C)C)c2nnc3ccccn32)cc1 ZINC000263587339 570931599 /nfs/dbraw/zinc/93/15/99/570931599.db2.gz FUQWCEVRSOUGQK-SFHVURJKSA-N 0 0 381.480 3.367 50 0 GGAARN CCCOc1ccccc1/C=c1\sc2nc(-c3ccc(OC)cc3)nn2c1=O ZINC000016728744 570931826 /nfs/dbraw/zinc/93/18/26/570931826.db2.gz DHWPJFCMXSHVGI-AQTBWJFISA-N 0 0 393.468 3.163 50 0 GGAARN O=C(C[C@@H](c1ccsc1)n1cccc1)NCCc1nc(-c2ccncc2)no1 ZINC000263587817 570932100 /nfs/dbraw/zinc/93/21/00/570932100.db2.gz LONOIEKCZXPCRP-KRWDZBQOSA-N 0 0 393.472 3.333 50 0 GGAARN Cn1ccnc1[C@@H](NC(=O)CC1(n2cccc2)CCOCC1)c1ccccc1 ZINC000263588352 570932210 /nfs/dbraw/zinc/93/22/10/570932210.db2.gz SELJDQFNIFKVPC-FQEVSTJZSA-N 0 0 378.476 3.023 50 0 GGAARN COc1ccc(/C=c2/sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)cc1 ZINC000016741585 570932268 /nfs/dbraw/zinc/93/22/68/570932268.db2.gz XDEXIUVAHSJSQP-VFLBTRNGSA-N 0 0 379.416 3.017 50 0 GGAARN COc1ccccc1NC(=O)CSc1nnc(NC(=O)NC(C)(C)C)s1 ZINC000004851471 570932512 /nfs/dbraw/zinc/93/25/12/570932512.db2.gz GXCGCWZAEMAZPL-UHFFFAOYSA-N 0 0 395.510 3.198 50 0 GGAARN CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCOC)c1 ZINC000016751164 570932540 /nfs/dbraw/zinc/93/25/40/570932540.db2.gz HVTYDBJTVCRGJM-IBGZPJMESA-N 0 0 379.412 3.383 50 0 GGAARN CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)c1 ZINC000016753574 570932546 /nfs/dbraw/zinc/93/25/46/570932546.db2.gz DZLYVZHAKFBFAU-LJQANCHMSA-N 0 0 379.412 3.119 50 0 GGAARN Cc1ccc(/C=C/C(=O)N(Cc2cccc(F)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016753481 570932571 /nfs/dbraw/zinc/93/25/71/570932571.db2.gz WHZLQAALYJFHCD-SQUSKLHYSA-N 0 0 387.476 3.363 50 0 GGAARN CCOc1ccccc1/C=c1\sc2nc(/C=C/c3ccc(F)cc3)nn2c1=O ZINC000016750622 570932650 /nfs/dbraw/zinc/93/26/50/570932650.db2.gz FKFQCTCJNAZZED-KTYKIUSQSA-N 0 0 393.443 3.407 50 0 GGAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(O)c2)N1C[C@@H]1CCCO1 ZINC000016742021 570932666 /nfs/dbraw/zinc/93/26/66/570932666.db2.gz DKRACDMZSWELPH-HNAYVOBHSA-N 0 0 377.396 3.223 50 0 GGAARN COc1cccc(CN(C(=O)/C=C/c2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016742516 570932688 /nfs/dbraw/zinc/93/26/88/570932688.db2.gz KYWYYLCBHAVYQR-CFGKVWFZSA-N 0 0 399.512 3.233 50 0 GGAARN CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)cc1 ZINC000016752650 570932708 /nfs/dbraw/zinc/93/27/08/570932708.db2.gz VNHYQABTXOSIKF-IBGZPJMESA-N 0 0 379.412 3.119 50 0 GGAARN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3ccc4c(c3)OCCO4)ccc12 ZINC000001787287 570932704 /nfs/dbraw/zinc/93/27/04/570932704.db2.gz IRDNUNFQSGEBKN-CYBMUJFWSA-N 0 0 381.384 3.279 50 0 GGAARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)ccc12 ZINC000001787285 570932739 /nfs/dbraw/zinc/93/27/39/570932739.db2.gz IRDNUNFQSGEBKN-ZDUSSCGKSA-N 0 0 381.384 3.279 50 0 GGAARN Cc1ccccc1OCC(=O)NCC(=O)OCC(=O)c1ccc2ccccc2c1 ZINC000001852276 570932742 /nfs/dbraw/zinc/93/27/42/570932742.db2.gz IDZHTXAQLXVBJW-UHFFFAOYSA-N 0 0 391.423 3.069 50 0 aggregator GGAARN Cc1cc(C)nc(Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)n1 ZINC000001921693 570932745 /nfs/dbraw/zinc/93/27/45/570932745.db2.gz PCZMSGNVZFRVGM-UHFFFAOYSA-N 0 0 382.489 3.358 50 0 GGAARN O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1ccc2c(c1)OCO2 ZINC000016769010 570933158 /nfs/dbraw/zinc/93/31/58/570933158.db2.gz HQLOKBULISNMKT-UHFFFAOYSA-N 0 0 385.401 3.152 50 0 GGAARN Cc1ccc(CNC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 ZINC000015391273 570933350 /nfs/dbraw/zinc/93/33/50/570933350.db2.gz UWRVYDLJJSERBR-KRWDZBQOSA-N 0 0 392.546 3.306 50 0 GGAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NCc2cccs2)cc1 ZINC000015390807 570933442 /nfs/dbraw/zinc/93/34/42/570933442.db2.gz VZBUHRZYZRSBNJ-MRXNPFEDSA-N 0 0 392.546 3.306 50 0 GGAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NCc2ccccc2)cc1 ZINC000015390741 570933540 /nfs/dbraw/zinc/93/35/40/570933540.db2.gz QRONKWMSUJZORU-IBGZPJMESA-N 0 0 386.517 3.245 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2ccccc2)cc1 ZINC000015391190 570933580 /nfs/dbraw/zinc/93/35/80/570933580.db2.gz BNJGAXGRSJFWGC-KRWDZBQOSA-N 0 0 388.489 3.267 50 0 GGAARN CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)c1 ZINC000016806675 570933683 /nfs/dbraw/zinc/93/36/83/570933683.db2.gz NTWROYHLEITLCV-IBGZPJMESA-N 0 0 379.412 3.038 50 0 GGAARN O=C(NC[C@H]1CCCO1)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000002873606 570933734 /nfs/dbraw/zinc/93/37/34/570933734.db2.gz ITLALNGYKRWTTA-CYBMUJFWSA-N 0 0 390.365 3.324 50 0 GGAARN Cc1cc(C)cc(N([C@H](C)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c1 ZINC000003612479 570934756 /nfs/dbraw/zinc/93/47/56/570934756.db2.gz OBMXLGMHTWWEND-QGZVFWFLSA-N 0 0 386.517 3.043 50 0 GGAARN Cc1ccccc1COc1ccc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1 ZINC000017043551 570938212 /nfs/dbraw/zinc/93/82/12/570938212.db2.gz BOVIHHHCKZLKEP-SFHVURJKSA-N 0 0 375.428 3.440 50 0 GGAARN O=C(NC1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000006703608 570938869 /nfs/dbraw/zinc/93/88/69/570938869.db2.gz HUFTVVUUOPMAGQ-SFHVURJKSA-N 0 0 386.517 3.299 50 0 GGAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)NC2CCCC2)n1C ZINC000017077404 570939411 /nfs/dbraw/zinc/93/94/11/570939411.db2.gz PNUMGWPTZSPXEP-GFCCVEGCSA-N 0 0 378.473 3.245 50 0 GGAARN CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000017078166 570939513 /nfs/dbraw/zinc/93/95/13/570939513.db2.gz ADVAXSIQIAOCKS-UHFFFAOYSA-N 0 0 382.526 3.271 50 0 GGAARN CCc1cc(=O)n(CC(=O)Nc2c(C)cc(C)cc2C)c(-n2nc(C)cc2C)n1 ZINC000013959516 570939479 /nfs/dbraw/zinc/93/94/79/570939479.db2.gz KBCCHHWIJPRMLO-UHFFFAOYSA-N 0 0 393.491 3.172 50 0 GGAARN O=S(=O)(c1ccc(NC(=S)N2CCc3ccccc32)cc1)N1CCCC1 ZINC000017079160 570940013 /nfs/dbraw/zinc/94/00/13/570940013.db2.gz OAOPLDNIZWGRNT-UHFFFAOYSA-N 0 0 387.530 3.231 50 0 GGAARN CC(C)NC(=S)Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000017079542 570940500 /nfs/dbraw/zinc/94/05/00/570940500.db2.gz YBCOQXNXYBVOJY-UHFFFAOYSA-N 0 0 389.546 3.128 50 0 GGAARN COC(=O)c1c(NC(=O)c2cnccn2)sc2c1-c1ccc(OC)cc1CC2 ZINC000017080816 570941360 /nfs/dbraw/zinc/94/13/60/570941360.db2.gz ZZTGQFVMMHVNNA-UHFFFAOYSA-N 0 0 395.440 3.351 50 0 GGAARN Cc1c(C(=O)C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2n1C ZINC000023182865 570941465 /nfs/dbraw/zinc/94/14/65/570941465.db2.gz QCKXLMBXVSPZQT-UHFFFAOYSA-N 0 0 375.472 3.014 50 0 GGAARN COc1ccc(Nc2nc(NC[C@@H](C)O)nc3c2cnn3-c2ccccc2)cc1 ZINC000017113804 570941629 /nfs/dbraw/zinc/94/16/29/570941629.db2.gz WSDKWTVATFCHMJ-CQSZACIVSA-N 0 0 390.447 3.360 50 0 GGAARN CCOc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3ccccc3OC)oc21 ZINC000017130888 570942189 /nfs/dbraw/zinc/94/21/89/570942189.db2.gz FZTIZLWCJJXBDE-LNVKXUELSA-N 0 0 380.400 3.349 50 0 GGAARN O=C(Cc1nnc(NC(=O)Nc2ccc(F)cc2)s1)NCc1ccccc1 ZINC000017138520 570942224 /nfs/dbraw/zinc/94/22/24/570942224.db2.gz IIXLIONTNOMOJR-UHFFFAOYSA-N 0 0 385.424 3.180 50 0 GGAARN COc1cccc([C@H]2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000017198120 570943103 /nfs/dbraw/zinc/94/31/03/570943103.db2.gz JZUKRXJFEKTGPR-OAQYLSRUSA-N 0 0 395.484 3.272 50 0 GGAARN CCn1c2ccccc2nc(C(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O ZINC000033269512 570946612 /nfs/dbraw/zinc/94/66/12/570946612.db2.gz HGBWBZYYLUSHTR-UHFFFAOYSA-N 0 0 387.823 3.339 50 0 GGAARN CCn1c(SCC(=O)Nc2cc(OC)cc(OC)c2)nnc1-c1ccncc1 ZINC000000731777 570946685 /nfs/dbraw/zinc/94/66/85/570946685.db2.gz DBTFVMGLWGAPCG-UHFFFAOYSA-N 0 0 399.476 3.108 50 0 GGAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1CC ZINC000000779251 570946694 /nfs/dbraw/zinc/94/66/94/570946694.db2.gz IHFBAWVZBOPYLK-UHFFFAOYSA-N 0 0 383.477 3.490 50 0 GGAARN Cc1sc2ncnc(N3CCC(C(=O)NCCCOC(C)C)CC3)c2c1C ZINC000017408360 570946880 /nfs/dbraw/zinc/94/68/80/570946880.db2.gz LNRNPWBTLBZERK-UHFFFAOYSA-N 0 0 390.553 3.456 50 0 GGAARN CCOc1ccc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1OC ZINC000002533455 570947906 /nfs/dbraw/zinc/94/79/06/570947906.db2.gz MSRIOXIOKSAGBZ-LDADJPATSA-N 0 0 393.468 3.081 50 0 GGAARN CN1CC(=O)N2[C@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002105338 570948119 /nfs/dbraw/zinc/94/81/19/570948119.db2.gz HERFNNTYFIIIDQ-FXAWDEMLSA-N 0 0 379.847 3.136 50 0 biogenic GGAARN Cc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000018006281 570949602 /nfs/dbraw/zinc/94/96/02/570949602.db2.gz ZAMNYYONJJGJGX-UHFFFAOYSA-N 0 0 391.460 3.090 50 0 GGAARN COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2S(C)(=O)=O)c1OC ZINC000001245519 570949696 /nfs/dbraw/zinc/94/96/96/570949696.db2.gz CFKDBQWZWHOIBX-MRXNPFEDSA-N 0 0 394.880 3.468 50 0 GGAARN CCc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000002108949 570949860 /nfs/dbraw/zinc/94/98/60/570949860.db2.gz AKACSWKBUFCDQN-QDOIMOTRSA-N 0 0 399.487 3.276 50 0 biogenic GGAARN CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1nccs1 ZINC000004735887 570950225 /nfs/dbraw/zinc/95/02/25/570950225.db2.gz WSZHKJDRNNVJQW-UHFFFAOYSA-N 0 0 389.506 3.373 50 0 GGAARN CC(C)[C@@H]1Cc2c(sc3nc(NN)n(CCc4ccccc4)c(=O)c23)CO1 ZINC000001250849 570950273 /nfs/dbraw/zinc/95/02/73/570950273.db2.gz KHGIJDCAKFUUFO-HNNXBMFYSA-N 0 0 384.505 3.084 50 0 GGAARN Cn1ncnc1COC(=O)[C@@H](NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000585138594 570950996 /nfs/dbraw/zinc/95/09/96/570950996.db2.gz JUIKQFASSDUWOE-LBPRGKRZSA-N 0 0 397.184 3.058 50 0 GGAARN COc1ccc(NC(=O)[C@@H]2CC(=O)N=C(Nc3ccc(C)cc3)S2)c(OC)c1 ZINC000018180809 570950971 /nfs/dbraw/zinc/95/09/71/570950971.db2.gz AJUQLPYJPBMXHA-KRWDZBQOSA-N 0 0 399.472 3.451 50 0 GGAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000019842663 570951081 /nfs/dbraw/zinc/95/10/81/570951081.db2.gz GMZFKBFLTAQFBB-UHFFFAOYSA-N 0 0 384.476 3.485 50 0 GGAARN O=C(c1nn(-c2ccccc2)c2c(O)n(-c3ccccc3)c(O)c12)c1ccccc1 ZINC000018173509 570951207 /nfs/dbraw/zinc/95/12/07/570951207.db2.gz LLBJGSNZMIRERE-TZIWHRDSSA-N 0 0 395.418 3.304 50 0 GGAARN O=C1C[C@H](c2cccs2)Cc2nc(N3CCN(c4ccccn4)CC3)ncc21 ZINC000018172916 570951298 /nfs/dbraw/zinc/95/12/98/570951298.db2.gz ZZCJHLITLZMZEC-OAHLLOKOSA-N 0 0 391.500 3.172 50 0 GGAARN CCOc1ccc(C(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1 ZINC000018210585 570951466 /nfs/dbraw/zinc/95/14/66/570951466.db2.gz QLCOHDVUUVPHJW-UHFFFAOYSA-N 0 0 393.472 3.490 50 0 GGAARN CC[C@@H](C(=O)NC[C@@H](C)Cn1nccc1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607680 570951898 /nfs/dbraw/zinc/95/18/98/570951898.db2.gz BALMOAFKIUZZDS-DOMZBBRYSA-N 0 0 397.445 3.299 50 0 GGAARN Cc1cc(OCC(=O)N2CCC(C(N)=O)CC2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000002115737 570952403 /nfs/dbraw/zinc/95/24/03/570952403.db2.gz TVYUVMFWUPOERZ-UHFFFAOYSA-N 0 0 398.459 3.133 50 0 biogenic GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(F)c(F)c4)c3CO2)cc1 ZINC000263615260 570953167 /nfs/dbraw/zinc/95/31/67/570953167.db2.gz BMAPKBVTIFSNLL-QGZVFWFLSA-N 0 0 386.358 3.089 50 0 GGAARN COc1cccc(-c2cc3n(n2)[C@H](NCc2ccc(SC)cc2)CNC3=O)c1 ZINC000263615885 570953562 /nfs/dbraw/zinc/95/35/62/570953562.db2.gz FSMKLJOOOYGETM-FQEVSTJZSA-N 0 0 394.500 3.312 50 0 GGAARN O=c1c2c(CO)c(-c3cccc(F)c3)nn2ccn1CCOc1ccc(F)cc1 ZINC000263615967 570953613 /nfs/dbraw/zinc/95/36/13/570953613.db2.gz GHXXAQILZPMZMN-UHFFFAOYSA-N 0 0 397.381 3.013 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4cc(C)ccc4C)c3CO2)cc1 ZINC000263616015 570953816 /nfs/dbraw/zinc/95/38/16/570953816.db2.gz GLTSDONVZIOCBJ-IBGZPJMESA-N 0 0 378.432 3.427 50 0 GGAARN O=C(Nc1ccccc1)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 ZINC000263616569 570954305 /nfs/dbraw/zinc/95/43/05/570954305.db2.gz JLTRMHKDILNMEP-INIZCTEOSA-N 0 0 375.476 3.463 50 0 GGAARN CCOc1ccc(-c2cc3c(=O)n(C[C@H](O)c4ccc(F)cc4)ccn3n2)cc1 ZINC000263616218 570954324 /nfs/dbraw/zinc/95/43/24/570954324.db2.gz HQNJTFJBDXZQTC-NRFANRHFSA-N 0 0 393.418 3.434 50 0 GGAARN O=C(NCc1ccccc1)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 ZINC000263616941 570954332 /nfs/dbraw/zinc/95/43/32/570954332.db2.gz LGYHRKNOAJMUEH-UHFFFAOYSA-N 0 0 389.503 3.141 50 0 GGAARN CCOc1ccccc1CN[C@H]1CNC(=O)c2cc(-c3ccc(C)cc3)nn21 ZINC000263616572 570954344 /nfs/dbraw/zinc/95/43/44/570954344.db2.gz JLUPTTGXHWKRPW-OAQYLSRUSA-N 0 0 376.460 3.289 50 0 GGAARN O=C(NCc1ccccc1Cl)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 ZINC000263616345 570954362 /nfs/dbraw/zinc/95/43/62/570954362.db2.gz IENBRJDYSYIKID-KRWDZBQOSA-N 0 0 386.814 3.272 50 0 GGAARN CC(C)OCCCNC(=O)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 ZINC000263616292 570954382 /nfs/dbraw/zinc/95/43/82/570954382.db2.gz HYBFQSUBGYCYTO-UHFFFAOYSA-N 0 0 396.487 3.153 50 0 GGAARN COc1ccc([C@@H](O)Cn2ccn3nc(-c4ccccc4C)cc3c2=O)cc1 ZINC000263616710 570954394 /nfs/dbraw/zinc/95/43/94/570954394.db2.gz KEDAYGUTCLKAJJ-NRFANRHFSA-N 0 0 375.428 3.214 50 0 GGAARN COc1ccc(Cn2ccn3nc(-c4ccc(C)cc4)c(CO)c3c2=O)cc1F ZINC000263616427 570954438 /nfs/dbraw/zinc/95/44/38/570954438.db2.gz IPVGJGZEPMVLDP-UHFFFAOYSA-N 0 0 393.418 3.160 50 0 GGAARN COc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccncc5)no4)c3CO2)cc1 ZINC000263617579 570954717 /nfs/dbraw/zinc/95/47/17/570954717.db2.gz ONURZTBMWDLSBR-KRWDZBQOSA-N 0 0 375.388 3.275 50 0 GGAARN COc1cccc([C@@H](O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c1 ZINC000263618438 570954726 /nfs/dbraw/zinc/95/47/26/570954726.db2.gz SZSARWSEQNIXKR-FQEVSTJZSA-N 0 0 379.391 3.044 50 0 GGAARN O=C(NCc1ccco1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 ZINC000263617836 570954818 /nfs/dbraw/zinc/95/48/18/570954818.db2.gz PZBYHAZAPFHLCJ-UHFFFAOYSA-N 0 0 376.412 3.131 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(F)cc4C)c3CO2)cc1 ZINC000263619208 570955020 /nfs/dbraw/zinc/95/50/20/570955020.db2.gz XLRHBQVZHYIQTH-GOSISDBHSA-N 0 0 382.395 3.258 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4cc(C)cc(C)c4)c3CO2)cc1 ZINC000263618869 570955039 /nfs/dbraw/zinc/95/50/39/570955039.db2.gz VWYFAWSDZKWYJT-IBGZPJMESA-N 0 0 378.432 3.427 50 0 GGAARN COc1ccccc1Cn1ccn2nc(-c3ccc(C)cc3)c(CO)c2c1=O ZINC000263618854 570955044 /nfs/dbraw/zinc/95/50/44/570955044.db2.gz VUUUZMYEEDPQOE-UHFFFAOYSA-N 0 0 375.428 3.021 50 0 GGAARN COc1ccc(-c2cc3n(n2)[C@@H](NCc2ccc(SC)cc2)CNC3=O)cc1 ZINC000263618616 570955313 /nfs/dbraw/zinc/95/53/13/570955313.db2.gz UQLSEGLZXBNOCI-HXUWFJFHSA-N 0 0 394.500 3.312 50 0 GGAARN CN(C)C(=O)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000194435860 570955256 /nfs/dbraw/zinc/95/52/56/570955256.db2.gz NDJBUCOIZGQZRK-HNNXBMFYSA-N 0 0 384.455 3.176 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(C)c(F)c4)c3CO2)cc1 ZINC000263619629 570955587 /nfs/dbraw/zinc/95/55/87/570955587.db2.gz ZRPPPXXEOGQVFV-GOSISDBHSA-N 0 0 382.395 3.258 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4cccc(Cl)c4)c3CO2)cc1 ZINC000263618279 570955802 /nfs/dbraw/zinc/95/58/02/570955802.db2.gz SAUPVKMCUHAHNO-SFHVURJKSA-N 0 0 398.850 3.142 50 0 GGAARN O=C(COc1ccc(Cl)cc1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000207998741 570957059 /nfs/dbraw/zinc/95/70/59/570957059.db2.gz BATVEWPWENFNGE-QGZVFWFLSA-N 0 0 399.834 3.394 50 0 GGAARN O=C(Cn1nnc2sc(-c3ccccc3)cc2c1=O)Nc1ccccc1F ZINC000001320993 570958299 /nfs/dbraw/zinc/95/82/99/570958299.db2.gz BQQYQOTZZCIZSZ-UHFFFAOYSA-N 0 0 380.404 3.298 50 0 GGAARN COc1ccc2c(c1)c1ncn(CCc3ccc(OC)c(OC)c3)c(=O)c1n2C ZINC000002127926 570958529 /nfs/dbraw/zinc/95/85/29/570958529.db2.gz MOYZRDIHJRDKLG-UHFFFAOYSA-N 0 0 393.443 3.157 50 0 biogenic GGAARN COc1cc2c(cc1OC)-c1cc(Oc3ccc(C(C)=O)cc3)nc(=O)n1CC2 ZINC000002127380 570958543 /nfs/dbraw/zinc/95/85/43/570958543.db2.gz GIIQIOPQYONHOG-UHFFFAOYSA-N 0 0 392.411 3.479 50 0 biogenic GGAARN COc1cccc(CN2CCC[C@@]3(CCN(c4ccccn4)C3)C2=O)c1OC ZINC000019143893 570959121 /nfs/dbraw/zinc/95/91/21/570959121.db2.gz UAFVETCLIYINAI-QFIPXVFZSA-N 0 0 381.476 3.118 50 0 GGAARN O=C(c1cnc2ccccn12)N1CCC(n2cc(-c3ccsc3)nn2)CC1 ZINC000019146824 570959387 /nfs/dbraw/zinc/95/93/87/570959387.db2.gz SZDMKIPRHJRDGU-UHFFFAOYSA-N 0 0 378.461 3.132 50 0 GGAARN CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)Cn2nc3ccccc3n2)C1 ZINC000019148503 570959445 /nfs/dbraw/zinc/95/94/45/570959445.db2.gz SHBCDSQSOLVKSH-OAHLLOKOSA-N 0 0 394.500 3.275 50 0 GGAARN COc1ccc(-c2nn(CN3CCOCC3)c(=S)n2-c2ccccc2)cc1 ZINC000019202549 570959609 /nfs/dbraw/zinc/95/96/09/570959609.db2.gz XYLCQASTXGLNPR-UHFFFAOYSA-N 0 0 382.489 3.369 50 0 GGAARN CC(C)c1nc(CNC(=O)c2ccc(N3CCC[C@@H]3c3ccccn3)nc2)no1 ZINC000019146337 570959615 /nfs/dbraw/zinc/95/96/15/570959615.db2.gz SCVVIWCCARBNPJ-QGZVFWFLSA-N 0 0 392.463 3.255 50 0 GGAARN COc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2c(C)c(-c3ccccc3)nn21 ZINC000032103921 570960536 /nfs/dbraw/zinc/96/05/36/570960536.db2.gz ISQXDICRCZBNQM-INIZCTEOSA-N 0 0 376.416 3.389 50 0 GGAARN O=C(CCCn1nnc2ccccc2c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000032106278 570960755 /nfs/dbraw/zinc/96/07/55/570960755.db2.gz BJGHHIGOENWXEP-UHFFFAOYSA-N 0 0 390.487 3.053 50 0 GGAARN Cc1nn2c(nc(C)cc2NCCCN2CCOCC2)c1-c1ccc(C)cc1 ZINC000019212029 570960915 /nfs/dbraw/zinc/96/09/15/570960915.db2.gz UQUCGOXUFDCSPZ-UHFFFAOYSA-N 0 0 379.508 3.456 50 0 GGAARN CCn1c2ccc(C(=O)OC)cc2s/c1=N/C(=O)c1ccc(N(C)C)cc1 ZINC000012180914 570961596 /nfs/dbraw/zinc/96/15/96/570961596.db2.gz NTDDEDCJUROHIP-QZQOTICOSA-N 0 0 383.473 3.316 50 0 GGAARN CC(C)C(=O)N1CCC(NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)CC1 ZINC000115651341 570962379 /nfs/dbraw/zinc/96/23/79/570962379.db2.gz ZVQWCMKPMNIIRY-UHFFFAOYSA-N 0 0 391.487 3.026 50 0 GGAARN COc1cc([C@H](C)NC(=O)N2CCOC3(CCCC3)C2)cc(OC)c1OC ZINC000268869058 570962861 /nfs/dbraw/zinc/96/28/61/570962861.db2.gz UBTASAYHBVATOR-AWEZNQCLSA-N 0 0 378.469 3.128 50 0 GGAARN O=c1cc(-c2nc([C@]3(c4ccc(F)cc4)CCOC3)no2)c2ccccc2[nH]1 ZINC000019223205 570963179 /nfs/dbraw/zinc/96/31/79/570963179.db2.gz INIFZIIMXDLJRN-OAQYLSRUSA-N 0 0 377.375 3.424 50 0 GGAARN CS(=O)(=O)c1ccc(CN2CCc3[nH]nc(CCc4ccccc4)c3C2)cc1 ZINC000019227037 570963711 /nfs/dbraw/zinc/96/37/11/570963711.db2.gz BDFCQMRLTDXFBN-UHFFFAOYSA-N 0 0 395.528 3.157 50 0 GGAARN COc1ccc(-c2noc(-c3ccc(N(C)Cc4cnn(C)c4)nc3)n2)cc1 ZINC000019227864 570964538 /nfs/dbraw/zinc/96/45/38/570964538.db2.gz YDCLEYBGIJEWFV-UHFFFAOYSA-N 0 0 376.420 3.177 50 0 GGAARN COc1ccc(-c2noc(-c3nn(-c4ccc(C)cc4)ccc3=O)n2)cc1OC ZINC000033300373 570964895 /nfs/dbraw/zinc/96/48/95/570964895.db2.gz ZMYNNABUCIVOPD-UHFFFAOYSA-N 0 0 390.399 3.275 50 0 GGAARN Cc1cccc(-c2nsc3c2ncn(CC(=O)NCc2ccccc2)c3=O)c1 ZINC000033300147 570964963 /nfs/dbraw/zinc/96/49/63/570964963.db2.gz MZHGXCYORNQMSU-UHFFFAOYSA-N 0 0 390.468 3.145 50 0 GGAARN CCN(CC)c1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccc(C)cc1 ZINC000033300650 570965448 /nfs/dbraw/zinc/96/54/48/570965448.db2.gz ZNBQRHYTDIMJMP-UHFFFAOYSA-N 0 0 379.460 3.386 50 0 GGAARN COC(=O)c1ccc2c(c1)nc(N1CCSC1)n(-c1cc(C)cc(C)c1)c2=O ZINC000033300594 570965711 /nfs/dbraw/zinc/96/57/11/570965711.db2.gz XCARLFCVYBPQRJ-UHFFFAOYSA-N 0 0 395.484 3.300 50 0 GGAARN CCCCCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1N ZINC000002508681 570965741 /nfs/dbraw/zinc/96/57/41/570965741.db2.gz HBPQPYVDAMFPQK-UHFFFAOYSA-N 0 0 387.431 3.474 50 0 GGAARN C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@@H](c1ccccc1)N1CCCN12 ZINC000019172295 570966466 /nfs/dbraw/zinc/96/64/66/570966466.db2.gz NBZXIGIGOGGPTK-WAOWUJCRSA-N 0 0 381.863 3.266 50 0 GGAARN O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)NCc1ccccc1 ZINC000004164171 570968579 /nfs/dbraw/zinc/96/85/79/570968579.db2.gz PFODTKYPFMPBIP-UHFFFAOYSA-N 0 0 375.457 3.200 50 0 GGAARN O=C(CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1)NCc1ccco1 ZINC000004164296 570968720 /nfs/dbraw/zinc/96/87/20/570968720.db2.gz XYEBKPXHAUWZTQ-UHFFFAOYSA-N 0 0 399.863 3.446 50 0 GGAARN O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)N1CCCCCC1 ZINC000004164351 570968756 /nfs/dbraw/zinc/96/87/56/570968756.db2.gz KXXBRUAKABZLJP-UHFFFAOYSA-N 0 0 385.468 3.425 50 0 GGAARN COc1ccc([C@H](O)CNC(=O)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000211087799 570968969 /nfs/dbraw/zinc/96/89/69/570968969.db2.gz BICCMGZXNXLFPH-CQSZACIVSA-N 0 0 385.338 3.066 50 0 GGAARN CCOc1ccccc1C(=O)N(c1ccc(OC)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000004165501 570968996 /nfs/dbraw/zinc/96/89/96/570968996.db2.gz RNBJJNWGALCOBK-INIZCTEOSA-N 0 0 387.457 3.051 50 0 GGAARN COc1ccc([C@@H](O)CNC(=O)c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000211087843 570969066 /nfs/dbraw/zinc/96/90/66/570969066.db2.gz BICCMGZXNXLFPH-AWEZNQCLSA-N 0 0 385.338 3.066 50 0 GGAARN CCOC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000011330454 570969071 /nfs/dbraw/zinc/96/90/71/570969071.db2.gz YOEKVVLGJWXEMI-UHFFFAOYSA-N 0 0 389.477 3.109 50 0 GGAARN CCOc1ccc(N(C(=O)Cc2cccc(C)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000004165346 570969105 /nfs/dbraw/zinc/96/91/05/570969105.db2.gz AYIKJBOKRKXDHU-LJQANCHMSA-N 0 0 385.485 3.280 50 0 GGAARN O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)Nc1ccccc1F ZINC000004165897 570969363 /nfs/dbraw/zinc/96/93/63/570969363.db2.gz IQJPDRSMBXMHKR-UHFFFAOYSA-N 0 0 397.797 3.013 50 0 GGAARN Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1 ZINC000004165885 570969380 /nfs/dbraw/zinc/96/93/80/570969380.db2.gz LFSYNWBHQAFNIY-UHFFFAOYSA-N 0 0 393.834 3.183 50 0 GGAARN CCCCc1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1 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COc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000015353168 570971235 /nfs/dbraw/zinc/97/12/35/570971235.db2.gz QQJVLXSYDRSVML-UHFFFAOYSA-N 0 0 392.452 3.261 50 0 GGAARN O=C(NCc1cc(-c2cccs2)on1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000012725378 570972447 /nfs/dbraw/zinc/97/24/47/570972447.db2.gz HWJCXOJEPSDLRB-LBPRGKRZSA-N 0 0 385.420 3.212 50 0 GGAARN O=C(Nc1cccc(F)c1)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000012229866 570972501 /nfs/dbraw/zinc/97/25/01/570972501.db2.gz NPONZUJWESMMSL-KRWDZBQOSA-N 0 0 399.447 3.301 50 0 GGAARN COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccco2)cc1 ZINC000002154884 570973588 /nfs/dbraw/zinc/97/35/88/570973588.db2.gz VHXFHGSCIYIYMT-MDNUFGMLSA-N 0 0 398.503 3.273 50 0 GGAARN COc1ccc(CNc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 ZINC000002157255 570974034 /nfs/dbraw/zinc/97/40/34/570974034.db2.gz ZCPKUNNIYNVPLZ-UHFFFAOYSA-N 0 0 393.443 3.104 50 0 biogenic GGAARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2c[nH]c(-c3ccccc3)c2)cc1 ZINC000085221644 570975266 /nfs/dbraw/zinc/97/52/66/570975266.db2.gz UWXXUDGPFRNIMZ-HNNXBMFYSA-N 0 0 383.473 3.296 50 0 GGAARN O=c1sc2ccccc2c2c1nc(CN1CCOCC1)n2-c1ccccc1 ZINC000085385454 570975366 /nfs/dbraw/zinc/97/53/66/570975366.db2.gz NKQTWKPQAGGXNL-UHFFFAOYSA-N 0 0 377.469 3.433 50 0 GGAARN COc1ccccc1OC1CCN(C(=O)CN2CCCCCCCC2=O)CC1 ZINC000019334273 570975901 /nfs/dbraw/zinc/97/59/01/570975901.db2.gz IVYFZCPCOIOARL-UHFFFAOYSA-N 0 0 388.508 3.248 50 0 GGAARN Cc1nc(Cn2ccc(-c3cccc(-c4ncc(C)c(N(C)C)n4)c3)n2)no1 ZINC000019335974 570975964 /nfs/dbraw/zinc/97/59/64/570975964.db2.gz FSXMNMFVFOLLFG-UHFFFAOYSA-N 0 0 375.436 3.121 50 0 GGAARN COc1ccc(F)c(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c1 ZINC000019335892 570976093 /nfs/dbraw/zinc/97/60/93/570976093.db2.gz PNFTUSFSDUVSMT-IBGZPJMESA-N 0 0 376.447 3.042 50 0 GGAARN Cc1nccc(OC2CCN(S(=O)(=O)c3cccc4ccccc43)CC2)n1 ZINC000585147033 570977142 /nfs/dbraw/zinc/97/71/42/570977142.db2.gz TXTKIBRKXGULCY-UHFFFAOYSA-N 0 0 383.473 3.170 50 0 GGAARN Cc1nccc(O[C@@H]2CCN(C(=O)CSc3nc4ccccc4s3)C2)n1 ZINC000585147064 570977202 /nfs/dbraw/zinc/97/72/02/570977202.db2.gz BTHVQRYBNNXJFD-CYBMUJFWSA-N 0 0 386.502 3.167 50 0 GGAARN Cc1nccc(OC2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)n1 ZINC000585147050 570977228 /nfs/dbraw/zinc/97/72/28/570977228.db2.gz XDQNXMNAICSLJB-UHFFFAOYSA-N 0 0 381.354 3.367 50 0 GGAARN COc1ccc2cc(C(=O)N3CCC[C@@H](Oc4nc(C)cc(C)n4)C3)[nH]c2c1 ZINC000585147297 570977952 /nfs/dbraw/zinc/97/79/52/570977952.db2.gz QFHJCVLRVITAMP-QGZVFWFLSA-N 0 0 380.448 3.267 50 0 GGAARN C[C@H]1CN(C(=O)c2cccn(Cc3c(Cl)cccc3Cl)c2=O)C[C@H](C)O1 ZINC000001391150 570978126 /nfs/dbraw/zinc/97/81/26/570978126.db2.gz WFDPBCMPEZAQQY-STQMWFEESA-N 0 0 395.286 3.453 50 0 GGAARN C[C@@](O)(CS(=O)(=O)C1CCCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000001391966 570978173 /nfs/dbraw/zinc/97/81/73/570978173.db2.gz SQUYFVCQMAWTJM-MRXNPFEDSA-N 0 0 393.427 3.142 50 0 GGAARN COC(=O)c1ccc(S(=O)(=O)NC[C@H](c2ccco2)c2cccs2)cc1 ZINC000585147677 570978278 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COc1ccccc1S(=O)(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 ZINC000585148102 570981256 /nfs/dbraw/zinc/98/12/56/570981256.db2.gz JBTGMJGFHDLRPO-QGZVFWFLSA-N 0 0 389.498 3.436 50 0 GGAARN CN(C)C=C(C(=O)Nc1ccc(F)cc1F)C(=O)Nc1ccc(F)cc1F ZINC000001400404 570981469 /nfs/dbraw/zinc/98/14/69/570981469.db2.gz XWIROOQODBEMPG-UHFFFAOYSA-N 0 0 381.329 3.266 50 0 GGAARN Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)c1 ZINC000016621943 570982479 /nfs/dbraw/zinc/98/24/79/570982479.db2.gz DFGAEYUFKZPEOG-UHFFFAOYSA-N 0 0 390.480 3.482 50 0 GGAARN COc1cc2c(cc1OC)-c1cc(Oc3ccc4c(c3)OCO4)nc(=O)n1CC2 ZINC000002160949 570982511 /nfs/dbraw/zinc/98/25/11/570982511.db2.gz SSXFJFZFZAHJMG-UHFFFAOYSA-N 0 0 394.383 3.005 50 0 biogenic GGAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2cnsn2)CC1 ZINC000585149061 570982727 /nfs/dbraw/zinc/98/27/27/570982727.db2.gz YZHDFHVZMJIUHA-UHFFFAOYSA-N 0 0 378.501 3.409 50 0 GGAARN COCc1cn([C@H]2CCN(C(=O)C3c4ccccc4Oc4ccccc43)C2)nn1 ZINC000585149706 570983216 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COc1c(C)cc(S(=O)(=O)NCC2(c3cccs3)CCOCC2)cc1C ZINC000023238657 570991436 /nfs/dbraw/zinc/99/14/36/570991436.db2.gz XKNMARHGZCBHNT-UHFFFAOYSA-N 0 0 395.546 3.400 50 0 GGAARN Cc1ccc(OCc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2C)cc1 ZINC000098086373 570991534 /nfs/dbraw/zinc/99/15/34/570991534.db2.gz CBFSUFKJCPTOCY-UHFFFAOYSA-N 0 0 393.472 3.231 50 0 GGAARN CCc1nnn(-c2ccc(NC(=O)CSc3nc4cc(C)ccc4[nH]3)cc2)n1 ZINC000098087237 570992040 /nfs/dbraw/zinc/99/20/40/570992040.db2.gz PWYQTHUHGDULAK-UHFFFAOYSA-N 0 0 393.476 3.140 50 0 GGAARN CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCc4ccccc4C3)ccc2c1=O ZINC000004791256 570992965 /nfs/dbraw/zinc/99/29/65/570992965.db2.gz SCYUCGYYDFBHMH-UHFFFAOYSA-N 0 0 391.471 3.079 50 0 GGAARN COc1ccc(-c2nnc3n2N=C(c2ccc4c(c2)OCCO4)CS3)cc1 ZINC000001417184 570993930 /nfs/dbraw/zinc/99/39/30/570993930.db2.gz OBSKKWUXRIAXMY-UHFFFAOYSA-N 0 0 380.429 3.083 50 0 GGAARN CCc1ccc(-c2ccc(Nc3ccc(F)cc3F)nn2)cc1S(N)(=O)=O ZINC000016651074 570994320 /nfs/dbraw/zinc/99/43/20/570994320.db2.gz 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ZINC000019549410 571000260 /nfs/dbraw/zinc/00/02/60/571000260.db2.gz JAXFBPXZQQDZIL-UHFFFAOYSA-N 0 0 390.867 3.021 50 0 GGAARN CCOC(=O)Cn1nc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1C ZINC000001426759 571000703 /nfs/dbraw/zinc/00/07/03/571000703.db2.gz DPUJOESNIUONHM-CQSZACIVSA-N 0 0 393.871 3.431 50 0 GGAARN CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2ccccc2)o1 ZINC000002202291 571001015 /nfs/dbraw/zinc/00/10/15/571001015.db2.gz ZAMRXCYIOYECNP-AWEZNQCLSA-N 0 0 395.481 3.265 50 0 GGAARN O=C(NC1CCCCC1)N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 ZINC000091254725 571001148 /nfs/dbraw/zinc/00/11/48/571001148.db2.gz NKMURCZWLVDMKM-UHFFFAOYSA-N 0 0 398.551 3.371 50 0 GGAARN COc1cc(OC)c([C@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cc1OC ZINC000001427668 571001737 /nfs/dbraw/zinc/00/17/37/571001737.db2.gz QQXDWOWOYIGOCI-CYBMUJFWSA-N 0 0 382.368 3.260 50 0 biogenic GGAARN Cc1nn(C)c(C)c1CN(CCO)C(=O)Cc1c(C)[nH]c2c1cc(C)cc2C ZINC000091289589 571002126 /nfs/dbraw/zinc/00/21/26/571002126.db2.gz HSFMIFCSYGNTNY-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/30/55/56/1398305556.db2.gz UJOANHCFUDWMBY-AQTBWJFISA-N 0 0 393.468 3.163 50 0 GGAARN COc1ccc2[nH]c3c(ncnc3N3CCN(c4ccccc4OC)CC3)c2c1 ZINC000002262461 1398305857 /nfs/dbraw/zinc/30/58/57/1398305857.db2.gz MHWQDGFAJSUSOU-UHFFFAOYSA-N 0 0 389.459 3.455 50 0 GGAARN CCCNC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002264390 1398305947 /nfs/dbraw/zinc/30/59/47/1398305947.db2.gz ZGZPUBJSOZTZBS-UHFFFAOYSA-N 0 0 389.459 3.363 50 0 GGAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(C)cc3)N2C1=O ZINC000002247732 1398305994 /nfs/dbraw/zinc/30/59/94/1398305994.db2.gz GFEKAFCMJAZEKG-NVXWUHKLSA-N 0 0 388.489 3.223 50 0 GGAARN COc1ccc(Cn2c(N)c(C(=O)NC3CC3)c3nc4ccccc4nc32)cc1 ZINC000002276344 1398306273 /nfs/dbraw/zinc/30/62/73/1398306273.db2.gz GXCUWEJHHWNCAQ-UHFFFAOYSA-N 0 0 387.443 3.116 50 0 GGAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)cc1 ZINC000002264648 1398306352 /nfs/dbraw/zinc/30/63/52/1398306352.db2.gz YBZYXGUTLVXHJN-UHFFFAOYSA-N 0 0 382.493 3.127 50 0 GGAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCCC(C)(C)C1 ZINC000002286079 1398306419 /nfs/dbraw/zinc/30/64/19/1398306419.db2.gz JPCMGGNGXLUABG-UHFFFAOYSA-N 0 0 387.480 3.414 50 0 GGAARN CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC)cc1OC ZINC000002286605 1398306574 /nfs/dbraw/zinc/30/65/74/1398306574.db2.gz SVENWYCRZWJQEC-LJQANCHMSA-N 0 0 382.416 3.032 50 0 GGAARN COC(CNc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3)OC ZINC000002332873 1398307114 /nfs/dbraw/zinc/30/71/14/1398307114.db2.gz IPLIQOHUGTXLIC-UHFFFAOYSA-N 0 0 388.493 3.430 50 0 GGAARN COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cccc(OC)c1 ZINC000002319536 1398307667 /nfs/dbraw/zinc/30/76/67/1398307667.db2.gz UTDXHEHIDDGBFV-UHFFFAOYSA-N 0 0 384.388 3.233 50 0 GGAARN Clc1ccc(Cc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1 ZINC000002353472 1398307792 /nfs/dbraw/zinc/30/77/92/1398307792.db2.gz AICXERJZAYCHGW-UHFFFAOYSA-N 0 0 381.852 3.223 50 0 GGAARN COCCN1CCn2c3ccc(Nc4nnc(C)c5ccccc54)cc3nc2C1 ZINC000002342926 1398307845 /nfs/dbraw/zinc/30/78/45/1398307845.db2.gz 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C[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1ccc2c(c1)CCCC2 ZINC000002340250 1398308251 /nfs/dbraw/zinc/30/82/51/1398308251.db2.gz XZCJUJOSGUWIEO-HUUCEWRRSA-N 0 0 376.456 3.427 50 0 GGAARN COc1ccc([C@H]2Cc3c(cnn3-c3nc(C)cc(C)n3)C(=O)C2)cc1OC ZINC000002348117 1398308489 /nfs/dbraw/zinc/30/84/89/1398308489.db2.gz RUJNELIRGDAWHH-HNNXBMFYSA-N 0 0 378.432 3.209 50 0 GGAARN CCCNC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000002369733 1398308625 /nfs/dbraw/zinc/30/86/25/1398308625.db2.gz BKEVTIJZJXQLAR-UHFFFAOYSA-N 0 0 377.423 3.494 50 0 GGAARN COCC(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2 ZINC000002377318 1398308676 /nfs/dbraw/zinc/30/86/76/1398308676.db2.gz VLWBKEUYUIJYOK-SJORKVTESA-N 0 0 381.411 3.148 50 0 GGAARN CCCNS(=O)(=O)c1ccc(C)c(-c2nnc3c4ccccc4c(C)nn23)c1 ZINC000002368711 1398308808 /nfs/dbraw/zinc/30/88/08/1398308808.db2.gz JZEPNKOZJQNXRS-UHFFFAOYSA-N 0 0 395.488 3.250 50 0 GGAARN CCCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 ZINC000002367424 1398308878 /nfs/dbraw/zinc/30/88/78/1398308878.db2.gz GHVYVICBHNPNTD-PDOICOKGSA-N 0 0 393.842 3.499 50 0 GGAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)cc1 ZINC000002375508 1398309228 /nfs/dbraw/zinc/30/92/28/1398309228.db2.gz TVXLCMNWWAKVEM-UHFFFAOYSA-N 0 0 382.493 3.127 50 0 GGAARN Cc1ccc(N2C(=O)N[C@](NC(=O)c3ccccc3F)(C(F)(F)F)C2=O)cc1 ZINC000002387795 1398309407 /nfs/dbraw/zinc/30/94/07/1398309407.db2.gz LFLNRZTVBUWJEV-KRWDZBQOSA-N 0 0 395.312 3.083 50 0 GGAARN CCOc1ccccc1Oc1coc2cc(OS(C)(=O)=O)ccc2c1=O ZINC000002400184 1398309986 /nfs/dbraw/zinc/30/99/86/1398309986.db2.gz JXQIQSLZUMNAPP-UHFFFAOYSA-N 0 0 376.386 3.322 50 0 biogenic GGAARN COc1cccc(OCc2nc3c4cnn(Cc5ccccc5)c4ncn3n2)c1 ZINC000002411711 1398310135 /nfs/dbraw/zinc/31/01/35/1398310135.db2.gz PYIXGQJPPASJEM-UHFFFAOYSA-N 0 0 386.415 3.110 50 0 GGAARN COc1ccc(-c2nc3c4cnn(Cc5ccccc5)c4ncn3n2)c(OC)c1 ZINC000002421323 1398310151 /nfs/dbraw/zinc/31/01/51/1398310151.db2.gz JEGRRAMMVQKWCR-UHFFFAOYSA-N 0 0 386.415 3.207 50 0 GGAARN CCSc1nc2sc3c(c2c(NCCOCCO)n1)C[C@@](C)(CC)OC3 ZINC000002422479 1398310183 /nfs/dbraw/zinc/31/01/83/1398310183.db2.gz ZTFDEJRBYWUUEO-GOSISDBHSA-N 0 0 397.566 3.466 50 0 GGAARN COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCO)c1 ZINC000002416121 1398310316 /nfs/dbraw/zinc/31/03/16/1398310316.db2.gz PYUCLHAOTAMQGZ-IBGZPJMESA-N 0 0 379.412 3.038 50 0 GGAARN COc1cc(OC)cc(-c2nc3c4cnn(Cc5ccccc5)c4ncn3n2)c1 ZINC000002419014 1398310588 /nfs/dbraw/zinc/31/05/88/1398310588.db2.gz PMOVGZAPNWJUMV-UHFFFAOYSA-N 0 0 386.415 3.207 50 0 GGAARN COc1ccc(CCC2(CCc3ccncc3)C(=O)NC(=S)NC2=O)cc1 ZINC000002422219 1398310734 /nfs/dbraw/zinc/31/07/34/1398310734.db2.gz AERZDZFSLKKPFV-UHFFFAOYSA-N 0 0 383.473 3.013 50 0 GGAARN O=C1CCC(=O)N1c1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 ZINC000002414646 1398310790 /nfs/dbraw/zinc/31/07/90/1398310790.db2.gz YFZGGTTWRIHTSZ-DLBZAZTESA-N 0 0 391.406 3.217 50 0 GGAARN CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@H]1c1cccc(OC)c1 ZINC000002431410 1398310970 /nfs/dbraw/zinc/31/09/70/1398310970.db2.gz QGVYVVVBUDLWEC-IBGZPJMESA-N 0 0 376.416 3.276 50 0 GGAARN C[C@@H]1CCc2sc3nc(N(CCO)Cc4ccccc4)n4ncnc4c3c2C1 ZINC000002448915 1398311218 /nfs/dbraw/zinc/31/12/18/1398311218.db2.gz IJHIDEHFLKIOMN-CQSZACIVSA-N 0 0 393.516 3.463 50 0 GGAARN Cn1nc(-c2ccc(OCC(=O)NC3CCCCC3)cc2)c2ccccc2c1=O ZINC000002426100 1398311255 /nfs/dbraw/zinc/31/12/55/1398311255.db2.gz FDZAJPZNCROISU-UHFFFAOYSA-N 0 0 391.471 3.428 50 0 GGAARN O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(=O)N2)c1ccc(F)cc1 ZINC000002433781 1398311292 /nfs/dbraw/zinc/31/12/92/1398311292.db2.gz RKCPXFYRFYSCOB-AWEZNQCLSA-N 0 0 385.786 3.255 50 0 GGAARN CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCO)c1 ZINC000002426852 1398311377 /nfs/dbraw/zinc/31/13/77/1398311377.db2.gz ZWSNVOZUUXPJKB-IBGZPJMESA-N 0 0 379.412 3.119 50 0 GGAARN CCCCN1C(=O)N[C@](NC(=O)CCC2CCCCC2)(C(F)(F)F)C1=O ZINC000002492449 1398312305 /nfs/dbraw/zinc/31/23/05/1398312305.db2.gz PHXPDFILKLMAGH-INIZCTEOSA-N 0 0 377.407 3.074 50 0 GGAARN O=C(CN1C(=O)N/C(=C\c2ccccc2)C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000002551694 1398312955 /nfs/dbraw/zinc/31/29/55/1398312955.db2.gz QYXYGQVHVAMVOM-DHDCSXOGSA-N 0 0 389.333 3.237 50 0 GGAARN CCOC(=O)[C@](Cl)(NC(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000002565126 1398313047 /nfs/dbraw/zinc/31/30/47/1398313047.db2.gz BPKQIAFJHQFQMS-NSHDSACASA-N 0 0 377.668 3.496 50 0 GGAARN COc1ccc(CNC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1OC ZINC000002743778 1398317673 /nfs/dbraw/zinc/31/76/73/1398317673.db2.gz YHLWQPWRJTXTRE-UHFFFAOYSA-N 0 0 383.370 3.113 50 0 GGAARN Cc1nn(C)c(C)c1CNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000002733634 1398318006 /nfs/dbraw/zinc/31/80/06/1398318006.db2.gz WFIWFBXVODQJBA-UHFFFAOYSA-N 0 0 379.342 3.036 50 0 GGAARN COc1cccc(-n2ccnc2SCC(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000002723157 1398318221 /nfs/dbraw/zinc/31/82/21/1398318221.db2.gz RVSUSEIDUBFNEJ-UHFFFAOYSA-N 0 0 397.456 3.018 50 0 GGAARN O=C(Cn1nnc(-c2ccccc2)n1)Nc1nc(-c2ccc(F)cc2F)cs1 ZINC000002787174 1398318720 /nfs/dbraw/zinc/31/87/20/1398318720.db2.gz DGVDSPJNHDGELY-UHFFFAOYSA-N 0 0 398.398 3.381 50 0 GGAARN COc1cccc(OCc2cccc(-c3nc4c5cnn(C)c5ncn4n3)c2)c1 ZINC000002802783 1398319654 /nfs/dbraw/zinc/31/96/54/1398319654.db2.gz RSIULSLXYVNQBJ-UHFFFAOYSA-N 0 0 386.415 3.266 50 0 GGAARN C[C@@H](C1N=NC(=S)N1c1cnn(Cc2ccccc2)c1)n1cc(Cl)cn1 ZINC000002808718 1398320525 /nfs/dbraw/zinc/32/05/25/1398320525.db2.gz OGYJFMAQILLTNG-LBPRGKRZSA-N 0 0 385.884 3.260 50 0 GGAARN CCn1nccc1[C@H](C)NC(=O)CCS(=O)(=O)c1ccc2ccccc2c1 ZINC000002809630 1398320691 /nfs/dbraw/zinc/32/06/91/1398320691.db2.gz GPXYGJUEHGGEOH-HNNXBMFYSA-N 0 0 385.489 3.097 50 0 GGAARN CCn1ncc(-c2ccnc(SCC(=O)Nc3ccccc3OC)n2)c1C ZINC000002809221 1398320742 /nfs/dbraw/zinc/32/07/42/1398320742.db2.gz OZHOVOHWCFZVED-UHFFFAOYSA-N 0 0 383.477 3.408 50 0 GGAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)N1CCCC1 ZINC000003059233 1398326275 /nfs/dbraw/zinc/32/62/75/1398326275.db2.gz QRPCYYFPSRBWGN-UHFFFAOYSA-N 0 0 385.514 3.221 50 0 GGAARN COc1ccccc1CN1C(=O)N(C(C)C)[C@@H](N(O)C(=O)NC(C)C)C1(C)C ZINC000003985299 1398376244 /nfs/dbraw/zinc/37/62/44/1398376244.db2.gz AXPIMUVUCVGOMR-KRWDZBQOSA-N 0 0 392.500 3.255 50 0 biogenic GGAARN COc1ccc(CNC(=O)O[C@H]2CCN3Cc4ccccc4N=C23)cc1OC ZINC000004028841 1398377002 /nfs/dbraw/zinc/37/70/02/1398377002.db2.gz QKCPNTDWGNGXQL-SFHVURJKSA-N 0 0 381.432 3.248 50 0 biogenic GGAARN COc1ccc(CC(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000004032918 1398377084 /nfs/dbraw/zinc/37/70/84/1398377084.db2.gz REJJQVANBBUYEV-UHFFFAOYSA-N 0 0 394.471 3.064 50 0 GGAARN Cc1cc(C)cc(C(=O)NCCn2cc(SCC(N)=O)c3ccccc32)c1 ZINC000004060999 1398377439 /nfs/dbraw/zinc/37/74/39/1398377439.db2.gz KKDJTNKIZOYIJJ-UHFFFAOYSA-N 0 0 381.501 3.266 50 0 GGAARN CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3ccc(C)cc3)C2)c1 ZINC000004036295 1398377581 /nfs/dbraw/zinc/37/75/81/1398377581.db2.gz KVBAUONMSULRQU-FQEVSTJZSA-N 0 0 385.489 3.454 50 0 GGAARN COc1ccc(CNC(=O)[C@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)cc1 ZINC000004073979 1398378199 /nfs/dbraw/zinc/37/81/99/1398378199.db2.gz OGPJKRZSBLAOEW-XLIONFOSSA-N 0 0 382.485 3.360 50 0 biogenic GGAARN COc1ccc(CNC(=O)[C@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)cc1 ZINC000004073980 1398378386 /nfs/dbraw/zinc/37/83/86/1398378386.db2.gz OGPJKRZSBLAOEW-YLJYHZDGSA-N 0 0 382.485 3.360 50 0 biogenic GGAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)N[C@@H](C)c3ccccc3)CS[C@@H]21 ZINC000004081265 1398378430 /nfs/dbraw/zinc/37/84/30/1398378430.db2.gz AZLMHLJKTYSGDV-QOKQMOMRSA-N 0 0 398.484 3.151 50 0 biogenic GGAARN CN1CC(=O)N2C[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004074081 1398378673 /nfs/dbraw/zinc/37/86/73/1398378673.db2.gz ACHLBUGZAPTWBJ-QRQCRPRQSA-N 0 0 393.874 3.483 50 0 biogenic GGAARN COc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccco3)s2)cc1 ZINC000004077875 1398378727 /nfs/dbraw/zinc/37/87/27/1398378727.db2.gz UFILOGBLEQYEJF-UHFFFAOYSA-N 0 0 390.446 3.123 50 0 GGAARN CCSc1nnc(CNC(=O)c2ccc(OC)cc2)n1Cc1ccccc1 ZINC000004087383 1398379176 /nfs/dbraw/zinc/37/91/76/1398379176.db2.gz SKNOUZWQCHPNTL-UHFFFAOYSA-N 0 0 382.489 3.377 50 0 GGAARN CCc1ccc([C@H]2CN3C(=O)CN(C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 ZINC000004083643 1398379257 /nfs/dbraw/zinc/37/92/57/1398379257.db2.gz SHILCYCHILJWKF-KOSHJBKYSA-N 0 0 387.483 3.392 50 0 biogenic GGAARN Cc1c(O[C@H](C)C(=O)NCCCO)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000004085112 1398379378 /nfs/dbraw/zinc/37/93/78/1398379378.db2.gz ZTQFRBGLPKVIOB-OAHLLOKOSA-N 0 0 381.428 3.034 50 0 biogenic GGAARN COC(=O)[C@@H](C)Oc1ccc2cc(-c3cc(OC)ccc3OC)c(=O)oc2c1 ZINC000004085680 1398379405 /nfs/dbraw/zinc/37/94/05/1398379405.db2.gz AFUITQINLPYCCU-GFCCVEGCSA-N 0 0 384.384 3.418 50 0 biogenic GGAARN COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)NC4CC4)ccc23)cc1 ZINC000004085392 1398379563 /nfs/dbraw/zinc/37/95/63/1398379563.db2.gz CMZXOAVMDGMBKC-UHFFFAOYSA-N 0 0 379.412 3.434 50 0 biogenic GGAARN COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1cccc(C(C)=O)c1)CC2 ZINC000004090340 1398380024 /nfs/dbraw/zinc/38/00/24/1398380024.db2.gz IABIQIIFCBYRRU-CQSZACIVSA-N 0 0 382.460 3.464 50 0 biogenic GGAARN CC1(C)CCc2c(cc(OCC(=O)NC3CC3)c3c4c(c(=O)oc23)CCCC4)O1 ZINC000004089285 1398380278 /nfs/dbraw/zinc/38/02/78/1398380278.db2.gz WAXMTQWXLLKXJP-UHFFFAOYSA-N 0 0 397.471 3.433 50 0 biogenic GGAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1c(F)cccc1F)C[S@](=O)C2 ZINC000004106194 1398380716 /nfs/dbraw/zinc/38/07/16/1398380716.db2.gz CCLPEKUZRWAZPP-HHHXNRCGSA-N 0 0 387.411 3.474 50 0 GGAARN COc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2 ZINC000004106106 1398380986 /nfs/dbraw/zinc/38/09/86/1398380986.db2.gz LBMWNPZQIUNUNO-HHHXNRCGSA-N 0 0 385.420 3.035 50 0 GGAARN CCOC(=O)C[C@@H](NC(=O)C(=O)c1c[nH]c2ccccc12)c1ccc(C)cc1 ZINC000004163314 1398381274 /nfs/dbraw/zinc/38/12/74/1398381274.db2.gz QISDLHMLIXGYKE-LJQANCHMSA-N 0 0 378.428 3.470 50 0 GGAARN Cc1csc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C)n1 ZINC000004138439 1398381599 /nfs/dbraw/zinc/38/15/99/1398381599.db2.gz PVZPFPYILQVJFB-UHFFFAOYSA-N 0 0 384.490 3.459 50 0 GGAARN COC(=O)c1ccc(CSc2ccc3nnc(-c4ccc(OC)cc4)n3n2)o1 ZINC000004164994 1398381620 /nfs/dbraw/zinc/38/16/20/1398381620.db2.gz ZJEZPISRXJFJMP-UHFFFAOYSA-N 0 0 396.428 3.472 50 0 GGAARN O=C(C[C@@H]([NH2+]Cc1ccccn1)C(=O)[O-])Nc1ccc(Oc2ccccc2)cc1 ZINC000004189768 1398382232 /nfs/dbraw/zinc/38/22/32/1398382232.db2.gz GWPPMINUEMZESR-HXUWFJFHSA-N 0 0 391.427 3.446 50 0 GGAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CS(=O)(=O)C3)cc1C ZINC000004224391 1398383706 /nfs/dbraw/zinc/38/37/06/1398383706.db2.gz NDSVBCOTTAVESZ-UHFFFAOYSA-N 0 0 387.486 3.231 50 0 GGAARN Cc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)cc1C ZINC000004224353 1398383740 /nfs/dbraw/zinc/38/37/40/1398383740.db2.gz LYLUWHHKPVMYED-UHFFFAOYSA-N 0 0 381.457 3.170 50 0 GGAARN CC[C@H](C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)c1ccccc1 ZINC000004224364 1398384120 /nfs/dbraw/zinc/38/41/20/1398384120.db2.gz QUZJMSQCORYDBN-KRWDZBQOSA-N 0 0 395.484 3.433 50 0 GGAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(F)c2)CS(=O)(=O)C3)cc1C ZINC000004224399 1398384197 /nfs/dbraw/zinc/38/41/97/1398384197.db2.gz TTXIRPFIXACLDT-UHFFFAOYSA-N 0 0 399.447 3.309 50 0 GGAARN Cn1ccnc1SCc1cc(=O)c(OC(=O)c2c(F)cccc2F)co1 ZINC000004251348 1398386602 /nfs/dbraw/zinc/38/66/02/1398386602.db2.gz GMZZECVWXITELL-UHFFFAOYSA-N 0 0 378.356 3.163 50 0 GGAARN CCOc1cc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc(OCC)c1OCC ZINC000004263887 1398387146 /nfs/dbraw/zinc/38/71/46/1398387146.db2.gz RAMRXITWEYJNIT-UHFFFAOYSA-N 0 0 398.415 3.019 50 0 GGAARN O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1nc2ccccc2s1 ZINC000004264341 1398387169 /nfs/dbraw/zinc/38/71/69/1398387169.db2.gz KPHRRXOSKJWWQB-UHFFFAOYSA-N 0 0 380.385 3.370 50 0 GGAARN O=c1c2nnn(-c3ccc(F)cc3)c2ncn1Cc1ccc(C(F)(F)F)cc1 ZINC000004266800 1398387226 /nfs/dbraw/zinc/38/72/26/1398387226.db2.gz GEBKBAMVOYRNEO-UHFFFAOYSA-N 0 0 389.312 3.183 50 0 GGAARN COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccccc1OCc1ccccc1 ZINC000004263247 1398387578 /nfs/dbraw/zinc/38/75/78/1398387578.db2.gz KRKXVFQLRBFISR-LJQANCHMSA-N 0 0 376.416 3.319 50 0 GGAARN O=c1c2nnn(-c3cccc(Cl)c3)c2ncn1Cc1c(F)cccc1Cl ZINC000004266833 1398387613 /nfs/dbraw/zinc/38/76/13/1398387613.db2.gz RFCYKLLATBPQBE-UHFFFAOYSA-N 0 0 390.205 3.471 50 0 GGAARN COc1cccc(-n2nnc3c2ncnc3SCC(=O)c2ccccc2)c1 ZINC000004274045 1398388232 /nfs/dbraw/zinc/38/82/32/1398388232.db2.gz OEOJFTQWSZOMIB-UHFFFAOYSA-N 0 0 377.429 3.194 50 0 GGAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000004276144 1398388777 /nfs/dbraw/zinc/38/87/77/1398388777.db2.gz UTZPYYQOHPPOOO-UHFFFAOYSA-N 0 0 396.790 3.296 50 0 GGAARN CCOC(=O)N1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)OC)C1 ZINC000004280333 1398388840 /nfs/dbraw/zinc/38/88/40/1398388840.db2.gz TUGBZPXZZSQIQI-UHFFFAOYSA-N 0 0 394.474 3.363 50 0 GGAARN COc1cc(OC)cc(-c2nnc(NC(=O)COc3ccc(Cl)cc3)o2)c1 ZINC000004276126 1398388975 /nfs/dbraw/zinc/38/89/75/1398388975.db2.gz TUXMSAFQQWINCG-UHFFFAOYSA-N 0 0 389.795 3.425 50 0 GGAARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(N2C(=O)CCC2=O)c1 ZINC000004276148 1398389040 /nfs/dbraw/zinc/38/90/40/1398389040.db2.gz RJERRVYUGZRAHH-UHFFFAOYSA-N 0 0 396.790 3.296 50 0 GGAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(C)c1)CN(C(C)=O)CC2 ZINC000004275156 1398389079 /nfs/dbraw/zinc/38/90/79/1398389079.db2.gz WIIBTEZEXWFYAY-UHFFFAOYSA-N 0 0 386.473 3.308 50 0 GGAARN COc1ccc(-c2c[nH]c(SCCNC(=O)COc3ccccc3)n2)cc1 ZINC000004315492 1398391554 /nfs/dbraw/zinc/39/15/54/1398391554.db2.gz ASAVJRMZZDDMKQ-UHFFFAOYSA-N 0 0 383.473 3.373 50 0 GGAARN COc1ccc(NC(=O)CN2CCC(c3nc4ccccc4[nH]3)CC2)cc1OC ZINC000004315099 1398391671 /nfs/dbraw/zinc/39/16/71/1398391671.db2.gz HAVZIMNUIAZRIZ-UHFFFAOYSA-N 0 0 394.475 3.398 50 0 GGAARN COc1ccc(-c2c[nH]c(SCCNC(=O)c3ccc4c(c3)OCO4)n2)cc1 ZINC000004315496 1398391725 /nfs/dbraw/zinc/39/17/25/1398391725.db2.gz ILWZCNSYHOWHBA-UHFFFAOYSA-N 0 0 397.456 3.336 50 0 GGAARN COc1ccc(OC)c(NC(=O)CN2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000004315098 1398391944 /nfs/dbraw/zinc/39/19/44/1398391944.db2.gz UDHVQVKVVDBQBZ-UHFFFAOYSA-N 0 0 394.475 3.398 50 0 GGAARN O=C(NCCSc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1cccc(F)c1 ZINC000004315872 1398392232 /nfs/dbraw/zinc/39/22/32/1398392232.db2.gz IFYQEDXBDDNHNP-UHFFFAOYSA-N 0 0 384.436 3.063 50 0 GGAARN COC(=O)c1cc(NC(=O)c2cc3ccccc3cc2O)cc(C(=O)OC)c1 ZINC000004991271 1398409495 /nfs/dbraw/zinc/40/94/95/1398409495.db2.gz UAUKKMFMRIRWIU-UHFFFAOYSA-N 0 0 379.368 3.371 50 0 GGAARN COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CC2)cc1 ZINC000007859822 1398760148 /nfs/dbraw/zinc/76/01/48/1398760148.db2.gz KXZRCNUXACGNEN-UHFFFAOYSA-N 0 0 381.457 3.471 50 0 GGAARN O=C(CSc1nc2ccccc2c(=O)n1C1CC1)NCc1ccc(F)cc1 ZINC000007860049 1398760496 /nfs/dbraw/zinc/76/04/96/1398760496.db2.gz KAPVRCIBYQGYJL-UHFFFAOYSA-N 0 0 383.448 3.279 50 0 GGAARN Cc1c(CC(=O)N[C@@H](C)CCc2ccccc2)c(=O)oc2cc(O)cc(O)c12 ZINC000008490567 1398834795 /nfs/dbraw/zinc/83/47/95/1398834795.db2.gz LBZAUJCRDQNSES-ZDUSSCGKSA-N 0 0 381.428 3.193 50 0 biogenic GGAARN CC(C)C[C@@H](CO)NC(=O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000008765096 1398846145 /nfs/dbraw/zinc/84/61/45/1398846145.db2.gz DDRORYPSWWLBSJ-KRWDZBQOSA-N 0 0 395.455 3.362 50 0 biogenic GGAARN COc1ccc2c(C)c(CC(=O)N[C@H](C)Cc3ccco3)c(=O)oc2c1OC ZINC000008764364 1398846242 /nfs/dbraw/zinc/84/62/42/1398846242.db2.gz PILCCJJZJNRKHC-GFCCVEGCSA-N 0 0 385.416 3.002 50 0 biogenic GGAARN CCCNc1nc(SCCC)nc2c1cnn2CCNC(=O)c1ccco1 ZINC000008794351 1398846751 /nfs/dbraw/zinc/84/67/51/1398846751.db2.gz GMNCJBSJTUWPFS-UHFFFAOYSA-N 0 0 388.497 3.173 50 0 GGAARN Cc1ccc2oc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2n1 ZINC000008798745 1398846821 /nfs/dbraw/zinc/84/68/21/1398846821.db2.gz DEFQVXHYLKEKMR-UHFFFAOYSA-N 0 0 387.442 3.402 50 0 GGAARN COC(=O)C1C(C)=Nc2nc(SC)nn2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000008843513 1398847314 /nfs/dbraw/zinc/84/73/14/1398847314.db2.gz VTQSBTVAYBIFCF-LBPRGKRZSA-N 0 0 384.383 3.481 50 0 GGAARN O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)Nc1ccon1 ZINC000008865938 1398847669 /nfs/dbraw/zinc/84/76/69/1398847669.db2.gz XBCCZCKAWOPNAC-UHFFFAOYSA-N 0 0 399.403 3.240 50 0 GGAARN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000008863669 1398847777 /nfs/dbraw/zinc/84/77/77/1398847777.db2.gz OUYOVCVOIJLCKF-CQSZACIVSA-N 0 0 385.411 3.125 50 0 GGAARN COc1ccccc1CCNC(=O)c1csc(NC(=O)c2ccccc2)n1 ZINC000008873029 1398848153 /nfs/dbraw/zinc/84/81/53/1398848153.db2.gz RWOXWKRAJCJXTK-UHFFFAOYSA-N 0 0 381.457 3.377 50 0 GGAARN CC(C)c1ccc(NC(=O)CCNC(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000008927653 1398849244 /nfs/dbraw/zinc/84/92/44/1398849244.db2.gz PQNSTBVILHUTGF-UHFFFAOYSA-N 0 0 380.448 3.307 50 0 GGAARN Cc1nc2c(s1)c(-c1cccs1)nn(CC(=O)NC1CCCCC1)c2=O ZINC000008956012 1398850103 /nfs/dbraw/zinc/85/01/03/1398850103.db2.gz NCLMLZREFDVACY-UHFFFAOYSA-N 0 0 388.518 3.339 50 0 GGAARN CN1CCOc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2C1=O ZINC000008961544 1398850139 /nfs/dbraw/zinc/85/01/39/1398850139.db2.gz YFZSVDKAZJSKIO-UHFFFAOYSA-N 0 0 382.441 3.105 50 0 GGAARN Cc1nc2c(s1)c(-c1cccs1)nn(CC(=O)NCc1ccccc1)c2=O ZINC000008956014 1398850152 /nfs/dbraw/zinc/85/01/52/1398850152.db2.gz MPMIWAQHGGOCEL-UHFFFAOYSA-N 0 0 396.497 3.206 50 0 GGAARN CCN1c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2OCC(C)(C)C1=O ZINC000008959504 1398850177 /nfs/dbraw/zinc/85/01/77/1398850177.db2.gz QYSNDAISDNIJJN-UHFFFAOYSA-N 0 0 382.416 3.439 50 0 GGAARN Cc1nc2c(s1)c(-c1ccc(F)cc1)nn(CC(=O)NC1CCCC1)c2=O ZINC000008955518 1398850218 /nfs/dbraw/zinc/85/02/18/1398850218.db2.gz LXFZZSORVFAIPO-UHFFFAOYSA-N 0 0 386.452 3.026 50 0 GGAARN O=C(NCCn1nc(-c2cccs2)ccc1=O)c1ccc(C(F)(F)F)cc1 ZINC000008954785 1398850225 /nfs/dbraw/zinc/85/02/25/1398850225.db2.gz AGYSLZXQHUDPIE-UHFFFAOYSA-N 0 0 393.390 3.421 50 0 GGAARN Cc1nc2c(s1)c(-c1ccc(C)cc1)nn(CC(=O)NCc1ccco1)c2=O ZINC000008955131 1398850256 /nfs/dbraw/zinc/85/02/56/1398850256.db2.gz BXBDEFMEXLSFJZ-UHFFFAOYSA-N 0 0 394.456 3.046 50 0 GGAARN Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccc(C)cc4s3)CC2)cc1 ZINC000008966439 1398850733 /nfs/dbraw/zinc/85/07/33/1398850733.db2.gz ZBKRLBXKBQWMLF-UHFFFAOYSA-N 0 0 387.530 3.424 50 0 GGAARN CCN1CCOc2ccc(NS(=O)(=O)c3cc(Cl)ccc3C)cc2C1=O ZINC000008961636 1398850762 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COc1cc([C@@H]2c3c(C)nn(C(C)C)c3NC3=C2C(=O)OC3)cc(OC)c1OC ZINC000020086610 1399342129 /nfs/dbraw/zinc/34/21/29/1399342129.db2.gz HESMQMNIKPUXCQ-QGZVFWFLSA-N 0 0 399.447 3.167 50 0 GGAARN COP(=O)(OC)[C@H](c1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000020112836 1399342980 /nfs/dbraw/zinc/34/29/80/1399342980.db2.gz MSZLEHJCFOZXCK-XAUMDUMWSA-N 0 0 388.404 3.452 50 0 biogenic GGAARN COP(=O)(OC)[C@@H](c1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000020112838 1399343111 /nfs/dbraw/zinc/34/31/11/1399343111.db2.gz MSZLEHJCFOZXCK-VPWXQRGCSA-N 0 0 388.404 3.452 50 0 biogenic GGAARN COCCN(C)C(=O)c1sc2ncnc(N3CCCCCCC3)c2c1C ZINC000020256736 1399344171 /nfs/dbraw/zinc/34/41/71/1399344171.db2.gz VNPLNFDDDRAUDG-UHFFFAOYSA-N 0 0 376.526 3.489 50 0 GGAARN CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccccc2OC)CC1 ZINC000020288047 1399344489 /nfs/dbraw/zinc/34/44/89/1399344489.db2.gz MACAZKWFHIOMAL-UZLBHIALSA-N 0 0 387.549 3.254 50 0 GGAARN CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCOCC3)c2c1 ZINC000020380912 1399345866 /nfs/dbraw/zinc/34/58/66/1399345866.db2.gz NVAVMQRIDYCTKQ-UHFFFAOYSA-N 0 0 398.484 3.303 50 0 GGAARN Cc1nnc(Cn2ccc(-c3cccc(-c4ccc(C(=O)N(C)C)o4)c3)n2)o1 ZINC000020450174 1399346353 /nfs/dbraw/zinc/34/63/53/1399346353.db2.gz QTELPIZAGMRRJY-UHFFFAOYSA-N 0 0 377.404 3.252 50 0 GGAARN CCOCc1nc(-c2c(C)ncc3c2CCN(C(=O)c2ccsc2)C3)no1 ZINC000020452730 1399346406 /nfs/dbraw/zinc/34/64/06/1399346406.db2.gz SMBGDTBWAVZEBA-UHFFFAOYSA-N 0 0 384.461 3.237 50 0 GGAARN Cc1nc(-c2c(C)ncc3c2CCN(C(=O)COc2ccccc2C)C3)no1 ZINC000020418758 1399346621 /nfs/dbraw/zinc/34/66/21/1399346621.db2.gz XQMBLCABDIICAJ-UHFFFAOYSA-N 0 0 378.432 3.021 50 0 GGAARN Cc1ccc2oc(=O)cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 ZINC000020412481 1399346685 /nfs/dbraw/zinc/34/66/85/1399346685.db2.gz KTYKULQYVPOVEG-UHFFFAOYSA-N 0 0 392.455 3.148 50 0 GGAARN NC(=O)c1ccc([C@H]2CCCN2C(=O)Cc2nc3cc(Cl)ccc3[nH]2)s1 ZINC000020472779 1399347092 /nfs/dbraw/zinc/34/70/92/1399347092.db2.gz UYHQGKCNZRATMW-CYBMUJFWSA-N 0 0 388.880 3.283 50 0 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/nfs/dbraw/zinc/53/80/04/1399538004.db2.gz VPBYCDVFBUTZFN-UHFFFAOYSA-N 0 0 375.428 3.106 50 0 GGAARN CNC(=O)c1ccc([C@H]2CCCN2C(=O)c2cc3cccnc3nc2C)s1 ZINC000023191836 1399538037 /nfs/dbraw/zinc/53/80/37/1399538037.db2.gz DLUQMMKKVQZZCY-OAHLLOKOSA-N 0 0 380.473 3.337 50 0 GGAARN CC[C@@H](C)n1[nH]c(C)c2nc(-c3ccccc3OCCN3CCOCC3)nc1-2 ZINC000023311851 1399549228 /nfs/dbraw/zinc/54/92/28/1399549228.db2.gz WRFUOFVOHNWBPQ-OAHLLOKOSA-N 0 0 383.496 3.417 50 0 GGAARN Cc1c(Cl)cccc1NC(=O)N1CCC(Cn2cc([C@H](C)O)nn2)CC1 ZINC000023380353 1399554569 /nfs/dbraw/zinc/55/45/69/1399554569.db2.gz IJCKNVVVSGWCNU-ZDUSSCGKSA-N 0 0 377.876 3.237 50 0 GGAARN O=C(CCc1cn[nH]c1)N1CCC[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000023506505 1399566529 /nfs/dbraw/zinc/56/65/29/1399566529.db2.gz KIXXPJFCPXNVHT-OAHLLOKOSA-N 0 0 379.382 3.483 50 0 GGAARN COc1cccc([C@H]2CCN(c3ncc(C)c(-c4cnn(C)c4)n3)C2)c1OC ZINC000023541303 1399569602 /nfs/dbraw/zinc/56/96/02/1399569602.db2.gz DXIPZZRGPWFERP-HNNXBMFYSA-N 0 0 379.464 3.197 50 0 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O=C(Nc1ccccc1)NC1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000057009462 1407499353 /nfs/dbraw/zinc/49/93/53/1407499353.db2.gz HDBZRGUBSOGRSP-UHFFFAOYSA-N 0 0 393.896 3.315 50 0 GGAARN O=C(CN1CCN(c2ccc(F)cc2)CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000057054290 1407508983 /nfs/dbraw/zinc/50/89/83/1407508983.db2.gz RECSAQZNYWXXQI-UHFFFAOYSA-N 0 0 392.478 3.014 50 0 GGAARN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2ccccc2)CC1)CC3 ZINC000057058780 1407512306 /nfs/dbraw/zinc/51/23/06/1407512306.db2.gz DJWJZNGQADHPRW-UHFFFAOYSA-N 0 0 388.515 3.183 50 0 GGAARN O=C(c1cn(-c2ccccc2Cl)nn1)N1CCN(c2ccccc2F)CC1 ZINC000057511561 1407640968 /nfs/dbraw/zinc/64/09/68/1407640968.db2.gz PMTSNLICUYPACW-UHFFFAOYSA-N 0 0 385.830 3.022 50 0 GGAARN O=C(NCCCN1CCc2ccccc21)Nc1cccc(N2CCOC2=O)c1 ZINC000058104049 1407784317 /nfs/dbraw/zinc/78/43/17/1407784317.db2.gz XBEXDTHULSDDAP-UHFFFAOYSA-N 0 0 380.448 3.218 50 0 GGAARN CCc1cnn2c1nc(N1CCCC[C@H]1CCO)cc2NCc1cccnc1 ZINC000059185756 1407916447 /nfs/dbraw/zinc/91/64/47/1407916447.db2.gz 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ZINC000072405679 1409849854 /nfs/dbraw/zinc/84/98/54/1409849854.db2.gz UYIFEYBAOLXQFM-UHFFFAOYSA-N 0 0 385.445 3.157 50 0 GGAARN Cc1cc(N2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)ncn1 ZINC000077200573 1409894172 /nfs/dbraw/zinc/89/41/72/1409894172.db2.gz AGHOUKHMAZKOQJ-UHFFFAOYSA-N 0 0 386.455 3.371 50 0 GGAARN Cc1ccc(/C=C/S(=O)(=O)NC[C@@H](c2ccsc2)N2CCOCC2)cc1 ZINC000077200731 1409894457 /nfs/dbraw/zinc/89/44/57/1409894457.db2.gz ZPDJSGIDSBKFPC-KRSRXSRCSA-N 0 0 392.546 3.020 50 0 GGAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)[C@H]2CC=CCC2)cc1 ZINC000077200638 1409894461 /nfs/dbraw/zinc/89/44/61/1409894461.db2.gz JVOFATIOAYOUIM-RBUKOAKNSA-N 0 0 390.549 3.401 50 0 GGAARN CC(=O)N1CCc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)nn3C)cc21 ZINC000077200753 1409894598 /nfs/dbraw/zinc/89/45/98/1409894598.db2.gz OCUHCMORDADLCC-UHFFFAOYSA-N 0 0 378.407 3.388 50 0 GGAARN CC1(C)C[C@H](NC(=O)c2cn(Cc3cccnc3)c(=O)c3ccccc23)CCO1 ZINC000079483296 1409977346 /nfs/dbraw/zinc/97/73/46/1409977346.db2.gz LYMLXINXRAALIF-QGZVFWFLSA-N 0 0 391.471 3.132 50 0 GGAARN CCOC(=O)Cn1nc(C)c2c1NC(=O)CS[C@H]2c1ccc(OC)cc1 ZINC000079487033 1409978644 /nfs/dbraw/zinc/97/86/44/1409978644.db2.gz HDIYESFELHHGQP-KRWDZBQOSA-N 0 0 375.450 3.187 50 0 GGAARN CCOC(=O)n1nc2c(c1NC(=O)c1ccc(C(F)(F)F)cc1)CNC2(C)C ZINC000088383871 1410049699 /nfs/dbraw/zinc/04/96/99/1410049699.db2.gz DEVXVVMPDGIZDK-UHFFFAOYSA-N 0 0 396.369 3.497 50 0 GGAARN CCCn1ccnc1CN1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 ZINC000091326011 1410072464 /nfs/dbraw/zinc/07/24/64/1410072464.db2.gz JNNSHPNPCNSQBS-QFIPXVFZSA-N 0 0 381.524 3.093 50 0 GGAARN Cc1c(C(=O)N[C@H]2CCCc3nc(-c4ccccc4)ncc32)cnc2ccnn21 ZINC000091952265 1410095002 /nfs/dbraw/zinc/09/50/02/1410095002.db2.gz HXWBMRYPXULAQP-IBGZPJMESA-N 0 0 384.443 3.302 50 0 GGAARN COc1ccc(CC(=O)N[C@H](n2nnc3ccccc32)C(C)(C)C)cc1OC ZINC000095080580 1410309136 /nfs/dbraw/zinc/30/91/36/1410309136.db2.gz BJNHQGKLOLJVOT-HXUWFJFHSA-N 0 0 382.464 3.352 50 0 GGAARN Cc1nc2c(cnn2C)c(N2CCC[C@H](c3nc(-c4ccccc4)no3)C2)n1 ZINC000095353477 1410310059 /nfs/dbraw/zinc/31/00/59/1410310059.db2.gz JNGMIQGZVVFXRO-HNNXBMFYSA-N 0 0 375.436 3.106 50 0 GGAARN Cc1ccn2c(=O)cc(C[N@@H+]3CCC[C@@H](c4ccc(C(=O)[O-])cc4)C3)nc2c1 ZINC000095354368 1410310177 /nfs/dbraw/zinc/31/01/77/1410310177.db2.gz FPMDCOXCOAKYHG-GOSISDBHSA-N 0 0 377.444 3.081 50 0 GGAARN CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000095473912 1410313066 /nfs/dbraw/zinc/31/30/66/1410313066.db2.gz NHGLWBFIFOMVLG-GCJKJVERSA-N 0 0 388.508 3.479 50 0 GGAARN CC1=Nc2c(c(=O)[nH]n2C2CCOCC2)[C@@H](c2cc3ccccc3[nH]c2=O)S1 ZINC000095472849 1410313094 /nfs/dbraw/zinc/31/30/94/1410313094.db2.gz QFDJIIXZNFDMMG-QGZVFWFLSA-N 0 0 396.472 3.256 50 0 GGAARN Cn1ccc2c1cccc2NC(=O)CCCNc1nc(Cl)nc2nc[nH]c21 ZINC000095472262 1410313111 /nfs/dbraw/zinc/31/31/11/1410313111.db2.gz ZCJMRBJOYTYXRY-UHFFFAOYSA-N 0 0 383.843 3.329 50 0 GGAARN Cc1cc(=O)c(OCC(=O)NCCC(c2ccccc2)c2ccccc2)cn1C ZINC000095472736 1410313152 /nfs/dbraw/zinc/31/31/52/1410313152.db2.gz UICHHCDHDUYBAW-UHFFFAOYSA-N 0 0 390.483 3.411 50 0 GGAARN O=C(COc1cccc(-n2cnnc2)c1)NCCn1ccc2ccc(Cl)cc21 ZINC000095473622 1410313159 /nfs/dbraw/zinc/31/31/59/1410313159.db2.gz LUASCMGRPODYFL-UHFFFAOYSA-N 0 0 395.850 3.071 50 0 GGAARN COc1ccc(F)cc1S(=O)(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000095470738 1410313232 /nfs/dbraw/zinc/31/32/32/1410313232.db2.gz JBQCCCBCDQRREG-UHFFFAOYSA-N 0 0 397.815 3.016 50 0 GGAARN Cn1ccc2c1cccc2NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000095473724 1410313342 /nfs/dbraw/zinc/31/33/42/1410313342.db2.gz KOFRANDCHACPMN-UHFFFAOYSA-N 0 0 397.500 3.218 50 0 GGAARN C[C@H](C(=O)Nc1nc(-c2cccs2)cs1)n1nnc2ccccc2c1=O ZINC000095472424 1410313438 /nfs/dbraw/zinc/31/34/38/1410313438.db2.gz RMPINNYMUAGURM-SNVBAGLBSA-N 0 0 383.458 3.176 50 0 GGAARN COCCn1c(C(=O)N[C@@H](C)c2nnc3ccccn32)cc2cc(Cl)ccc21 ZINC000095474903 1410313771 /nfs/dbraw/zinc/31/37/71/1410313771.db2.gz JEUAOJAIFDOEKM-ZDUSSCGKSA-N 0 0 397.866 3.475 50 0 GGAARN CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000095473914 1410313843 /nfs/dbraw/zinc/31/38/43/1410313843.db2.gz NHGLWBFIFOMVLG-AVRDEDQJSA-N 0 0 388.508 3.479 50 0 GGAARN O=C(NCCCCCc1nnc2ccccn21)c1cc(-c2cccs2)n[nH]1 ZINC000095477686 1410313871 /nfs/dbraw/zinc/31/38/71/1410313871.db2.gz KAGKSADWRWBZTL-UHFFFAOYSA-N 0 0 380.477 3.324 50 0 GGAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2nc(C(=O)OC)c(C(C)C)s2)c1C ZINC000095476097 1410313880 /nfs/dbraw/zinc/31/38/80/1410313880.db2.gz WMWKHTHFFSLIDL-UHFFFAOYSA-N 0 0 393.465 3.427 50 0 GGAARN COc1ccc(CCc2nnc(NC(=O)c3ccc4c(c3)OCCCO4)[nH]2)cc1 ZINC000095475394 1410313933 /nfs/dbraw/zinc/31/39/33/1410313933.db2.gz YNDQCUDVJFDQSJ-UHFFFAOYSA-N 0 0 394.431 3.012 50 0 GGAARN COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)ccc1O ZINC000095474363 1410313992 /nfs/dbraw/zinc/31/39/92/1410313992.db2.gz QGLNMMDMOGPCGF-MRXNPFEDSA-N 0 0 375.450 3.430 50 0 GGAARN CC(C)Cc1nc2cc(NC(=O)[C@@H](C)n3nnc4ccccc4c3=O)ccc2[nH]1 ZINC000095474760 1410314135 /nfs/dbraw/zinc/31/41/35/1410314135.db2.gz GXJYACDPMWVKST-CYBMUJFWSA-N 0 0 390.447 3.066 50 0 GGAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc(C)cc1C)C=C2 ZINC000095477105 1410314144 /nfs/dbraw/zinc/31/41/44/1410314144.db2.gz BNQZXFSTAZEKIV-UHFFFAOYSA-N 0 0 380.444 3.315 50 0 GGAARN O=C(CC1(n2cccc2)CCCCC1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000095474301 1410314215 /nfs/dbraw/zinc/31/42/15/1410314215.db2.gz SYGIZNWHVDYVLP-UHFFFAOYSA-N 0 0 381.402 3.190 50 0 GGAARN O=C(CCCC(=O)N1CCC(c2noc3ccc(F)cc32)CC1)N1CCCC1 ZINC000095478414 1410314405 /nfs/dbraw/zinc/31/44/05/1410314405.db2.gz REGLMOONJSRMLA-UHFFFAOYSA-N 0 0 387.455 3.466 50 0 GGAARN CC(C)Cc1cc(-c2nnc3sc(-c4cc(CC(C)C)n(C)n4)nn32)n(C)n1 ZINC000095478085 1410314434 /nfs/dbraw/zinc/31/44/34/1410314434.db2.gz QDODQFCGCIVRQB-UHFFFAOYSA-N 0 0 398.540 3.384 50 0 GGAARN CC(C)(C)c1csc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4ccccc43)C2)n1 ZINC000095479359 1410314502 /nfs/dbraw/zinc/31/45/02/1410314502.db2.gz RSICBEUDUXBFLD-LLVKDONJSA-N 0 0 383.477 3.309 50 0 GGAARN COCCn1c(C(=O)Nc2n[nH]c([C@H]3CCCO3)n2)cc2cc(Cl)ccc21 ZINC000095479954 1410314522 /nfs/dbraw/zinc/31/45/22/1410314522.db2.gz KQWZUDOAMILFBD-OAHLLOKOSA-N 0 0 389.843 3.163 50 0 GGAARN CC(C)c1nnc(NC(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)[nH]1 ZINC000095478020 1410314528 /nfs/dbraw/zinc/31/45/28/1410314528.db2.gz NKVIHDLDOOVLIW-UHFFFAOYSA-N 0 0 394.479 3.083 50 0 GGAARN O=C(Nc1nnc(CCc2ccccc2)[nH]1)c1cccc(Nc2ncccn2)c1 ZINC000095479586 1410314582 /nfs/dbraw/zinc/31/45/82/1410314582.db2.gz FVVGFUVJHKGHNX-UHFFFAOYSA-N 0 0 385.431 3.376 50 0 GGAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCCCN1CCOCC1 ZINC000095480024 1410314651 /nfs/dbraw/zinc/31/46/51/1410314651.db2.gz KUODGZWKDUWGKW-IBGZPJMESA-N 0 0 389.927 3.154 50 0 GGAARN COc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3cccc(C)c3C)n2)c1 ZINC000095482345 1410315229 /nfs/dbraw/zinc/31/52/29/1410315229.db2.gz WXFNLSMPGUKZPI-OAHLLOKOSA-N 0 0 381.432 3.446 50 0 GGAARN CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 ZINC000095482382 1410315480 /nfs/dbraw/zinc/31/54/80/1410315480.db2.gz KFWWEVRHRDGXHG-KRWDZBQOSA-N 0 0 385.395 3.358 50 0 GGAARN COC(=O)c1cc(F)cc2c1C(=O)[C@@H](c1ncnn1C)[C@H](c1ccc(F)cc1)N2 ZINC000095837043 1410316242 /nfs/dbraw/zinc/31/62/42/1410316242.db2.gz PVAIIDFKUPYMQA-IRXDYDNUSA-N 0 0 398.369 3.013 50 0 GGAARN Cc1ccc(C)c(CN2C(=O)NC3(CCN(C(=O)c4cccs4)CC3)C2=O)c1 ZINC000096105378 1410323157 /nfs/dbraw/zinc/32/31/57/1410323157.db2.gz YJQHBOWACDHVSN-UHFFFAOYSA-N 0 0 397.500 3.092 50 0 GGAARN CC(C)n1cc(N2C[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)CC2=O)cn1 ZINC000096101519 1410323226 /nfs/dbraw/zinc/32/32/26/1410323226.db2.gz MLKPXRHJRNIUQH-FQEVSTJZSA-N 0 0 394.519 3.298 50 0 GGAARN O=C(c1ccccc1Cl)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000096105426 1410323234 /nfs/dbraw/zinc/32/32/34/1410323234.db2.gz FZYWDQUSOUXWKQ-UHFFFAOYSA-N 0 0 397.862 3.067 50 0 GGAARN Cc1ccc(C)c(CN2C(=O)NC3(CCN(C(=O)c4ccsc4)CC3)C2=O)c1 ZINC000096105585 1410323347 /nfs/dbraw/zinc/32/33/47/1410323347.db2.gz LVUYSPCPTXKVNQ-UHFFFAOYSA-N 0 0 397.500 3.092 50 0 GGAARN O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(Cc1ccccc1Cl)C2=O ZINC000096105530 1410323399 /nfs/dbraw/zinc/32/33/99/1410323399.db2.gz OCBPRCIXHPTWGM-UHFFFAOYSA-N 0 0 397.862 3.067 50 0 GGAARN COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCC(=O)c1ccccc1 ZINC000096113743 1410323422 /nfs/dbraw/zinc/32/34/22/1410323422.db2.gz SSMMJPLWDNNKAZ-UHFFFAOYSA-N 0 0 379.412 3.042 50 0 biogenic GGAARN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cccc(C(=O)c3nccn3C)c2)c1C ZINC000096117569 1410323687 /nfs/dbraw/zinc/32/36/87/1410323687.db2.gz IDOCXWQBTHTBQP-UHFFFAOYSA-N 0 0 394.431 3.025 50 0 GGAARN O=c1[nH]n(C2CCOCC2)c2c1[C@@H](c1cc(F)c(F)c(F)c1)SCC(=O)N2 ZINC000096116895 1410323697 /nfs/dbraw/zinc/32/36/97/1410323697.db2.gz WNYBQBSLLJKZPQ-OAHLLOKOSA-N 0 0 399.394 3.132 50 0 GGAARN COc1cc2cc(C(=O)Nc3ccc(Cn4cncn4)cc3)n(C)c2cc1OC ZINC000096116725 1410323756 /nfs/dbraw/zinc/32/37/56/1410323756.db2.gz HTZCUPMIRRWICA-UHFFFAOYSA-N 0 0 391.431 3.088 50 0 GGAARN COc1ccc(OC)c2[nH]c(C(=O)NCCc3nc4ccccc4n3C)cc21 ZINC000096116603 1410323776 /nfs/dbraw/zinc/32/37/76/1410323776.db2.gz ZYLBDRNGWFDFIS-UHFFFAOYSA-N 0 0 378.432 3.044 50 0 GGAARN CC(C)n1cnc2ccc(NC(=O)CCc3ccc4c(c3)CCO4)cc2c1=O ZINC000096116577 1410323783 /nfs/dbraw/zinc/32/37/83/1410323783.db2.gz RZCNMMDDCIKRNS-UHFFFAOYSA-N 0 0 377.444 3.484 50 0 biogenic GGAARN COC(=O)c1nc(NC(=O)CCCc2nnc3ccccn32)sc1C(C)C ZINC000096118346 1410323836 /nfs/dbraw/zinc/32/38/36/1410323836.db2.gz UETHRVPOZBQZOX-UHFFFAOYSA-N 0 0 387.465 3.057 50 0 GGAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc3cc[nH]c3c1)C=C2 ZINC000096116230 1410323891 /nfs/dbraw/zinc/32/38/91/1410323891.db2.gz FPOBBTRJAHIBFG-UHFFFAOYSA-N 0 0 391.427 3.179 50 0 biogenic GGAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cnn3cccnc23)S1 ZINC000096117359 1410323897 /nfs/dbraw/zinc/32/38/97/1410323897.db2.gz PALBUBHGOHMJPY-SWLSCSKDSA-N 0 0 398.492 3.235 50 0 GGAARN CC(C)C[C@H](NC(=O)c1cc(=O)[nH]c2ccccc21)c1nnc2ccccn21 ZINC000096117110 1410323909 /nfs/dbraw/zinc/32/39/09/1410323909.db2.gz WXMYEITUOGHIDL-KRWDZBQOSA-N 0 0 375.432 3.088 50 0 GGAARN Cc1c(C)c2ccc(OCC(=O)NCCc3ccc(O)cc3)c(C)c2oc1=O ZINC000096115653 1410323918 /nfs/dbraw/zinc/32/39/18/1410323918.db2.gz DCFWCBTZGOTNOF-UHFFFAOYSA-N 0 0 381.428 3.162 50 0 biogenic GGAARN Cc1cc(O)cc(=O)n1CCCC(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000096117304 1410324065 /nfs/dbraw/zinc/32/40/65/1410324065.db2.gz SBDFJJYJMPSNMQ-GOSISDBHSA-N 0 0 396.447 3.009 50 0 GGAARN COc1ccc(OC)c2[nH]c(C(=O)Nc3ccc(Cn4cncn4)cc3)cc21 ZINC000096117867 1410324086 /nfs/dbraw/zinc/32/40/86/1410324086.db2.gz NJWCBDGTQHHBHK-UHFFFAOYSA-N 0 0 377.404 3.077 50 0 GGAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCSCC2)cc1 ZINC000096117983 1410324109 /nfs/dbraw/zinc/32/41/09/1410324109.db2.gz HIXHFGVIBMGDKS-MRXNPFEDSA-N 0 0 391.518 3.440 50 0 GGAARN COC(=O)C[C@@H](c1ccnn1C(C)C)c1c(=O)[nH][nH]c1Cc1ccc(OC)cc1 ZINC000096116825 1410324121 /nfs/dbraw/zinc/32/41/21/1410324121.db2.gz YMPXLIZRBXNZMX-INIZCTEOSA-N 0 0 398.463 3.187 50 0 GGAARN O=C(CCN1CCOCC1)N1N=C(c2ccco2)C[C@@H]1c1cccc(Cl)c1 ZINC000096118933 1410324309 /nfs/dbraw/zinc/32/43/09/1410324309.db2.gz BDYLUJFVUJMVNF-GOSISDBHSA-N 0 0 387.867 3.333 50 0 GGAARN CC(C)n1nnc(-c2ccc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)cc2)n1 ZINC000096118840 1410324413 /nfs/dbraw/zinc/32/44/13/1410324413.db2.gz QYJKYGJZTGQLFX-ZDUSSCGKSA-N 0 0 375.436 3.288 50 0 GGAARN COc1ccc(C2(C(=O)NCCn3c(C)nc4ccccc43)CCOCC2)cc1 ZINC000096118518 1410324488 /nfs/dbraw/zinc/32/44/88/1410324488.db2.gz PUPRDDNBQNTOEG-UHFFFAOYSA-N 0 0 393.487 3.218 50 0 GGAARN COc1cc2cc(C(=O)NCCCc3nc4ccccc4[nH]3)[nH]c2cc1OC ZINC000096118718 1410324677 /nfs/dbraw/zinc/32/46/77/1410324677.db2.gz LHRSDLGOIZQNNB-UHFFFAOYSA-N 0 0 378.432 3.424 50 0 GGAARN CC(C)[C@H](NC(=O)COc1ccccc1-n1cnnc1)c1nc2ccccc2[nH]1 ZINC000096230688 1410325660 /nfs/dbraw/zinc/32/56/60/1410325660.db2.gz ZGPVMZWAUMEAOW-FQEVSTJZSA-N 0 0 390.447 3.036 50 0 GGAARN COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1cc(F)c(F)cc1F)c1ccncc1 ZINC000096232554 1410325693 /nfs/dbraw/zinc/32/56/93/1410325693.db2.gz ZYLJIXQEOTVLPC-GFCCVEGCSA-N 0 0 391.349 3.213 50 0 GGAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(O)c2)CCO1 ZINC000096230701 1410325762 /nfs/dbraw/zinc/32/57/62/1410325762.db2.gz NFVMPOCZCMJELM-LRDDRELGSA-N 0 0 389.477 3.199 50 0 GGAARN O=C(N[C@H]1CCCc2c3cc(F)ccc3[nH]c21)C1(n2cnnn2)CCCCC1 ZINC000096231873 1410325779 /nfs/dbraw/zinc/32/57/79/1410325779.db2.gz ABLWFFODBBOSFT-KRWDZBQOSA-N 0 0 382.443 3.147 50 0 GGAARN COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1cc(F)c(F)cc1F)c1ccncc1 ZINC000096232553 1410325824 /nfs/dbraw/zinc/32/58/24/1410325824.db2.gz ZYLJIXQEOTVLPC-LBPRGKRZSA-N 0 0 391.349 3.213 50 0 GGAARN COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1cc(F)c(F)cc1F)c1cccnc1 ZINC000096231725 1410325872 /nfs/dbraw/zinc/32/58/72/1410325872.db2.gz IDXVBAJUSJFLEU-GFCCVEGCSA-N 0 0 391.349 3.213 50 0 GGAARN O=C(N[C@H]1CCCc2c3cc(F)ccc3[nH]c21)c1ccccc1-n1cnnn1 ZINC000096232646 1410325922 /nfs/dbraw/zinc/32/59/22/1410325922.db2.gz ZGPJLZBGQUUZAD-KRWDZBQOSA-N 0 0 376.395 3.090 50 0 GGAARN O=C(Cn1nc2c(cc1=O)CCCCC2)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000096232403 1410325989 /nfs/dbraw/zinc/32/59/89/1410325989.db2.gz AEHHSGRWVOSDJC-HXUWFJFHSA-N 0 0 390.487 3.187 50 0 GGAARN CC(=O)Nc1cccc(C(=O)c2cc3c(o2)c(C)ncc3CN2CCOCC2)c1 ZINC000096231484 1410325995 /nfs/dbraw/zinc/32/59/95/1410325995.db2.gz LGDMAXZEBHNJAL-UHFFFAOYSA-N 0 0 393.443 3.158 50 0 GGAARN COc1ccc(-n2cnc3c2[C@@H](c2cc4c(c(OC)c2)OCO4)CC(=O)N3)cc1 ZINC000096335731 1410327712 /nfs/dbraw/zinc/32/77/12/1410327712.db2.gz DLIFCCUDWBQGRQ-OAHLLOKOSA-N 0 0 393.399 3.092 50 0 GGAARN O=C(NCc1cccc(Cl)c1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000096345182 1410327749 /nfs/dbraw/zinc/32/77/49/1410327749.db2.gz NKWANJWEPKAHJO-LBPRGKRZSA-N 0 0 386.814 3.025 50 0 GGAARN O=C(Nc1nc2ccccc2s1)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000096344929 1410327767 /nfs/dbraw/zinc/32/77/67/1410327767.db2.gz WHSCEQKPUPEYLD-NSHDSACASA-N 0 0 377.429 3.164 50 0 GGAARN O=C(NCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000096345361 1410327785 /nfs/dbraw/zinc/32/77/85/1410327785.db2.gz NPXBDJDUWOZBJX-LBPRGKRZSA-N 0 0 386.814 3.025 50 0 GGAARN Cc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4n[nH]c5ccccc54)C3)sc2c1 ZINC000096345638 1410327806 /nfs/dbraw/zinc/32/78/06/1410327806.db2.gz YIRVGQSZJPFUMW-GFCCVEGCSA-N 0 0 391.456 3.473 50 0 GGAARN CN1CCc2cc([C@@H](O)CNC(=O)c3csc(-c4ccccc4)n3)ccc21 ZINC000096362437 1410328061 /nfs/dbraw/zinc/32/80/61/1410328061.db2.gz VAAPZCXMAAZOJU-IBGZPJMESA-N 0 0 379.485 3.266 50 0 GGAARN O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000096365617 1410328281 /nfs/dbraw/zinc/32/82/81/1410328281.db2.gz MECVRWKCFILPHN-INIZCTEOSA-N 0 0 383.391 3.394 50 0 GGAARN O=C(c1ccc(-c2cccs2)cc1)N1CC(S(=O)(=O)Cc2ccco2)C1 ZINC000096380486 1410329617 /nfs/dbraw/zinc/32/96/17/1410329617.db2.gz PHGYYXLWVRYFEI-UHFFFAOYSA-N 0 0 387.482 3.448 50 0 GGAARN CN(C)c1ccc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCN2C3=O)cc1 ZINC000097078108 1410351273 /nfs/dbraw/zinc/35/12/73/1410351273.db2.gz KIAGSHXFMHHSGF-FQEVSTJZSA-N 0 0 378.476 3.407 50 0 GGAARN COc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(OC)c(OC)c3)C2)c(OC)c1 ZINC000101029065 1410440288 /nfs/dbraw/zinc/44/02/88/1410440288.db2.gz JZXVPCLAAOLJCJ-QGZVFWFLSA-N 0 0 394.431 3.369 50 0 GGAARN CCOc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=Nc3nnnn32)cc1 ZINC000101024113 1410440343 /nfs/dbraw/zinc/44/03/43/1410440343.db2.gz KKGYQAUVFNCJGB-GOSISDBHSA-N 0 0 379.420 3.145 50 0 GGAARN COCCn1c2cc(OC)c(OC)cc2sc1=NC(=O)Cc1ccccc1 ZINC000101016838 1410440438 /nfs/dbraw/zinc/44/04/38/1410440438.db2.gz LAVCUNVZEATEBX-MRCUWXFGSA-N 0 0 386.473 3.036 50 0 GGAARN COc1ccc2c(c1)NC(=O)[C@@H]2Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000106463561 1411222739 /nfs/dbraw/zinc/22/27/39/1411222739.db2.gz LGDFFWDBTPATJR-OAHLLOKOSA-N 0 0 381.388 3.041 50 0 GGAARN O=C(Cc1csc(-c2ccccc2)n1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000110951898 1411878636 /nfs/dbraw/zinc/87/86/36/1411878636.db2.gz UOKYDNKLCXLFEI-LJQANCHMSA-N 0 0 385.533 3.066 50 0 GGAARN CCc1nc(CN2CCC(CNC(=O)c3ccc4nccnc4c3)CC2)cs1 ZINC000111043668 1411883797 /nfs/dbraw/zinc/88/37/97/1411883797.db2.gz ZXCRUZHWDAHMKQ-UHFFFAOYSA-N 0 0 395.532 3.291 50 0 GGAARN O=C1CCCN1c1ccc(Cl)c(NS(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000124975641 1415084489 /nfs/dbraw/zinc/08/44/89/1415084489.db2.gz XOZIYINMFSQESB-UHFFFAOYSA-N 0 0 392.864 3.203 50 0 GGAARN COc1ccc(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)cc1OC ZINC000130498807 1416388714 /nfs/dbraw/zinc/38/87/14/1416388714.db2.gz PLVUWHKESQBHRV-UHFFFAOYSA-N 0 0 382.460 3.429 50 0 GGAARN CC1(C)C(C(N)=O)=C(N)NC(=S)[C@H]1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000137348140 1417381086 /nfs/dbraw/zinc/38/10/86/1417381086.db2.gz RMZIMNCSPFIMFX-RYUDHWBXSA-N 0 0 392.937 3.373 50 0 GGAARN O=C(CCc1ccccc1)N1CCC(Cn2cnc3ccccc3c2=O)CC1 ZINC000143369057 1417629513 /nfs/dbraw/zinc/62/95/13/1417629513.db2.gz VOOHUDNMSAFWLT-UHFFFAOYSA-N 0 0 375.472 3.268 50 0 GGAARN Cn1ccnc1[C@@H](O)C1CCN(C(=O)/C=C/c2nc3ccccc3s2)CC1 ZINC000154789864 1423034003 /nfs/dbraw/zinc/03/40/03/1423034003.db2.gz RBIGDEPBRBXELD-GHOSXJJBSA-N 0 0 382.489 3.015 50 0 GGAARN COC(=O)c1cc(Br)c(Cl)cc1I ZINC000160779889 1424634719 /nfs/dbraw/zinc/63/47/19/1424634719.db2.gz MJGLOYDQWHRROF-UHFFFAOYSA-N 0 0 375.387 3.494 50 0 GGAARN Cc1cn2nc(C(=O)Nc3ccc(C)c(F)c3)cc2c(N2CCSCC2)n1 ZINC000169768673 1425250553 /nfs/dbraw/zinc/25/05/53/1425250553.db2.gz LHCWPVQLTPQHAZ-UHFFFAOYSA-N 0 0 385.468 3.291 50 0 GGAARN O=C(Nc1ccccc1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000169772950 1425252759 /nfs/dbraw/zinc/25/27/59/1425252759.db2.gz QSPBSZSLVHGVMK-NSHDSACASA-N 0 0 399.248 3.317 50 0 GGAARN CN(C)c1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172685632 1426142813 /nfs/dbraw/zinc/14/28/13/1426142813.db2.gz MZYRMVBBZLRZJF-UHFFFAOYSA-N 0 0 386.883 3.292 50 0 GGAARN CN(Cc1cnc2ccccn12)C(=O)CCc1nnc(CCc2ccccc2)o1 ZINC000199288506 1433352586 /nfs/dbraw/zinc/35/25/86/1433352586.db2.gz NUWZXHKNBLZRNL-UHFFFAOYSA-N 0 0 389.459 3.094 50 0 GGAARN CCCc1cnc(N2CCN(Cc3ccc(OC)c(O)c3Cl)CC2)nc1 ZINC000199408688 1433352700 /nfs/dbraw/zinc/35/27/00/1433352700.db2.gz UXTQLFNCRDJAGP-UHFFFAOYSA-N 0 0 376.888 3.119 50 0 GGAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@@H]2C ZINC000227879549 1433370792 /nfs/dbraw/zinc/37/07/92/1433370792.db2.gz BHUYQWOTTXMBRW-ZIAGYGMSSA-N 0 0 382.485 3.223 50 0 GGAARN O=S(=O)(Cc1ccccc1F)N1CC[C@H](Oc2cccc3cccnc32)C1 ZINC000238888880 1433445510 /nfs/dbraw/zinc/44/55/10/1433445510.db2.gz QKHPWWAACCBMGO-KRWDZBQOSA-N 0 0 386.448 3.357 50 0 GGAARN CCn1cc(C(=O)NCc2cccnc2-c2cccnc2)c(=O)c2ccc(C)nc21 ZINC000238923702 1433445538 /nfs/dbraw/zinc/44/55/38/1433445538.db2.gz UKKCDJMAAGODQF-UHFFFAOYSA-N 0 0 399.454 3.112 50 0 GGAARN O=S(=O)(Cc1ccccc1F)N1CC[C@@H](Oc2cccc3cccnc32)C1 ZINC000238888881 1433445560 /nfs/dbraw/zinc/44/55/60/1433445560.db2.gz QKHPWWAACCBMGO-QGZVFWFLSA-N 0 0 386.448 3.357 50 0 GGAARN O=C(COc1ccc(NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@H]2C(=O)O[C@H]4C3)cc1)c1ccccc1 ZINC000239274721 1433445789 /nfs/dbraw/zinc/44/57/89/1433445789.db2.gz APSRXKDZLOQSAD-FLXYZCAYSA-N 0 0 391.423 3.084 50 0 GGAARN O=C(Cc1ccc2c(c1)OCO2)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 ZINC000245174476 1433453424 /nfs/dbraw/zinc/45/34/24/1433453424.db2.gz 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C[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000245053588 1433453541 /nfs/dbraw/zinc/45/35/41/1433453541.db2.gz PBUBOLBZCHEUDZ-CQSZACIVSA-N 0 0 386.473 3.044 50 0 GGAARN COc1ccc2c(c1)CCN(C(=O)c1cnc(O[C@@H]3CCOC3)c(Cl)c1)C2 ZINC000245108459 1433453551 /nfs/dbraw/zinc/45/35/51/1433453551.db2.gz SYCMIRKEYKVJNK-QGZVFWFLSA-N 0 0 388.851 3.110 50 0 GGAARN Cc1noc([C@@H]2CN(C(=O)c3noc4c3CCCC4)C[C@H]2c2ccccc2)n1 ZINC000244986268 1433453554 /nfs/dbraw/zinc/45/35/54/1433453554.db2.gz JNNCFXUFKXINQE-DLBZAZTESA-N 0 0 378.432 3.268 50 0 GGAARN O=C(Nc1ccc(F)cc1)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 ZINC000245312911 1433455890 /nfs/dbraw/zinc/45/58/90/1433455890.db2.gz YQWWIHNYWZYGJN-GMVCYHGDSA-N 0 0 394.402 3.214 50 0 GGAARN O=C(CC[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O)NCCc1ccco1 ZINC000252487980 1433863400 /nfs/dbraw/zinc/86/34/00/1433863400.db2.gz IGECATQNDJCSCZ-SFHVURJKSA-N 0 0 391.427 3.201 50 0 GGAARN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCCc2ccc(O)cc2)CC1 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COc1cccc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2cccs2)c1 ZINC000253407777 206283230 /nfs/dbraw/zinc/28/32/30/206283230.db2.gz WTJBUEBHFZTHKS-QGZVFWFLSA-N 0 0 395.527 3.033 50 0 GGAARN Cc1cc2ccccc2n1CCNC(=O)c1ccc(OC2CCOCC2)nc1 ZINC000253405681 206283339 /nfs/dbraw/zinc/28/33/39/206283339.db2.gz SZEBKQGOWZEMBB-UHFFFAOYSA-N 0 0 379.460 3.333 50 0 GGAARN COC(=O)c1sccc1NC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000253472643 206283478 /nfs/dbraw/zinc/28/34/78/206283478.db2.gz OBGWRRASIJEIHX-UHFFFAOYSA-N 0 0 396.852 3.393 50 0 GGAARN Cc1noc([C@H]2CN(C(=O)c3c(C)nc4ccccn43)C[C@H]2c2ccccc2)n1 ZINC000253407793 206282492 /nfs/dbraw/zinc/28/24/92/206282492.db2.gz WTKVINHBNLPBKZ-ROUUACIJSA-N 0 0 387.443 3.358 50 0 GGAARN O=C(NC[C@](O)(c1ccsc1)c1ccco1)c1ccc(C(F)(F)F)nc1 ZINC000253471495 206282634 /nfs/dbraw/zinc/28/26/34/206282634.db2.gz CYVUFUNDOWEACJ-INIZCTEOSA-N 0 0 382.363 3.421 50 0 GGAARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC5(CC(=O)[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C)OCCO5 ZINC000253533966 206283959 /nfs/dbraw/zinc/28/39/59/206283959.db2.gz WFVNJFCMHPDSFZ-NZXNBJABSA-N 0 0 390.520 3.127 50 0 GGAARN COc1ccc(CCNC(=O)NC[C@@](O)(c2ccoc2)c2cccs2)cc1 ZINC000253473335 206283972 /nfs/dbraw/zinc/28/39/72/206283972.db2.gz UGBPQVCFMQTEQY-HXUWFJFHSA-N 0 0 386.473 3.128 50 0 GGAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253499839 206284208 /nfs/dbraw/zinc/28/42/08/206284208.db2.gz PIGIYBRGSJKHQI-RNXKOBMFSA-N 0 0 390.520 3.173 50 0 biogenic GGAARN COc1ccc(CCNC(=O)NC[C@](O)(c2ccoc2)c2cccs2)cc1 ZINC000253473334 206284317 /nfs/dbraw/zinc/28/43/17/206284317.db2.gz UGBPQVCFMQTEQY-FQEVSTJZSA-N 0 0 386.473 3.128 50 0 GGAARN CC(C)Sc1ccc(CC(=O)NCCn2ccc(-c3cnccn3)n2)cc1 ZINC000253473163 206284343 /nfs/dbraw/zinc/28/43/43/206284343.db2.gz RWGYMDGGYBTIHB-UHFFFAOYSA-N 0 0 381.505 3.200 50 0 GGAARN COC(=O)c1ccc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cc1 ZINC000253400389 206283523 /nfs/dbraw/zinc/28/35/23/206283523.db2.gz LFENWGOARSXYQO-UHFFFAOYSA-N 0 0 388.470 3.075 50 0 GGAARN COc1cccc(S(=O)(=O)NC[C@](O)(c2ccsc2)c2cccs2)c1 ZINC000253407776 206283568 /nfs/dbraw/zinc/28/35/68/206283568.db2.gz WTJBUEBHFZTHKS-KRWDZBQOSA-N 0 0 395.527 3.033 50 0 GGAARN O=C(COc1ccc(F)cc1)NC[C@](O)(c1ccsc1)c1cccs1 ZINC000253408842 206283592 /nfs/dbraw/zinc/28/35/92/206283592.db2.gz YUKPKKBMJCTODP-SFHVURJKSA-N 0 0 377.462 3.380 50 0 GGAARN O=C(NCCn1nnc2ccccc2c1=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000253473169 206285006 /nfs/dbraw/zinc/28/50/06/206285006.db2.gz RXMNREXMUVYGML-UHFFFAOYSA-N 0 0 396.878 3.073 50 0 GGAARN COc1ccc(CNC(=O)NCCn2cc(-c3ccccc3)cn2)cc1OC ZINC000253473508 206285023 /nfs/dbraw/zinc/28/50/23/206285023.db2.gz VRYJLXVOIYVDPD-UHFFFAOYSA-N 0 0 380.448 3.067 50 0 GGAARN COC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1cc2cc(C)ccc2[nH]c1=O ZINC000253623679 206284536 /nfs/dbraw/zinc/28/45/36/206284536.db2.gz GAASDCHOMMERFC-CYBMUJFWSA-N 0 0 381.384 3.378 50 0 biogenic GGAARN Cc1cc(OC2CN(C(=O)/C=C/c3ccccc3Cl)C2)cc(=O)n1C1CC1 ZINC000253473159 206284572 /nfs/dbraw/zinc/28/45/72/206284572.db2.gz RUYOFEADBGCKPT-RMKNXTFCSA-N 0 0 384.863 3.448 50 0 GGAARN COc1ccc2c(ccn2CCNC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 ZINC000253623710 206284670 /nfs/dbraw/zinc/28/46/70/206284670.db2.gz IJHTWLTYSXYUKU-UHFFFAOYSA-N 0 0 390.443 3.048 50 0 biogenic GGAARN COCCn1ccc2c1cccc2OCC(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000263587477 206287697 /nfs/dbraw/zinc/28/76/97/206287697.db2.gz HJVLITCCMVRUJQ-UHFFFAOYSA-N 0 0 391.431 3.090 50 0 GGAARN COCCn1ccc2c1cccc2OCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000263587460 206288378 /nfs/dbraw/zinc/28/83/78/206288378.db2.gz HBTQMIWTWSDRAU-UHFFFAOYSA-N 0 0 396.443 3.467 50 0 GGAARN COc1ccc(NC(=O)c2nnn3c2CO[C@@H](c2ccc(C)cc2)C3)cc1OC ZINC000263615516 206289405 /nfs/dbraw/zinc/28/94/05/206289405.db2.gz CTNTWHIMZYKAKH-LJQANCHMSA-N 0 0 394.431 3.128 50 0 GGAARN COc1ccc(-c2cc3n(n2)[C@H](NCc2ccccc2Cl)CNC3=O)cc1 ZINC000263618372 206289424 /nfs/dbraw/zinc/28/94/24/206289424.db2.gz SQIUKZHYLKFALC-IBGZPJMESA-N 0 0 382.851 3.244 50 0 GGAARN Cc1ccc(C(=O)N2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cc1F ZINC000263617338 206289585 /nfs/dbraw/zinc/28/95/85/206289585.db2.gz NGMRRKXIBDWHQO-UHFFFAOYSA-N 0 0 393.466 3.018 50 0 GGAARN COc1ccccc1CN[C@H]1CNC(=O)c2cc(-c3ccc(Cl)cc3)nn21 ZINC000263616743 206289620 /nfs/dbraw/zinc/28/96/20/206289620.db2.gz KHNYZYIZBXCSIP-LJQANCHMSA-N 0 0 382.851 3.244 50 0 GGAARN COc1ccc([C@H]2Cn3nc(-c4nc(-c5ccccn5)no4)cc3CO2)cc1 ZINC000263616787 206288493 /nfs/dbraw/zinc/28/84/93/206288493.db2.gz KNUVGUCWEGBYNN-GOSISDBHSA-N 0 0 375.388 3.275 50 0 GGAARN COc1ccc([C@H]2Cn3cnc(C(=O)NCc4ccc(F)cc4F)c3CO2)cc1 ZINC000263615538 206288592 /nfs/dbraw/zinc/28/85/92/206288592.db2.gz CWHTWTRUJGZNNW-LJQANCHMSA-N 0 0 399.397 3.371 50 0 GGAARN COC(=O)c1cn(CCCn2ccc3ccc(Cl)cc32)cc2c(=O)[nH]nc1-2 ZINC000263588069 206288637 /nfs/dbraw/zinc/28/86/37/206288637.db2.gz OSBJBRTUXRWAIU-UHFFFAOYSA-N 0 0 384.823 3.161 50 0 GGAARN COc1cccc(-c2cc3n(n2)[C@H](NCc2ccc(Cl)cc2)CNC3=O)c1 ZINC000263616628 206288706 /nfs/dbraw/zinc/28/87/06/206288706.db2.gz JUVKGNRGVUAEJU-IBGZPJMESA-N 0 0 382.851 3.244 50 0 GGAARN CCc1ccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)cc1 ZINC000263617702 206288713 /nfs/dbraw/zinc/28/87/13/206288713.db2.gz PFCGIISNZUWEKV-IBGZPJMESA-N 0 0 380.423 3.181 50 0 GGAARN CCOc1ccc([C@H](O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 ZINC000263618435 206288753 /nfs/dbraw/zinc/28/87/53/206288753.db2.gz SYTYRTSEPLQVRY-OAQYLSRUSA-N 0 0 393.418 3.434 50 0 GGAARN CCC(CC)c1nc(CN2C3=C(C(=O)OC3)[C@@H](c3cccs3)NC2=O)no1 ZINC000263618463 206288784 /nfs/dbraw/zinc/28/87/84/206288784.db2.gz TXEPUXANERSADG-OAHLLOKOSA-N 0 0 388.449 3.112 50 0 GGAARN COc1cccc(-c2cc3n(n2)[C@@H](NCc2ccc(Cl)cc2)CNC3=O)c1 ZINC000263616629 206288858 /nfs/dbraw/zinc/28/88/58/206288858.db2.gz JUVKGNRGVUAEJU-LJQANCHMSA-N 0 0 382.851 3.244 50 0 GGAARN O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1cccc(Cl)c1 ZINC000263619009 206290342 /nfs/dbraw/zinc/29/03/42/206290342.db2.gz WMHFNOOVLQDKNE-UHFFFAOYSA-N 0 0 383.810 3.496 50 0 GGAARN CCc1ccc(CN[C@H]2CNC(=O)c3cc(-c4cccc(OC)c4)nn32)cc1 ZINC000263619087 206290348 /nfs/dbraw/zinc/29/03/48/206290348.db2.gz WVGCSPAPDNSSDZ-OAQYLSRUSA-N 0 0 376.460 3.153 50 0 GGAARN O=C(CSc1nc2ccccc2s1)OCN1C(=O)c2ccccc2C1=O ZINC000000856938 206290358 /nfs/dbraw/zinc/29/03/58/206290358.db2.gz OQKOCGODQHRJPW-UHFFFAOYSA-N 0 0 384.438 3.185 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4cc(C)cc(C)c4)c3CO2)cc1 ZINC000263618870 206290436 /nfs/dbraw/zinc/29/04/36/206290436.db2.gz VWYFAWSDZKWYJT-LJQANCHMSA-N 0 0 378.432 3.427 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc(C)cc4C)c3CO2)cc1 ZINC000263619005 206290471 /nfs/dbraw/zinc/29/04/71/206290471.db2.gz WLRYOZCJZLKHRT-IBGZPJMESA-N 0 0 378.432 3.427 50 0 GGAARN O=c1c2c(CO)c(-c3cccc(F)c3)nn2ccn1Cc1cccc(Cl)c1 ZINC000263619562 206290628 /nfs/dbraw/zinc/29/06/28/206290628.db2.gz ZGUXEQGGYLOCFJ-UHFFFAOYSA-N 0 0 383.810 3.496 50 0 GGAARN CCc1ccccc1NC(=O)c1nnn2c1CO[C@H](c1ccc(OC)cc1)C2 ZINC000263618554 206290687 /nfs/dbraw/zinc/29/06/87/206290687.db2.gz UIGWYHDOCZLDAB-IBGZPJMESA-N 0 0 378.432 3.373 50 0 GGAARN O=C(C[C@H](c1ccsc1)n1cccc1)NCCn1cnc2ccccc2c1=O ZINC000263587904 206289782 /nfs/dbraw/zinc/28/97/82/206289782.db2.gz MQFSTOXLMBVLRD-LJQANCHMSA-N 0 0 392.484 3.055 50 0 GGAARN CCOc1ccc(NC(=O)c2nnn3c2CO[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000263619650 206290211 /nfs/dbraw/zinc/29/02/11/206290211.db2.gz ZTSNPZPBDRSRTL-LJQANCHMSA-N 0 0 394.431 3.209 50 0 GGAARN COC(=O)COc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)OC)cc1)c2=O ZINC000002100697 206292065 /nfs/dbraw/zinc/29/20/65/206292065.db2.gz PXJLGLLFCMXQNO-UHFFFAOYSA-N 0 0 398.367 3.232 50 0 biogenic GGAARN COc1ccc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)c(OC)c1 ZINC000002024154 206292069 /nfs/dbraw/zinc/29/20/69/206292069.db2.gz FUJQTYWNQCPIGB-NVNXTCNLSA-N 0 0 399.399 3.074 50 0 biogenic GGAARN COc1ccc(-c2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1 ZINC000002437423 206292072 /nfs/dbraw/zinc/29/20/72/206292072.db2.gz QWDDAJDLPVJVQX-UHFFFAOYSA-N 0 0 381.384 3.300 50 0 biogenic GGAARN Cc1oc2cc(OCC(N)=O)ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000001135787 206291112 /nfs/dbraw/zinc/29/11/12/206291112.db2.gz VMMTYCLQUKIFPA-UHFFFAOYSA-N 0 0 388.217 3.395 50 0 GGAARN CCc1ccccc1NC(=O)c1nnn2c1CO[C@@H](c1ccc(OC)cc1)C2 ZINC000263618555 206291203 /nfs/dbraw/zinc/29/12/03/206291203.db2.gz UIGWYHDOCZLDAB-LJQANCHMSA-N 0 0 378.432 3.373 50 0 GGAARN COc1cccc(CN[C@@H]2CNC(=O)c3cc(-c4ccc(Cl)cc4)nn32)c1 ZINC000263618588 206291279 /nfs/dbraw/zinc/29/12/79/206291279.db2.gz UMWDJKDFBNRPOI-IBGZPJMESA-N 0 0 382.851 3.244 50 0 GGAARN CCc1ccc(CN[C@@H]2CNC(=O)c3cc(-c4cccc(OC)c4)nn32)cc1 ZINC000263619086 206291365 /nfs/dbraw/zinc/29/13/65/206291365.db2.gz WVGCSPAPDNSSDZ-NRFANRHFSA-N 0 0 376.460 3.153 50 0 GGAARN COc1ccc(Oc2c(C)oc3cc(OS(C)(=O)=O)ccc3c2=O)cc1 ZINC000002413551 206292187 /nfs/dbraw/zinc/29/21/87/206292187.db2.gz AEOMEHPVAPKRDN-UHFFFAOYSA-N 0 0 376.386 3.241 50 0 biogenic GGAARN COc1ccccc1-c1coc2cc(OC(=O)N3CCOCC3)ccc2c1=O ZINC000002424450 206292245 /nfs/dbraw/zinc/29/22/45/206292245.db2.gz JNZZTADBAUPBLB-UHFFFAOYSA-N 0 0 381.384 3.300 50 0 GGAARN COc1cccc(Oc2c(C)oc3cc(OS(C)(=O)=O)ccc3c2=O)c1 ZINC000002423575 206292320 /nfs/dbraw/zinc/29/23/20/206292320.db2.gz YZFVPPMOYICOGU-UHFFFAOYSA-N 0 0 376.386 3.241 50 0 biogenic GGAARN COC(=O)COc1ccc2c(C)c(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 ZINC000004340178 206293689 /nfs/dbraw/zinc/29/36/89/206293689.db2.gz OCUANXLJNQPTOY-UHFFFAOYSA-N 0 0 384.384 3.337 50 0 biogenic GGAARN Cc1c(C)c2ccc(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2oc1=O ZINC000004073557 206294041 /nfs/dbraw/zinc/29/40/41/206294041.db2.gz XLNLCLWTBKGAEG-DGGJZMOXSA-N 0 0 399.487 3.331 50 0 biogenic GGAARN CN1c2ccc(Br)cc2[C@]2(NCCc3c4ccccc4[nH]c32)C1=O ZINC000020064199 206295888 /nfs/dbraw/zinc/29/58/88/206295888.db2.gz JAYMFVKDUPYNNJ-LJQANCHMSA-N 0 0 382.261 3.296 50 0 biogenic GGAARN Cc1[nH]nc(-c2ccc(OCCN3CCOCC3)cc2O)c1-c1ccccc1 ZINC000020412700 206296207 /nfs/dbraw/zinc/29/62/07/206296207.db2.gz FTRVUPBKDDFGRL-UHFFFAOYSA-N 0 0 379.460 3.469 50 0 GGAARN COc1ccc2c(c1)[nH]c1c2CCN[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000019899739 206296563 /nfs/dbraw/zinc/29/65/63/206296563.db2.gz QMHZDTMWKBEVIS-LJQANCHMSA-N 0 0 398.260 3.280 50 0 biogenic GGAARN Cc1cnc(NC(=O)CCNC(=O)N2CCc3c4ccccc4[nH]c3C2)s1 ZINC000012390591 206294648 /nfs/dbraw/zinc/29/46/48/206294648.db2.gz XVWUXKYFAIIQQM-UHFFFAOYSA-N 0 0 383.477 3.029 50 0 biogenic GGAARN COCCN1COc2ccc3c(=O)c(Oc4ccccc4OC)coc3c2C1 ZINC000012442495 206294690 /nfs/dbraw/zinc/29/46/90/206294690.db2.gz QTPFPWJNBPFNTG-UHFFFAOYSA-N 0 0 383.400 3.392 50 0 biogenic GGAARN O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)Nc1ccc2[nH]ccc2c1 ZINC000012296336 206295176 /nfs/dbraw/zinc/29/51/76/206295176.db2.gz NNBDBXFVTXOQDT-UHFFFAOYSA-N 0 0 387.443 3.356 50 0 biogenic GGAARN COc1ccc(-c2c[nH]nc2-c2ccc(OCCN3CCOCC3)cc2O)cc1 ZINC000020590709 206297474 /nfs/dbraw/zinc/29/74/74/206297474.db2.gz QQDGGSDXLVCXIM-UHFFFAOYSA-N 0 0 395.459 3.169 50 0 GGAARN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c1C ZINC000031206178 206303957 /nfs/dbraw/zinc/30/39/57/206303957.db2.gz DESKNFBAYXABAT-UHFFFAOYSA-N 0 0 386.448 3.024 50 0 biogenic GGAARN CC(=O)c1ccc(N2C(=O)C[C@@H](N3CCc4c5ccccc5[nH]c4C3)C2=O)cc1 ZINC000030903918 206304122 /nfs/dbraw/zinc/30/41/22/206304122.db2.gz XGKRSADYVTYRTO-OAQYLSRUSA-N 0 0 387.439 3.061 50 0 biogenic GGAARN COc1cccc(C[C@H]2CC(=O)N(c3ccc4c(C)cc(=O)oc4c3)C2=O)c1 ZINC000100291882 206304273 /nfs/dbraw/zinc/30/42/73/206304273.db2.gz SXZFSVZQAKMZGP-HNNXBMFYSA-N 0 0 377.396 3.232 50 0 biogenic GGAARN COc1ccc(-c2c(C)oc3cc(OCCN4CCOCC4)ccc3c2=O)cc1 ZINC000024171925 206299397 /nfs/dbraw/zinc/29/93/97/206299397.db2.gz LSNUGQLZLCTSTC-UHFFFAOYSA-N 0 0 395.455 3.488 50 0 GGAARN O=C(NCc1ccc(Cl)cc1)NC[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000009067024 206306545 /nfs/dbraw/zinc/30/65/45/206306545.db2.gz ULKGSIBDXOIGLS-INIZCTEOSA-N 0 0 389.858 3.327 50 0 GGAARN COc1cc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(OC)c1 ZINC000009040039 206306625 /nfs/dbraw/zinc/30/66/25/206306625.db2.gz FPJAUJUWGDDDAV-ZDUSSCGKSA-N 0 0 387.411 3.018 50 0 GGAARN O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)N1CCCC1)c1ccc2c(c1)OCO2 ZINC000009103434 206306877 /nfs/dbraw/zinc/30/68/77/206306877.db2.gz CYODNHZVKYIYOJ-CYBMUJFWSA-N 0 0 399.472 3.166 50 0 GGAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2C ZINC000009165747 206306895 /nfs/dbraw/zinc/30/68/95/206306895.db2.gz JYTVPCPUCUGKLC-UHFFFAOYSA-N 0 0 392.452 3.316 50 0 GGAARN COc1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC ZINC000009040437 206307043 /nfs/dbraw/zinc/30/70/43/206307043.db2.gz IXFYULPWIQCQIA-HNNXBMFYSA-N 0 0 383.448 3.187 50 0 GGAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C ZINC000009169959 206307304 /nfs/dbraw/zinc/30/73/04/206307304.db2.gz DWFIFXXSZMIWNA-UHFFFAOYSA-N 0 0 388.489 3.486 50 0 GGAARN CN1c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2OCC(C)(C)C1=O ZINC000009169841 206307328 /nfs/dbraw/zinc/30/73/28/206307328.db2.gz OJTQRGAPLQVQEZ-UHFFFAOYSA-N 0 0 378.425 3.008 50 0 GGAARN COc1cccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1OC ZINC000009040502 206307350 /nfs/dbraw/zinc/30/73/50/206307350.db2.gz BTPUISNPGBPTSE-HNNXBMFYSA-N 0 0 383.448 3.187 50 0 GGAARN CC1(C)COc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2NC1=O ZINC000009173867 206307397 /nfs/dbraw/zinc/30/73/97/206307397.db2.gz KZPAGEYCLAZMEU-UHFFFAOYSA-N 0 0 378.425 3.125 50 0 GGAARN CN(C)C(=O)CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1 ZINC000000624510 206308010 /nfs/dbraw/zinc/30/80/10/206308010.db2.gz AOHKNDNWPWYCNA-UHFFFAOYSA-N 0 0 397.481 3.277 50 0 GGAARN Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000000623841 206308037 /nfs/dbraw/zinc/30/80/37/206308037.db2.gz PUEGJKHCUWJIGD-SNVBAGLBSA-N 0 0 387.530 3.407 50 0 GGAARN COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(C)nn3C)nc21 ZINC000009200782 206308173 /nfs/dbraw/zinc/30/81/73/206308173.db2.gz BKKCZOCKYGOIKA-ZDUSSCGKSA-N 0 0 386.477 3.173 50 0 GGAARN O=C(Cn1cnc2cc(Cl)ccc2c1=O)Nc1ccc(Br)cc1 ZINC000000624897 206308253 /nfs/dbraw/zinc/30/82/53/206308253.db2.gz AKGSLTLTWVYULA-UHFFFAOYSA-N 0 0 392.640 3.451 50 0 GGAARN CC(C)(C)C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000000623499 206308332 /nfs/dbraw/zinc/30/83/32/206308332.db2.gz KHLJQYQAIVTYDX-UHFFFAOYSA-N 0 0 389.443 3.401 50 0 GGAARN O=C(c1cccc2ccccc21)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000000899815 206331314 /nfs/dbraw/zinc/33/13/14/206331314.db2.gz ZFQSTYJKFQHSPL-UHFFFAOYSA-N 0 0 394.496 3.128 50 0 GGAARN Cn1ncnc1COc1nn2c(cc1C(C)(C)C)nnc2-c1cc(F)ccc1F ZINC000000602652 206308823 /nfs/dbraw/zinc/30/88/23/206308823.db2.gz BQDUNOMMYOKHEP-UHFFFAOYSA-N 0 0 399.405 3.075 50 0 in-vitro GGAARN Cc1ccc(NC[C@@H](O)Cn2cnc3ccc(Cl)c(Cl)c3c2=O)cc1 ZINC000000629745 206308943 /nfs/dbraw/zinc/30/89/43/206308943.db2.gz SLTYGFXOPNTLQL-CYBMUJFWSA-N 0 0 378.259 3.485 50 0 GGAARN COc1ccc(CCNC(=O)CSc2nnc3sc4ccccc4n23)cc1 ZINC000000632148 206308960 /nfs/dbraw/zinc/30/89/60/206308960.db2.gz VEMJUKRESRAROC-UHFFFAOYSA-N 0 0 398.513 3.404 50 0 GGAARN Cc1c(N2C(=O)CS[C@@H]2c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000627256 206309152 /nfs/dbraw/zinc/30/91/52/206309152.db2.gz RAWJNFXZMAULQH-HXUWFJFHSA-N 0 0 383.448 3.402 50 0 GGAARN CCOc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 ZINC000000628097 206309155 /nfs/dbraw/zinc/30/91/55/206309155.db2.gz BCKRONPPZBYSIY-IBGZPJMESA-N 0 0 390.505 3.335 50 0 GGAARN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@H]1c1ccc(F)cc1 ZINC000000632665 206309166 /nfs/dbraw/zinc/30/91/66/206309166.db2.gz JGLLFSVHTMTVCX-OAHLLOKOSA-N 0 0 381.359 3.190 50 0 GGAARN CCOc1ccccc1N(CC(=O)Nc1c(C)cc(C)cc1C)S(C)(=O)=O ZINC000000628061 206309474 /nfs/dbraw/zinc/30/94/74/206309474.db2.gz YFVJEKCCWIRBIZ-UHFFFAOYSA-N 0 0 390.505 3.415 50 0 GGAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(O)cc1Cl ZINC000000632287 206309518 /nfs/dbraw/zinc/30/95/18/206309518.db2.gz LTAAGTOFOOWLPL-UHFFFAOYSA-N 0 0 379.840 3.407 50 0 GGAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc(OC)c1OC ZINC000000628727 206310044 /nfs/dbraw/zinc/31/00/44/206310044.db2.gz HIXWVISJHQNRKA-UHFFFAOYSA-N 0 0 389.448 3.065 50 0 GGAARN COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccccc2F)c(OC)c1 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CCOc1ccc(C(=O)N2CCCN(C(=O)c3ccc(OCC)cc3)CC2)cc1 ZINC000000994066 206339225 /nfs/dbraw/zinc/33/92/25/206339225.db2.gz LBEADUIZJVSPSH-UHFFFAOYSA-N 0 0 396.487 3.472 50 0 GGAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1 ZINC000000991952 206339370 /nfs/dbraw/zinc/33/93/70/206339370.db2.gz WXNREZCEMPAHJY-UHFFFAOYSA-N 0 0 376.434 3.011 50 0 GGAARN CC(=O)Nc1ccc(C(=O)NCC(=O)OCc2ccc(Cl)cc2Cl)cc1 ZINC000000993113 206339386 /nfs/dbraw/zinc/33/93/86/206339386.db2.gz XPHZGKPPTVZCDB-UHFFFAOYSA-N 0 0 395.242 3.425 50 0 GGAARN O=C(CN1C(=O)c2ccccc2C1=O)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000000991331 206340110 /nfs/dbraw/zinc/34/01/10/206340110.db2.gz KWNZIXVVFDMMEM-UHFFFAOYSA-N 0 0 385.375 3.119 50 0 GGAARN COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1OC(C)C ZINC000001006066 206340723 /nfs/dbraw/zinc/34/07/23/206340723.db2.gz PVKUEISMQBYVJK-CXUHLZMHSA-N 0 0 393.461 3.470 50 0 GGAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2Cl)n1N)c1ccccc1 ZINC000001008587 206340830 /nfs/dbraw/zinc/34/08/30/206340830.db2.gz 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ZINC000001018104 206341901 /nfs/dbraw/zinc/34/19/01/206341901.db2.gz DENHZBZPVYJYLW-HXUWFJFHSA-N 0 0 396.443 3.157 50 0 GGAARN O=C1C[C@H](n2nc(-c3ccccc3)n(-c3ccccc3)c2=S)[C@H]2CO[C@@H]1O2 ZINC000001024850 206341996 /nfs/dbraw/zinc/34/19/96/206341996.db2.gz BGZJVJOLKCRHGM-KVSKMBFKSA-N 0 0 379.441 3.326 50 0 GGAARN CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(N)cc1 ZINC000001019434 206342011 /nfs/dbraw/zinc/34/20/11/206342011.db2.gz MNHRHDOTTZUTHW-UHFFFAOYSA-N 0 0 395.488 3.481 50 0 GGAARN Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NC[C@@H]2CCCO2)cc1C ZINC000001010176 206342037 /nfs/dbraw/zinc/34/20/37/206342037.db2.gz KWHHTDPNMFEVLE-DAQNXSASSA-N 0 0 384.501 3.431 50 0 GGAARN Cn1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cn1 ZINC000001012073 206342114 /nfs/dbraw/zinc/34/21/14/206342114.db2.gz UUWKOTQZNLQYJT-UHFFFAOYSA-N 0 0 390.852 3.127 50 0 GGAARN COc1cccc2cc(C(=O)Nc3nnc(-c4ccc5c(c4)OCO5)o3)oc21 ZINC000009701734 206342509 /nfs/dbraw/zinc/34/25/09/206342509.db2.gz XATCTFHNWMTWMZ-UHFFFAOYSA-N 0 0 379.328 3.472 50 0 GGAARN Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NC[C@H]2CCCO2)cc1C ZINC000001010174 206342559 /nfs/dbraw/zinc/34/25/59/206342559.db2.gz KWHHTDPNMFEVLE-MIQLPHMESA-N 0 0 384.501 3.431 50 0 GGAARN COc1cccc(-n2c(C)nc3ccc(I)cc3c2=O)c1 ZINC000001017241 206342597 /nfs/dbraw/zinc/34/25/97/206342597.db2.gz VTNZQISEUFAUGN-UHFFFAOYSA-N 0 0 392.196 3.307 50 0 GGAARN O=S(=O)(c1ccccc1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001029189 206343003 /nfs/dbraw/zinc/34/30/03/206343003.db2.gz VPSYQDWJNBWFSX-UHFFFAOYSA-N 0 0 393.921 3.461 50 0 GGAARN COC(=O)c1cc(NC(=O)c2c(C)cc(C)cc2C)ccc1N1CCOCC1 ZINC000001029001 206343145 /nfs/dbraw/zinc/34/31/45/206343145.db2.gz RUFDUKFFHPSENB-UHFFFAOYSA-N 0 0 382.460 3.487 50 0 GGAARN Cc1nnsc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)n1C1CC1 ZINC000001033912 206343163 /nfs/dbraw/zinc/34/31/63/206343163.db2.gz NJLLLIIQTDGUCU-UHFFFAOYSA-N 0 0 390.469 3.310 50 0 GGAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1nn(-c3ccccc3)nc1C)CC2 ZINC000001032984 206343317 /nfs/dbraw/zinc/34/33/17/206343317.db2.gz LIHFMUDPMNDPBC-OAHLLOKOSA-N 0 0 392.459 3.352 50 0 GGAARN CCOC(=O)c1cc(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2o1 ZINC000001033455 206343352 /nfs/dbraw/zinc/34/33/52/206343352.db2.gz TUBABVYRJGHQFI-UHFFFAOYSA-N 0 0 385.347 3.126 50 0 GGAARN Cc1oc(S(=O)(=O)N2CCCC2)cc1-c1nc(-c2ccc(F)cc2)no1 ZINC000001030197 206343454 /nfs/dbraw/zinc/34/34/54/206343454.db2.gz CANJFFAOIQAGGH-UHFFFAOYSA-N 0 0 377.397 3.229 50 0 GGAARN CCCc1cnc(N2CCN(C(=O)c3c(C)onc3-c3ccccc3)CC2)nc1 ZINC000001032975 206343516 /nfs/dbraw/zinc/34/35/16/206343516.db2.gz HPUBGISKGDSGQH-UHFFFAOYSA-N 0 0 391.475 3.355 50 0 GGAARN Cc1cc(C)c(-n2nnnc2SCC(=O)c2ccc3c(c2)OCO3)c(C)c1 ZINC000001029983 206343567 /nfs/dbraw/zinc/34/35/67/206343567.db2.gz FUTJJXMPICRQHW-UHFFFAOYSA-N 0 0 382.445 3.291 50 0 GGAARN O=C(CSc1nnc2sc3ccccc3n12)NC(=O)Nc1ccccc1 ZINC000001036116 206344615 /nfs/dbraw/zinc/34/46/15/206344615.db2.gz HZUNZHLVQMEASD-UHFFFAOYSA-N 0 0 383.458 3.384 50 0 GGAARN COc1ccc2cc(C(=O)c3cc4ccc(OC)cc4oc3=O)c(=O)oc2c1 ZINC000001036878 206344945 /nfs/dbraw/zinc/34/49/45/206344945.db2.gz KCURVNYQRJVWPY-UHFFFAOYSA-N 0 0 378.336 3.148 50 0 biogenic GGAARN COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)ccc1Cl ZINC000001050223 206345464 /nfs/dbraw/zinc/34/54/64/206345464.db2.gz NLMKDUOCFRQVFV-UHFFFAOYSA-N 0 0 394.924 3.476 50 0 GGAARN COc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000001050117 206345575 /nfs/dbraw/zinc/34/55/75/206345575.db2.gz CJVDHBGGAZDVFD-UHFFFAOYSA-N 0 0 393.461 3.090 50 0 GGAARN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccnc3)cc2)cc1 ZINC000001049595 206345633 /nfs/dbraw/zinc/34/56/33/206345633.db2.gz IPQRELWJKVDKEG-UHFFFAOYSA-N 0 0 397.456 3.168 50 0 GGAARN Cc1cccc(NS(=O)(=O)c2cc3cccc4c3c(c2)C(=O)NC4=O)c1C ZINC000001049458 206345770 /nfs/dbraw/zinc/34/57/70/206345770.db2.gz QSFOOFKCIHGFEP-UHFFFAOYSA-N 0 0 380.425 3.141 50 0 GGAARN O=C(NCCC1=CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000001049370 206346211 /nfs/dbraw/zinc/34/62/11/206346211.db2.gz PCQSIGAJUPIATP-KRWDZBQOSA-N 0 0 394.512 3.233 50 0 GGAARN COc1ccc(OC)c(C(=O)CSc2nnc(Cc3cccs3)n2C)c1 ZINC000001058060 206346533 /nfs/dbraw/zinc/34/65/33/206346533.db2.gz XOGUOBVVSIKJTP-UHFFFAOYSA-N 0 0 389.502 3.460 50 0 GGAARN Cc1c(Cl)cccc1NC(=O)C(=O)Nc1cc2c3c(c1)CCC(=O)N3CC2 ZINC000009708602 206346562 /nfs/dbraw/zinc/34/65/62/206346562.db2.gz XVDMOAYJRIHWJG-UHFFFAOYSA-N 0 0 383.835 3.061 50 0 GGAARN Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)sc1-c1ccccc1 ZINC000001053838 206346582 /nfs/dbraw/zinc/34/65/82/206346582.db2.gz SBPIRTILGFETMH-UHFFFAOYSA-N 0 0 386.498 3.301 50 0 GGAARN COc1cc(/C=c2\sc3nc4c(cc(C)cc4C)n3c2=O)cc(OC)c1OC ZINC000001061539 206346629 /nfs/dbraw/zinc/34/66/29/206346629.db2.gz QPGKCBDWLLTOPT-YVLHZVERSA-N 0 0 396.468 3.100 50 0 GGAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(N2CCOCC2)o1 ZINC000001052759 206346875 /nfs/dbraw/zinc/34/68/75/206346875.db2.gz ZSPDUDIDHYJAKX-UHFFFAOYSA-N 0 0 384.457 3.319 50 0 GGAARN NS(=O)(=O)c1ccc(CCNC(=O)c2cc3c(s2)CCCCCC3)cc1 ZINC000001053811 206346988 /nfs/dbraw/zinc/34/69/88/206346988.db2.gz BTYQFTZGMGWERM-UHFFFAOYSA-N 0 0 392.546 3.027 50 0 GGAARN O=S(=O)(c1ccc(Br)cc1Br)N1CCCCC1 ZINC000001056657 206347182 /nfs/dbraw/zinc/34/71/82/206347182.db2.gz FVQWDFMBXGVSSW-UHFFFAOYSA-N 0 0 383.105 3.386 50 0 GGAARN O=c1n(Cc2ccccc2F)n(Cc2ccccc2F)c(=O)n1-c1ccccc1 ZINC000001067947 206347913 /nfs/dbraw/zinc/34/79/13/206347913.db2.gz NBYJKLLIDDDJJJ-UHFFFAOYSA-N 0 0 393.393 3.176 50 0 GGAARN COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3cccc(Cl)c3)n2)cc1 ZINC000001068100 206348213 /nfs/dbraw/zinc/34/82/13/206348213.db2.gz WQBQCNYKLPBZKJ-LBPRGKRZSA-N 0 0 387.823 3.482 50 0 GGAARN CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 ZINC000001141672 206358272 /nfs/dbraw/zinc/35/82/72/206358272.db2.gz RLWFMLFVYYAAOA-UHFFFAOYSA-N 0 0 386.502 3.036 50 0 GGAARN O=C1C[C@@H](N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1Cc1cccs1 ZINC000001067923 206348351 /nfs/dbraw/zinc/34/83/51/206348351.db2.gz HNDWFGSXQQWWHK-QGZVFWFLSA-N 0 0 395.484 3.396 50 0 GGAARN O=S(=O)(c1ccc(Oc2ccc(Br)cc2)cc1)N1CCOCC1 ZINC000001068918 206348386 /nfs/dbraw/zinc/34/83/86/206348386.db2.gz XBAUMYOXZJAJBD-UHFFFAOYSA-N 0 0 398.278 3.262 50 0 GGAARN O=C(Nc1cc(C(=O)N2CCOCC2)ccc1N1CCCC1)c1ccccc1 ZINC000001066085 206348603 /nfs/dbraw/zinc/34/86/03/206348603.db2.gz YSTGMTCDLAYUPK-UHFFFAOYSA-N 0 0 379.460 3.012 50 0 GGAARN NC(=O)C1CCN(Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)CC1 ZINC000001066840 206348787 /nfs/dbraw/zinc/34/87/87/206348787.db2.gz PFBXQKWHGVAFQE-UHFFFAOYSA-N 0 0 393.516 3.225 50 0 GGAARN CN(C(=S)NC(=O)c1ccccc1I)c1ccccc1 ZINC000001071436 206348880 /nfs/dbraw/zinc/34/88/80/206348880.db2.gz MDDORRAPFYDDIW-UHFFFAOYSA-N 0 0 396.253 3.442 50 0 GGAARN COc1cccc2cc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)c(=O)oc21 ZINC000001075350 206349230 /nfs/dbraw/zinc/34/92/30/206349230.db2.gz LDMLBNIERGFFLG-UHFFFAOYSA-N 0 0 392.455 3.381 50 0 GGAARN COc1ccc2[nH]c(C)c(CCNC(=O)Cn3nc(C(F)(F)F)cc3C)c2c1 ZINC000001072367 206349401 /nfs/dbraw/zinc/34/94/01/206349401.db2.gz CNFQCVMUQYNKMD-UHFFFAOYSA-N 0 0 394.397 3.368 50 0 GGAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCCCC1 ZINC000001078890 206349520 /nfs/dbraw/zinc/34/95/20/206349520.db2.gz ZOEMKXSVDULZFV-UHFFFAOYSA-N 0 0 376.453 3.034 50 0 GGAARN CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1CC)CCCC3 ZINC000001076581 206349544 /nfs/dbraw/zinc/34/95/44/206349544.db2.gz YXXXFGOOFPRCEM-UHFFFAOYSA-N 0 0 379.551 3.317 50 0 GGAARN COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1=O ZINC000001072401 206349592 /nfs/dbraw/zinc/34/95/92/206349592.db2.gz VFGDEHXXCSYGBH-INIZCTEOSA-N 0 0 396.443 3.252 50 0 GGAARN COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000001076186 206349598 /nfs/dbraw/zinc/34/95/98/206349598.db2.gz IMDRPQBGDQZUFC-UHFFFAOYSA-N 0 0 381.215 3.149 50 0 GGAARN COc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C ZINC000001073022 206349636 /nfs/dbraw/zinc/34/96/36/206349636.db2.gz UUGFMGLDRZQGGT-UHFFFAOYSA-N 0 0 388.533 3.440 50 0 GGAARN COCc1cc(C)nc2sc3c(nnn(-c4cccc5cccnc54)c3=O)c21 ZINC000001079400 206349701 /nfs/dbraw/zinc/34/97/01/206349701.db2.gz VKPQFFVQZXKQKQ-UHFFFAOYSA-N 0 0 389.440 3.393 50 0 GGAARN CNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000001074624 206349707 /nfs/dbraw/zinc/34/97/07/206349707.db2.gz XHVHEAMCWXHKPR-UHFFFAOYSA-N 0 0 387.288 3.243 50 0 GGAARN C[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000001077813 206349739 /nfs/dbraw/zinc/34/97/39/206349739.db2.gz AWEBLLMMBHQXQZ-SNVBAGLBSA-N 0 0 388.823 3.411 50 0 GGAARN O=C(Nc1cc(Cl)ccc1O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000001075188 206349768 /nfs/dbraw/zinc/34/97/68/206349768.db2.gz GRZNJWNQXQKQQL-UHFFFAOYSA-N 0 0 394.880 3.473 50 0 GGAARN CCN(CC(=O)Nc1cccc(OC)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000001079243 206349840 /nfs/dbraw/zinc/34/98/40/206349840.db2.gz GELYIRMFVRTPDR-UHFFFAOYSA-N 0 0 398.484 3.498 50 0 GGAARN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2c(C)cccc2C)CC1 ZINC000001074446 206350137 /nfs/dbraw/zinc/35/01/37/206350137.db2.gz 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/nfs/dbraw/zinc/16/82/64/207168264.db2.gz XOODNMCTKNFQHX-UHFFFAOYSA-N 0 0 397.402 3.308 50 0 GGAARN O=C(/C=C/c1ccccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019866774 207168309 /nfs/dbraw/zinc/16/83/09/207168309.db2.gz NYAFUNLQYDWRAV-SOFGYWHQSA-N 0 0 384.863 3.426 50 0 GGAARN COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccccc1)CO3 ZINC000019882336 207168407 /nfs/dbraw/zinc/16/84/07/207168407.db2.gz ORIXZHZFROOQEB-UHFFFAOYSA-N 0 0 379.412 3.169 50 0 biogenic GGAARN Cc1cc(N2C(=O)C[C@H](N3CCC(c4nc5ccccc5s4)CC3)C2=O)no1 ZINC000019874347 207168464 /nfs/dbraw/zinc/16/84/64/207168464.db2.gz MAAFYGBTMCQWFS-HNNXBMFYSA-N 0 0 396.472 3.104 50 0 GGAARN Cc1noc(C)c1NC(=O)N1CCC[C@H](Cn2cc(Cc3ccccc3)nn2)C1 ZINC000019787219 207160325 /nfs/dbraw/zinc/16/03/25/207160325.db2.gz MQTIELZWYOZMDD-SFHVURJKSA-N 0 0 394.479 3.418 50 0 GGAARN O=C(/C=C/c1ccccn1)N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000019788349 207160757 /nfs/dbraw/zinc/16/07/57/207160757.db2.gz USLWOFACNAMKRT-DYLHUKMJSA-N 0 0 376.382 3.294 50 0 GGAARN CCOc1ccc(CN2CCN(Cc3cccc(F)c3F)C[C@@H]2CCO)cc1 ZINC000019782248 207160905 /nfs/dbraw/zinc/16/09/05/207160905.db2.gz JIBZAFMICJAXAZ-IBGZPJMESA-N 0 0 390.474 3.432 50 0 GGAARN COc1ccc(OCC(=O)N2CCN(Cc3ccc(SC)cc3)CC2)cc1 ZINC000019790281 207160964 /nfs/dbraw/zinc/16/09/64/207160964.db2.gz IANFAWRINGMQRZ-UHFFFAOYSA-N 0 0 386.517 3.140 50 0 GGAARN CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCCN1CCOCC1 ZINC000019791957 207161338 /nfs/dbraw/zinc/16/13/38/207161338.db2.gz RKBDCXQBGRXUCC-UHFFFAOYSA-N 0 0 377.872 3.117 50 0 GGAARN CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCCN1CCOCC1 ZINC000019792101 207161699 /nfs/dbraw/zinc/16/16/99/207161699.db2.gz GOJQDOOXPLTUBX-UHFFFAOYSA-N 0 0 377.872 3.117 50 0 GGAARN Cc1nc(CN(C)C(=O)C2(N3C[C@@H](C)O[C@@H](C)C3)Cc3ccccc3C2)cs1 ZINC000019782096 207161747 /nfs/dbraw/zinc/16/17/47/207161747.db2.gz FDZAWLUSIHUOLJ-IYBDPMFKSA-N 0 0 399.560 3.057 50 0 GGAARN Cc1cc(CC(=O)N2CCC[C@@H]2c2ccc(C(=O)NC(C)(C)C)s2)on1 ZINC000019782075 207161871 /nfs/dbraw/zinc/16/18/71/207161871.db2.gz 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ZINC000019796882 207163245 /nfs/dbraw/zinc/16/32/45/207163245.db2.gz RSRBVFMXKKCLSN-UHFFFAOYSA-N 0 0 385.518 3.251 50 0 GGAARN COC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)nc1 ZINC000019812736 207163250 /nfs/dbraw/zinc/16/32/50/207163250.db2.gz JWIYGXZMMVAFFZ-QGZVFWFLSA-N 0 0 382.395 3.251 50 0 GGAARN Cc1ccccc1N1C(=O)C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C1=O ZINC000019792810 207163558 /nfs/dbraw/zinc/16/35/58/207163558.db2.gz XWCSGSMNVNBSAL-UHFFFAOYSA-N 0 0 395.890 3.136 50 0 GGAARN C[C@@H]1Oc2ccc(-c3csc(NC(=O)c4ccncc4)n3)cc2N(C)C1=O ZINC000019796691 207163615 /nfs/dbraw/zinc/16/36/15/207163615.db2.gz YONLCRDBNQGSOY-NSHDSACASA-N 0 0 380.429 3.201 50 0 GGAARN C[C@H]1Oc2ccc(-c3csc(NC(=O)c4cccnc4)n3)cc2N(C)C1=O ZINC000019796694 207163656 /nfs/dbraw/zinc/16/36/56/207163656.db2.gz REWLPCQTPNUKJQ-LLVKDONJSA-N 0 0 380.429 3.201 50 0 GGAARN CCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 ZINC000019821115 207164116 /nfs/dbraw/zinc/16/41/16/207164116.db2.gz FUCPKMDQNCGFLZ-OAHLLOKOSA-N 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207164710 /nfs/dbraw/zinc/16/47/10/207164710.db2.gz SOSLRAJISDJVDD-GFCCVEGCSA-N 0 0 383.835 3.061 50 0 GGAARN CCc1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000019831551 207164724 /nfs/dbraw/zinc/16/47/24/207164724.db2.gz GNZJRCIUOZBXMP-UHFFFAOYSA-N 0 0 378.925 3.409 50 0 GGAARN CCN(C(=O)CCc1sc(C)nc1-c1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000019819548 207164913 /nfs/dbraw/zinc/16/49/13/207164913.db2.gz FKFNIBNXBZRROL-CYBMUJFWSA-N 0 0 398.575 3.148 50 0 GGAARN Cc1ccc(S(=O)(=O)N2CCN(CCOc3ccccc3Cl)CC2)cc1 ZINC000019831758 207165159 /nfs/dbraw/zinc/16/51/59/207165159.db2.gz WXOMILLZGFHDPU-UHFFFAOYSA-N 0 0 394.924 3.034 50 0 GGAARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@H]1C(=O)Nc1ccccc1 ZINC000019819128 207165267 /nfs/dbraw/zinc/16/52/67/207165267.db2.gz VGJCYXDBTWOAEH-QGZVFWFLSA-N 0 0 382.391 3.264 50 0 GGAARN O=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000019859604 207165498 /nfs/dbraw/zinc/16/54/98/207165498.db2.gz JAVSLXVITPKAFN-HNNXBMFYSA-N 0 0 398.956 3.331 50 0 GGAARN Cc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)N1CCCCCC1)S2 ZINC000020060425 207176044 /nfs/dbraw/zinc/17/60/44/207176044.db2.gz HULVCQBMBCYTOK-CVEARBPZSA-N 0 0 391.928 3.402 50 0 GGAARN c1coc([C@@H]2NC3=NCN(Cc4ccccc4)CN3c3nc4ccccc4n32)c1 ZINC000020101807 207177304 /nfs/dbraw/zinc/17/73/04/207177304.db2.gz LVAPOMPJCVSGBI-HXUWFJFHSA-N 0 0 384.443 3.373 50 0 GGAARN COc1ccc(NC(=O)[C@@H](C)n2nc(-c3ccccc3)ccc2=O)c(OC)c1 ZINC000020095751 207177494 /nfs/dbraw/zinc/17/74/94/207177494.db2.gz MSPSGOBRMQBHCJ-CQSZACIVSA-N 0 0 379.416 3.127 50 0 GGAARN CC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020109663 207177550 /nfs/dbraw/zinc/17/75/50/207177550.db2.gz UHBUJZWLXOOYSH-FQEVSTJZSA-N 0 0 388.895 3.105 50 0 GGAARN O=c1c2cnc3nc(-c4ccc(Cl)cc4)nn3c2ccn1Cc1ccccn1 ZINC000020102154 207177675 /nfs/dbraw/zinc/17/76/75/207177675.db2.gz FDHWBWYRMNMFGH-UHFFFAOYSA-N 0 0 388.818 3.203 50 0 GGAARN COC(=O)C1CCN(C(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000020100624 207177724 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379.368 3.361 50 0 GGAARN CC(C)C[C@@H](C(=O)Nc1ccc2c(c1)COC2=O)N1Cc2ccccc2C1=O ZINC000085878169 208102212 /nfs/dbraw/zinc/10/22/12/208102212.db2.gz FDXJAQGQXISWAQ-IBGZPJMESA-N 0 0 378.428 3.366 50 0 biogenic GGAARN COc1cc(C2=NN(C(C)=O)[C@@H](c3ccc4c(c3)OCO4)C2)cc(OC)c1OC ZINC000078546276 208063860 /nfs/dbraw/zinc/06/38/60/208063860.db2.gz WUKUUKVKCGFXPU-MRXNPFEDSA-N 0 0 398.415 3.139 50 0 GGAARN CC1(C)C[C@H](NC(=O)c2cn(Cc3ccccn3)c(=O)c3ccccc23)CCO1 ZINC000079188670 208072531 /nfs/dbraw/zinc/07/25/31/208072531.db2.gz KRJQAYKLTSAQKJ-MRXNPFEDSA-N 0 0 391.471 3.132 50 0 biogenic GGAARN Cc1c(C)c2cc(Cl)c(OCC(=O)NCCc3ccccn3)cc2oc1=O ZINC000079482116 208074397 /nfs/dbraw/zinc/07/43/97/208074397.db2.gz RASOXJFVYMSQER-UHFFFAOYSA-N 0 0 386.835 3.196 50 0 GGAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc(OC)c1OC ZINC000079493089 208074590 /nfs/dbraw/zinc/07/45/90/208074590.db2.gz BGYSGJRDYSOXKS-OXQOHEQNSA-N 0 0 396.395 3.266 50 0 GGAARN Cc1c(-c2nn3c(Cc4cccc(OC(F)(F)F)c4)nnc3s2)cnn1C ZINC000079485216 208074709 /nfs/dbraw/zinc/07/47/09/208074709.db2.gz ORYBPSAWUHJNOK-UHFFFAOYSA-N 0 0 394.382 3.384 50 0 GGAARN COc1ccc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)c(OC)c1 ZINC000079475428 208074716 /nfs/dbraw/zinc/07/47/16/208074716.db2.gz GXFFVHSSLIOWTH-UHFFFAOYSA-N 0 0 393.399 3.242 50 0 GGAARN CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)NCC(=O)OC)C12CCCCC2 ZINC000079464462 208074737 /nfs/dbraw/zinc/07/47/37/208074737.db2.gz GVWXFALHHOBWLY-BEFAXECRSA-N 0 0 386.492 3.017 50 0 GGAARN Cc1nn(C)c(C)c1Cc1ccc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)cc1 ZINC000079477131 208074759 /nfs/dbraw/zinc/07/47/59/208074759.db2.gz JDBIIZBPQDBTHI-NRFANRHFSA-N 0 0 388.471 3.441 50 0 GGAARN Cc1cc(C)nc(SCc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)o2)n1 ZINC000079479824 208074799 /nfs/dbraw/zinc/07/47/99/208074799.db2.gz RUXQQJVFTVQPSS-UHFFFAOYSA-N 0 0 382.445 3.330 50 0 GGAARN CCOC(=O)Cn1nc(C)c2c1NC(=O)CS[C@@H]2c1ccc(F)cc1F ZINC000079464516 208075338 /nfs/dbraw/zinc/07/53/38/208075338.db2.gz QTTFAIMFWXGIAS-MRXNPFEDSA-N 0 0 381.404 3.457 50 0 GGAARN COc1ccc(Cc2nc(NC(=O)CCc3cn(C)c4ccccc34)n[nH]2)cc1 ZINC000079491992 208075518 /nfs/dbraw/zinc/07/55/18/208075518.db2.gz LMIJGJQJLPPDOP-UHFFFAOYSA-N 0 0 389.459 3.467 50 0 GGAARN COc1ccccc1Cn1cc(C(=O)Nc2cnn(C)c2)c2ccccc2c1=O ZINC000079484132 208075626 /nfs/dbraw/zinc/07/56/26/208075626.db2.gz DBPDKCJFPNPQLS-UHFFFAOYSA-N 0 0 388.427 3.044 50 0 GGAARN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](c1cccs1)SCC(=O)N2 ZINC000079480786 208075807 /nfs/dbraw/zinc/07/58/07/208075807.db2.gz HYCPOPUNAJWTID-QMTHXVAHSA-N 0 0 383.520 3.037 50 0 GGAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1nnc(CC(C)C)[nH]1 ZINC000079502257 208076331 /nfs/dbraw/zinc/07/63/31/208076331.db2.gz WNUATQWRMJPFQR-UHFFFAOYSA-N 0 0 391.479 3.387 50 0 GGAARN CC[C@H](CCS(=O)(=O)c1ccccc1)NC(=O)COc1c(C)cccc1C ZINC000080345755 208076754 /nfs/dbraw/zinc/07/67/54/208076754.db2.gz WQXRXQJTVZUHNN-GOSISDBHSA-N 0 0 389.517 3.441 50 0 GGAARN O=C(c1csc(-c2cccs2)n1)N1CCNC(=O)[C@@H]1c1cccc(F)c1 ZINC000082083751 208077236 /nfs/dbraw/zinc/07/72/36/208077236.db2.gz PQNJCJLZDPPYAV-HNNXBMFYSA-N 0 0 387.461 3.324 50 0 GGAARN CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1ccc(CC(C)C)s1)CC2 ZINC000082083572 208077318 /nfs/dbraw/zinc/07/73/18/208077318.db2.gz ZVDLYXOFGFRWPS-GOSISDBHSA-N 0 0 378.538 3.234 50 0 GGAARN c1ccc2c(c1)nnn2Cc1nnc2sc(C34CC5CC(CC(C5)C3)C4)nn12 ZINC000080346521 208077564 /nfs/dbraw/zinc/07/75/64/208077564.db2.gz GOKGYAWCWBSWRX-UHFFFAOYSA-N 0 0 391.504 3.447 50 0 GGAARN CC[C@@H](CCS(=O)(=O)c1ccccc1)NC(=O)COc1c(C)cccc1C ZINC000080345751 208077812 /nfs/dbraw/zinc/07/78/12/208077812.db2.gz WQXRXQJTVZUHNN-SFHVURJKSA-N 0 0 389.517 3.441 50 0 GGAARN O=C(CC1CCCCC1)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000082092152 208078091 /nfs/dbraw/zinc/07/80/91/208078091.db2.gz FRWPTSGIBIFUHW-JOCHJYFZSA-N 0 0 386.540 3.154 50 0 GGAARN O=C([O-])C1(Oc2ccccc2F)CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000082099009 208078662 /nfs/dbraw/zinc/07/86/62/208078662.db2.gz UNLMNLRTTYYJQF-UHFFFAOYSA-N 0 0 385.395 3.307 50 0 GGAARN Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2ccc3nc(C)cn3c2)n1 ZINC000082115608 208079437 /nfs/dbraw/zinc/07/94/37/208079437.db2.gz HPUJBEUWHWQABS-LLVKDONJSA-N 0 0 379.386 3.233 50 0 GGAARN Cc1cc(-n2cccn2)ccc1-c1nccn1Cc1nnnn1-c1ccccc1 ZINC000082106812 208079965 /nfs/dbraw/zinc/07/99/65/208079965.db2.gz JJLAWBDYZOMKTD-UHFFFAOYSA-N 0 0 382.431 3.068 50 0 GGAARN CC(=O)NCc1cc2n(n1)CCN(Cc1ccc(-c3ccccc3F)cc1)C2 ZINC000082108392 208080154 /nfs/dbraw/zinc/08/01/54/208080154.db2.gz IQKMPHVSZBWNGO-UHFFFAOYSA-N 0 0 378.451 3.341 50 0 GGAARN O=C(c1ccccc1-n1cncn1)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000082121310 208080347 /nfs/dbraw/zinc/08/03/47/208080347.db2.gz OKLXBZGWAJMRAW-INIZCTEOSA-N 0 0 380.423 3.338 50 0 GGAARN CCN1C[C@]2(CCCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C2)CCC1=O ZINC000082109728 208080983 /nfs/dbraw/zinc/08/09/83/208080983.db2.gz WUEWKMUXKNWGTB-IBGZPJMESA-N 0 0 382.426 3.499 50 0 GGAARN CC(=O)N1CC2(C[C@H]1C(=O)[O-])CC[NH+](Cc1oc3ccc(C)cc3c1C)CC2 ZINC000082121323 208081134 /nfs/dbraw/zinc/08/11/34/208081134.db2.gz YLTXBKLSDCKXBV-SFHVURJKSA-N 0 0 384.476 3.337 50 0 GGAARN CCN1C[C@]2(CCCN(C(=O)Cc3c(F)ccc(Cl)c3F)C2)CCC1=O ZINC000082099518 208081201 /nfs/dbraw/zinc/08/12/01/208081201.db2.gz OSZWEPIXZNSBDT-IBGZPJMESA-N 0 0 384.854 3.412 50 0 GGAARN COc1ccc2c(C)c(C(=O)N(C)Cc3nc(-c4ccccn4)no3)oc2c1 ZINC000082136813 208081627 /nfs/dbraw/zinc/08/16/27/208081627.db2.gz CDLPGFRIMFCREV-UHFFFAOYSA-N 0 0 378.388 3.467 50 0 GGAARN CSc1nnc(CC2CCN(C(=O)[C@H]3CCc4ccccc4C3)CC2)n1C ZINC000082134521 208081796 /nfs/dbraw/zinc/08/17/96/208081796.db2.gz YCWPJOJLISQBGM-SFHVURJKSA-N 0 0 384.549 3.123 50 0 GGAARN CN(Cc1nc(-c2ccccn2)no1)C(=O)CCc1nc2ccccc2s1 ZINC000082125894 208082883 /nfs/dbraw/zinc/08/28/83/208082883.db2.gz YCBHBGBDEPFNMC-UHFFFAOYSA-N 0 0 379.445 3.333 50 0 GGAARN CCN1C[C@]2(CCCN(C(=O)COc3ccc(F)c(Cl)c3)C2)CCC1=O ZINC000082170979 208083254 /nfs/dbraw/zinc/08/32/54/208083254.db2.gz UOKMGQDGBOSKNU-IBGZPJMESA-N 0 0 382.863 3.109 50 0 GGAARN COc1ccc(C(C)C)cc1C[NH+]1CCC2(C[C@H](C(=O)[O-])N(C(C)=O)C2)CC1 ZINC000082137222 208083418 /nfs/dbraw/zinc/08/34/18/208083418.db2.gz BOCGLDKYNXTSEM-LJQANCHMSA-N 0 0 388.508 3.106 50 0 GGAARN CCn1cc(-c2nc3cc(S(=O)(=O)NC(C)C)ccc3n2C(C)C)cn1 ZINC000082134843 208083507 /nfs/dbraw/zinc/08/35/07/208083507.db2.gz YTGFHVOOZBMFMA-UHFFFAOYSA-N 0 0 375.498 3.187 50 0 GGAARN CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1cc(Cl)ccc1Cl)CC2 ZINC000082138418 208083601 /nfs/dbraw/zinc/08/36/01/208083601.db2.gz ZMCQBCRXUJNUHY-MRXNPFEDSA-N 0 0 385.291 3.281 50 0 GGAARN CCn1nc(C)c(C[NH+]2CCC(Oc3ccccc3OC)(C(=O)[O-])CC2)c1C ZINC000082126691 208083617 /nfs/dbraw/zinc/08/36/17/208083617.db2.gz RHMKBTSATXOACF-UHFFFAOYSA-N 0 0 387.480 3.027 50 0 GGAARN COc1cccc(CCC(=O)N2CCC[C@@H]2c2nc(-c3ccccn3)no2)c1 ZINC000082138530 208083919 /nfs/dbraw/zinc/08/39/19/208083919.db2.gz QSWXKTLDIAJGMT-GOSISDBHSA-N 0 0 378.432 3.437 50 0 GGAARN CCc1ccc(NC(=O)NCCNc2cc(-n3cnc(C)c3C)ncn2)cc1 ZINC000082230337 208085618 /nfs/dbraw/zinc/08/56/18/208085618.db2.gz LBWFYHRCPUUOCS-UHFFFAOYSA-N 0 0 379.468 3.075 50 0 GGAARN C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(Cc2cnc3ccccn23)C1 ZINC000091526739 208121951 /nfs/dbraw/zinc/12/19/51/208121951.db2.gz MXQYGVOGZUYDLU-QFIPXVFZSA-N 0 0 377.444 3.434 50 0 GGAARN COCC1(NC(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CCCC1 ZINC000091504900 208122385 /nfs/dbraw/zinc/12/23/85/208122385.db2.gz AJKNMDQEDKNYNF-MRXNPFEDSA-N 0 0 378.900 3.154 50 0 GGAARN Cc1nc(C)c(C(=O)N2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)s1 ZINC000091519378 208122486 /nfs/dbraw/zinc/12/24/86/208122486.db2.gz PXRMSMOLQHMTJC-UHFFFAOYSA-N 0 0 398.532 3.200 50 0 GGAARN CCc1ccc(CC(=O)N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cc1 ZINC000091547307 208122493 /nfs/dbraw/zinc/12/24/93/208122493.db2.gz SXODVXMTGVRZBY-OAQYLSRUSA-N 0 0 398.547 3.202 50 0 GGAARN CN(C)c1ccc(CCC(=O)N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000091548518 208123382 /nfs/dbraw/zinc/12/33/82/208123382.db2.gz GAQWNOXCYVPNPS-HSZRJFAPSA-N 0 0 383.536 3.079 50 0 GGAARN Cn1ccnc1CN1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091563353 208123854 /nfs/dbraw/zinc/12/38/54/208123854.db2.gz VHVDGIOROQRQIB-FQEVSTJZSA-N 0 0 378.520 3.181 50 0 GGAARN O=C(N[C@H](Cn1cccn1)c1ccccc1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000091625310 208124725 /nfs/dbraw/zinc/12/47/25/208124725.db2.gz CZJCMCOUZURASS-OAQYLSRUSA-N 0 0 384.439 3.410 50 0 GGAARN O=C(CCCOCc1ccccc1)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000091621525 208124832 /nfs/dbraw/zinc/12/48/32/208124832.db2.gz PANMVTJMHAZPOM-QHCPKHFHSA-N 0 0 384.520 3.377 50 0 GGAARN Cc1cc(=O)[nH]c(C)c1C(=O)N1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000091593502 208124996 /nfs/dbraw/zinc/12/49/96/208124996.db2.gz XRJRPUMOPLMVOJ-JOCHJYFZSA-N 0 0 382.460 3.205 50 0 GGAARN O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000091625309 208125432 /nfs/dbraw/zinc/12/54/32/208125432.db2.gz CZJCMCOUZURASS-NRFANRHFSA-N 0 0 384.439 3.410 50 0 GGAARN CN(Cc1cc(-c2ccccn2)no1)C(=O)c1cc(-c2ccccc2O)n[nH]1 ZINC000091595667 208125737 /nfs/dbraw/zinc/12/57/37/208125737.db2.gz DIVBHBCTBKATEQ-UHFFFAOYSA-N 0 0 375.388 3.105 50 0 GGAARN CCc1nc(CN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cs1 ZINC000091616315 208125971 /nfs/dbraw/zinc/12/59/71/208125971.db2.gz WSBHFGYHPXIGFQ-QGZVFWFLSA-N 0 0 377.554 3.089 50 0 GGAARN CCOc1ccccc1CN1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000091586689 208126321 /nfs/dbraw/zinc/12/63/21/208126321.db2.gz OHMGNRBGXNSTKI-UHFFFAOYSA-N 0 0 382.508 3.104 50 0 GGAARN O=C(c1ccncc1)N1CCC2(CC(=O)N(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000091595524 208126515 /nfs/dbraw/zinc/12/65/15/208126515.db2.gz YVSPOZIMQNCNPQ-UHFFFAOYSA-N 0 0 385.414 3.015 50 0 GGAARN CCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CCC(=O)N(C2CC2)C1 ZINC000091818275 208139516 /nfs/dbraw/zinc/13/95/16/208139516.db2.gz OFXRAXXUQYCPCW-INIZCTEOSA-N 0 0 386.492 3.334 50 0 GGAARN COc1cccc(C(=O)N2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)c1 ZINC000091807591 208139535 /nfs/dbraw/zinc/13/95/35/208139535.db2.gz SDSZIJUTTWACQC-UHFFFAOYSA-N 0 0 393.487 3.135 50 0 GGAARN 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208542148 /nfs/dbraw/zinc/54/21/48/208542148.db2.gz TXHRFNCFBRYSCT-KRWDZBQOSA-N 0 0 392.459 3.090 50 0 GGAARN Cc1ccc(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)cc1 ZINC000004327619 208542289 /nfs/dbraw/zinc/54/22/89/208542289.db2.gz CUSIMLFTQJGTEW-UHFFFAOYSA-N 0 0 376.445 3.226 50 0 GGAARN CC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3ccccn3)nn2)c1 ZINC000004358067 208542376 /nfs/dbraw/zinc/54/23/76/208542376.db2.gz LDHBKHWXHHYRKV-UHFFFAOYSA-N 0 0 379.445 3.228 50 0 GGAARN CC(C)Cn1c(-c2ccccc2)cn2c3c(nc21)n(C)c(=O)n(CC(C)C)c3=O ZINC000004370800 208542497 /nfs/dbraw/zinc/54/24/97/208542497.db2.gz NDMVVUXLYICXQK-UHFFFAOYSA-N 0 0 393.491 3.128 50 0 GGAARN COc1ccc(N2C[C@@H](NC(=O)Nc3cc(Cl)ccc3OC)CC2=O)cc1 ZINC000004373583 208543306 /nfs/dbraw/zinc/54/33/06/208543306.db2.gz ZUTCPJDBLNZDEG-ZDUSSCGKSA-N 0 0 389.839 3.284 50 0 GGAARN Cc1cc(Cl)cc2sc(NC(=O)CN3C(=O)c4ccccc4C3=O)nc21 ZINC000004331141 208544099 /nfs/dbraw/zinc/54/40/99/208544099.db2.gz KDKHRKJSPLVSTF-UHFFFAOYSA-N 0 0 385.832 3.493 50 0 GGAARN Cc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O ZINC000004479106 208544455 /nfs/dbraw/zinc/54/44/55/208544455.db2.gz RGOHKAMJPCHOMN-UHFFFAOYSA-N 0 0 393.834 3.183 50 0 GGAARN O=C(CSc1ccc(-c2ccccc2)nn1)NCc1ccc2c(c1)OCO2 ZINC000004355383 208545054 /nfs/dbraw/zinc/54/50/54/208545054.db2.gz LPBJKCJMAORNSJ-UHFFFAOYSA-N 0 0 379.441 3.281 50 0 GGAARN O=C(CSc1ccc(-c2ccc(F)cc2)nn1)NCc1ccc2c(c1)OCO2 ZINC000004356394 208545152 /nfs/dbraw/zinc/54/51/52/208545152.db2.gz CQZBDVZVZDJRLQ-UHFFFAOYSA-N 0 0 397.431 3.420 50 0 GGAARN O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)Nc1ccccc1 ZINC000004553890 208545331 /nfs/dbraw/zinc/54/53/31/208545331.db2.gz ZWOLZURMHWOXJP-SFHVURJKSA-N 0 0 387.505 3.442 50 0 GGAARN O=c1c(=O)n(-c2ccc(Br)cc2)ccn1Cc1ccccc1Cl ZINC000004569887 208545582 /nfs/dbraw/zinc/54/55/82/208545582.db2.gz CLMJFSSURSSXLQ-UHFFFAOYSA-N 0 0 391.652 3.463 50 0 GGAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000004497065 208545594 /nfs/dbraw/zinc/54/55/94/208545594.db2.gz 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208676306 /nfs/dbraw/zinc/67/63/06/208676306.db2.gz YOXVSUACKBLSRH-DIBVOSKASA-N 0 0 383.469 3.361 50 0 GGAARN COC(=O)c1ccc(NC(=O)Cc2c(C)c3ccc(OC)cc3oc2=O)cc1 ZINC000006623902 208680323 /nfs/dbraw/zinc/68/03/23/208680323.db2.gz GLBOMKMZUGAUMP-UHFFFAOYSA-N 0 0 381.384 3.078 50 0 biogenic GGAARN NC(=O)C1CCN(C(=O)CCSCc2ccc(Cl)c(Cl)c2)CC1 ZINC000006730460 208681114 /nfs/dbraw/zinc/68/11/14/208681114.db2.gz LGKPCRQFDJVHED-UHFFFAOYSA-N 0 0 375.321 3.341 50 0 GGAARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000006747568 208685122 /nfs/dbraw/zinc/68/51/22/208685122.db2.gz LDWWYNFOYYEOEE-GFCCVEGCSA-N 0 0 378.416 3.096 50 0 GGAARN COc1ccc2c(C)c(CCC(=O)NC[C@@H](O)c3ccccc3)c(=O)oc2c1C ZINC000008791158 208697908 /nfs/dbraw/zinc/69/79/08/208697908.db2.gz XNWQASIUGBKPAV-LJQANCHMSA-N 0 0 395.455 3.201 50 0 biogenic GGAARN Cc1c(S(=O)(=O)CCNC(=O)Nc2ccccc2C)c2ccccc2n1C ZINC000008808517 208698164 /nfs/dbraw/zinc/69/81/64/208698164.db2.gz PMVFNHCAOGFRQL-UHFFFAOYSA-N 0 0 385.489 3.391 50 0 GGAARN COc1cccc(NC(=O)NCCS(=O)(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000008923856 208699801 /nfs/dbraw/zinc/69/98/01/208699801.db2.gz AXFTWDIVYDMHKF-UHFFFAOYSA-N 0 0 387.461 3.080 50 0 GGAARN COc1ccc(CNC(=O)NC[C@H]2CN(c3cccc(Cl)c3)C(=O)O2)cc1 ZINC000008839591 208699980 /nfs/dbraw/zinc/69/99/80/208699980.db2.gz FUWYJQIWZVUWLL-KRWDZBQOSA-N 0 0 389.839 3.173 50 0 GGAARN Cc1cc2nc(N3CCN(S(=O)(=O)c4cccs4)CC3)sc2c(C)c1 ZINC000008967137 208700064 /nfs/dbraw/zinc/70/00/64/208700064.db2.gz IZOYPETZGZZAHI-UHFFFAOYSA-N 0 0 393.559 3.486 50 0 GGAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)ccc1O ZINC000008843901 208700381 /nfs/dbraw/zinc/70/03/81/208700381.db2.gz PPDLJHPVKDADHZ-IBGZPJMESA-N 0 0 397.500 3.449 50 0 GGAARN CC(C)C(=O)N1CCc2ccc(NS(=O)(=O)CCc3ccccc3)cc2C1 ZINC000008977097 208702290 /nfs/dbraw/zinc/70/22/90/208702290.db2.gz RTULJBBKFBMKOI-UHFFFAOYSA-N 0 0 386.517 3.212 50 0 GGAARN Cc1csc2nc(C)c(NC(=O)Cc3ccc(Br)cc3)c(=O)n12 ZINC000008931860 208702316 /nfs/dbraw/zinc/70/23/16/208702316.db2.gz RTBUYDHESPKWCL-UHFFFAOYSA-N 0 0 392.278 3.317 50 0 GGAARN Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)n(-c2nc(C)cc(=O)[nH]2)n1 ZINC000007419283 208688748 /nfs/dbraw/zinc/68/87/48/208688748.db2.gz CUDQTBDNNFMUGP-UHFFFAOYSA-N 0 0 399.454 3.421 50 0 GGAARN CC(=O)Nc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)c2)cc1 ZINC000007573887 208690434 /nfs/dbraw/zinc/69/04/34/208690434.db2.gz MNRPXLJMIDNTQZ-UHFFFAOYSA-N 0 0 379.391 3.246 50 0 GGAARN O=C(c1ccc(COc2ccccc2)cc1)N1CCCN(C(=O)C2CC2)CC1 ZINC000158440707 208704696 /nfs/dbraw/zinc/70/46/96/208704696.db2.gz UCIYVRRXFDVZJA-UHFFFAOYSA-N 0 0 378.472 3.350 50 0 GGAARN COC(=O)c1ccccc1NC(=O)c1cccc(I)c1 ZINC000000682247 208705395 /nfs/dbraw/zinc/70/53/95/208705395.db2.gz BUFDQRDPGJVADZ-UHFFFAOYSA-N 0 0 381.169 3.330 50 0 GGAARN COC(=O)Cn1c2ccccc2s/c1=N\C(=O)COc1ccc(Cl)cc1 ZINC000100876280 208705581 /nfs/dbraw/zinc/70/55/81/208705581.db2.gz BXVRWZYWJHLNCP-ZZEZOPTASA-N 0 0 390.848 3.036 50 0 GGAARN COCCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccco1 ZINC000100872528 208707166 /nfs/dbraw/zinc/70/71/66/208707166.db2.gz IPMRAZNHKWHKBV-ICFOKQHNSA-N 0 0 381.251 3.446 50 0 GGAARN O=C(Nc1ccc(Cl)cc1)Nc1c2ccccc2nc(=O)n1C[C@H]1CCCO1 ZINC000101113766 208708539 /nfs/dbraw/zinc/70/85/39/208708539.db2.gz CDBSIXMNKNMZRF-ZLNYZARCSA-N 0 0 398.850 3.295 50 0 GGAARN CCOC(=O)Cn1c2ccc(SC)cc2s/c1=N\C(=O)c1cc(C)no1 ZINC000101315380 208710385 /nfs/dbraw/zinc/71/03/85/208710385.db2.gz MPNWVPBEKFHJPW-ZCXUNETKSA-N 0 0 391.474 3.025 50 0 GGAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2ncc(C(N)=O)c2N1 ZINC000101509404 208710703 /nfs/dbraw/zinc/71/07/03/208710703.db2.gz WCVNYSYOHDSZPH-GOSISDBHSA-N 0 0 391.406 3.049 50 0 GGAARN O=C(Nc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1)N1CCCC1 ZINC000006703279 208724572 /nfs/dbraw/zinc/72/45/72/208724572.db2.gz ODHFAXVDIHZQNX-UHFFFAOYSA-N 0 0 381.404 3.393 50 0 GGAARN CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccco1 ZINC000008392011 208725648 /nfs/dbraw/zinc/72/56/48/208725648.db2.gz IWNAFCUECNQEIT-LLVKDONJSA-N 0 0 386.433 3.406 50 0 GGAARN O=C(Cn1ccc2ccccc21)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 ZINC000109069834 208726056 /nfs/dbraw/zinc/72/60/56/208726056.db2.gz VKVLKFQOXWCTPF-MSOLQXFVSA-N 0 0 393.512 3.177 50 0 GGAARN COc1ccc(-c2ccc3nnc(CNC(=O)c4ccc(C)c(C)c4)n3n2)cc1 ZINC000169778552 208741629 /nfs/dbraw/zinc/74/16/29/208741629.db2.gz ZDICPMBKTXTQBZ-UHFFFAOYSA-N 0 0 387.443 3.347 50 0 GGAARN Cc1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@H](C)CC4)cc1Cl ZINC000169779613 208742480 /nfs/dbraw/zinc/74/24/80/208742480.db2.gz GWEXUSNPMGQPAP-GFCCVEGCSA-N 0 0 384.867 3.221 50 0 GGAARN CCc1cccc(C)c1NC(=O)Cn1ccn2nc3c(c2c1=O)CCCCC3 ZINC000169780650 208742502 /nfs/dbraw/zinc/74/25/02/208742502.db2.gz AWNWLEXISHBWDN-UHFFFAOYSA-N 0 0 378.476 3.274 50 0 GGAARN Cc1ccc(-n2c(=O)[nH]nc2C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000169779821 208742936 /nfs/dbraw/zinc/74/29/36/208742936.db2.gz ITLZZTLVPJYWGS-UHFFFAOYSA-N 0 0 398.413 3.167 50 0 GGAARN Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccccc3)CC2)cc1F ZINC000169779719 208742950 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0 0 390.324 3.485 50 0 GGAARN CO[C@@H](CNS(=O)(=O)c1ccccc1Br)c1ccc(C)s1 ZINC000096104807 209009486 /nfs/dbraw/zinc/00/94/86/209009486.db2.gz IWRSNBDRHRUNAK-LBPRGKRZSA-N 0 0 390.324 3.485 50 0 GGAARN CO[C@@H](CNS(=O)(=O)c1ccccc1Br)c1ccccc1C ZINC000096105089 209009490 /nfs/dbraw/zinc/00/94/90/209009490.db2.gz PYTWNFQZJFJORE-HNNXBMFYSA-N 0 0 384.295 3.424 50 0 GGAARN COC(=O)N1CCc2ccc(NS(=O)(=O)Cc3cc(F)ccc3F)cc2C1 ZINC000096096319 209009805 /nfs/dbraw/zinc/00/98/05/209009805.db2.gz OHCCLBJISFKSOI-UHFFFAOYSA-N 0 0 396.415 3.031 50 0 GGAARN Cc1noc(C)c1CC(=O)NCC1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000096120398 209009876 /nfs/dbraw/zinc/00/98/76/209009876.db2.gz BBSXZHFANRHETC-UHFFFAOYSA-N 0 0 395.459 3.249 50 0 GGAARN CC(C)NC(=O)Cn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2 ZINC000096115058 209009962 /nfs/dbraw/zinc/00/99/62/209009962.db2.gz YAEURNQVSKFDBP-UHFFFAOYSA-N 0 0 386.455 3.099 50 0 biogenic GGAARN Cn1cc([C@H](O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000096096514 209010055 /nfs/dbraw/zinc/01/00/55/209010055.db2.gz DNHMSVZENSDWHN-QGZVFWFLSA-N 0 0 398.406 3.209 50 0 GGAARN COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1ccccc1)c1ccc(OC)c(O)c1 ZINC000096116421 209010074 /nfs/dbraw/zinc/01/00/74/209010074.db2.gz VDIGVSGRDZVFIQ-OAHLLOKOSA-N 0 0 382.416 3.115 50 0 biogenic GGAARN COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1ccccc1)c1ccc(O)c(OC)c1 ZINC000096116111 209010168 /nfs/dbraw/zinc/01/01/68/209010168.db2.gz IUJNELQRKNPPQP-HNNXBMFYSA-N 0 0 382.416 3.115 50 0 biogenic GGAARN CSc1ccc(/C=C/C(=O)NCC2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000096120519 209010473 /nfs/dbraw/zinc/01/04/73/209010473.db2.gz FNMLDOZBPFAVPN-RMKNXTFCSA-N 0 0 395.528 3.485 50 0 GGAARN CC(C)(C)S[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000096120045 209010582 /nfs/dbraw/zinc/01/05/82/209010582.db2.gz KMUWMUZHEWOICJ-MRXNPFEDSA-N 0 0 396.578 3.217 50 0 GGAARN COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc(OC)c3ccccc32)o1 ZINC000096115068 209010698 /nfs/dbraw/zinc/01/06/98/209010698.db2.gz RVTZPGWGRPUWRO-KRWDZBQOSA-N 0 0 398.411 3.349 50 0 biogenic GGAARN COC(=O)C[C@@H](c1c(Cc2ccccc2)[nH][nH]c1=O)c1ccc(C(=O)OC)cc1 ZINC000096115920 209010899 /nfs/dbraw/zinc/01/08/99/209010899.db2.gz CBKNGKDSJPZORZ-QGZVFWFLSA-N 0 0 394.427 3.188 50 0 biogenic GGAARN O=C(CSc1ccc(F)cc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096122148 209011668 /nfs/dbraw/zinc/01/16/68/209011668.db2.gz HPNXJNWDAMANTF-UHFFFAOYSA-N 0 0 399.896 3.256 50 0 GGAARN Cc1ccc(S(=O)(=O)NCCn2nc(-c3ccncc3)cc2C2CC2)c(C)c1 ZINC000096121679 209011839 /nfs/dbraw/zinc/01/18/39/209011839.db2.gz SBPUPOWJZABFPW-UHFFFAOYSA-N 0 0 396.516 3.418 50 0 GGAARN CC[C@](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)(OC)c1ccccc1 ZINC000096123803 209011882 /nfs/dbraw/zinc/01/18/82/209011882.db2.gz YKJRYTNNEPAEAN-LJQANCHMSA-N 0 0 378.831 3.486 50 0 GGAARN Cc1cc(=O)oc2c1ccc1c2[C@@H](c2cc3cccc4c3n(c2=O)CC4)CC(=O)O1 ZINC000096222771 209011888 /nfs/dbraw/zinc/01/18/88/209011888.db2.gz RSYBEWOGJLRHOL-MRXNPFEDSA-N 0 0 399.402 3.413 50 0 biogenic GGAARN CC[C@@](CNS(=O)(=O)c1ccc(NC(=O)OC)cc1)(OC)c1ccccc1 ZINC000096123792 209011924 /nfs/dbraw/zinc/01/19/24/209011924.db2.gz JZNBHKUASPENJD-IBGZPJMESA-N 0 0 392.477 3.095 50 0 GGAARN CCOc1ccccc1NC(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096122163 209012271 /nfs/dbraw/zinc/01/22/71/209012271.db2.gz NOWVBJAWGADGAR-UHFFFAOYSA-N 0 0 394.880 3.429 50 0 GGAARN O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)Nc1ccc2c(c1)OCO2 ZINC000096121688 209012304 /nfs/dbraw/zinc/01/23/04/209012304.db2.gz PVNGOACHNSQBEP-UHFFFAOYSA-N 0 0 391.431 3.373 50 0 GGAARN CCCc1nnsc1C(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2 ZINC000096121546 209012339 /nfs/dbraw/zinc/01/23/39/209012339.db2.gz KWAPVTLYDTXALX-UHFFFAOYSA-N 0 0 387.431 3.015 50 0 GGAARN COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCO2)c1ccc(O)cc1 ZINC000096222532 209012459 /nfs/dbraw/zinc/01/24/59/209012459.db2.gz ZDQVKGHDIITHNB-QGZVFWFLSA-N 0 0 394.427 3.042 50 0 biogenic GGAARN O=C(c1ccco1)N1CCN(C(=O)c2cccc(Oc3ccccn3)c2)CC1 ZINC000096122688 209012514 /nfs/dbraw/zinc/01/25/14/209012514.db2.gz HYUDFADVXYJHBU-UHFFFAOYSA-N 0 0 377.400 3.065 50 0 GGAARN CC[C@](CNS(=O)(=O)c1ccc(NC(=O)OC)cc1)(OC)c1ccccc1 ZINC000096123791 209012546 /nfs/dbraw/zinc/01/25/46/209012546.db2.gz JZNBHKUASPENJD-LJQANCHMSA-N 0 0 392.477 3.095 50 0 GGAARN CC[C@](CNS(=O)(=O)CCc1ccc(OC)cc1)(OC)c1ccccc1 ZINC000096123777 209012587 /nfs/dbraw/zinc/01/25/87/209012587.db2.gz TYYQLELNLAMIEA-HXUWFJFHSA-N 0 0 377.506 3.109 50 0 GGAARN Cc1cc(=O)oc2c1ccc1c2[C@H](c2cc3cccc4c3n(c2=O)CC4)CC(=O)O1 ZINC000096222769 209012736 /nfs/dbraw/zinc/01/27/36/209012736.db2.gz RSYBEWOGJLRHOL-INIZCTEOSA-N 0 0 399.402 3.413 50 0 biogenic GGAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000096376354 209012947 /nfs/dbraw/zinc/01/29/47/209012947.db2.gz SQIICWRLKDXQGO-UHFFFAOYSA-N 0 0 387.501 3.391 50 0 GGAARN Cc1ccc([C@@H](CNC(=O)c2cccc(Br)c2)OCCO)cc1 ZINC000096337798 209013597 /nfs/dbraw/zinc/01/35/97/209013597.db2.gz FLZPLMKLUAYEKV-QGZVFWFLSA-N 0 0 378.266 3.238 50 0 GGAARN COc1ccc(CCS(=O)(=O)NC[C@](C)(OC)c2cccc(Cl)c2)cc1 ZINC000096392925 209016170 /nfs/dbraw/zinc/01/61/70/209016170.db2.gz BULMCBXAJFBVTJ-IBGZPJMESA-N 0 0 397.924 3.372 50 0 GGAARN COc1ccc(S(=O)(=O)NC[C@](C)(OC)c2cccc(Cl)c2)c(C)c1 ZINC000096392870 209016217 /nfs/dbraw/zinc/01/62/17/209016217.db2.gz VLAJCNMDWJOEDK-SFHVURJKSA-N 0 0 383.897 3.497 50 0 GGAARN CO[C@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)c1cccc(F)c1 ZINC000096388776 209016294 /nfs/dbraw/zinc/01/62/94/209016294.db2.gz FATHQGAWEOZXMZ-OAHLLOKOSA-N 0 0 384.329 3.287 50 0 GGAARN CO[C@@H](CNS(=O)(=O)c1ccc(Br)s1)c1cccc(F)c1 ZINC000096388561 209016395 /nfs/dbraw/zinc/01/63/95/209016395.db2.gz FSKNNDZPHZOGSZ-NSHDSACASA-N 0 0 394.287 3.316 50 0 GGAARN CO[C@@](C)(CNC(=O)C(=O)Nc1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000096393105 209016663 /nfs/dbraw/zinc/01/66/63/209016663.db2.gz VQPOQYLZJNAFBD-SFHVURJKSA-N 0 0 382.794 3.235 50 0 GGAARN Cc1noc([C@@H]2CN(C(=O)c3c[nH]c(=O)c(Cl)c3)C[C@H]2c2ccccc2)n1 ZINC000240068181 209017404 /nfs/dbraw/zinc/01/74/04/209017404.db2.gz SLZCPPBEBBCUDQ-LSDHHAIUSA-N 0 0 384.823 3.155 50 0 GGAARN COc1ccc(NC(=O)CN2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)cc1 ZINC000238997297 209017554 /nfs/dbraw/zinc/01/75/54/209017554.db2.gz ADJOUYZILRHLCE-PWIZWCRZSA-N 0 0 392.455 3.203 50 0 GGAARN COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](Oc2cccc3cccnc32)C1 ZINC000240122727 209018118 /nfs/dbraw/zinc/01/81/18/209018118.db2.gz WIKPRVXRNXBNRA-QGZVFWFLSA-N 0 0 398.484 3.394 50 0 GGAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccn3)[C@H]2C(=O)N1Cc1ccccc1 ZINC000238923551 209018224 /nfs/dbraw/zinc/01/82/24/209018224.db2.gz OTHFPCWDHZPLEZ-NJDAHSKKSA-N 0 0 385.423 3.128 50 0 GGAARN O=C(NCCCc1ccncc1)[C@@H]1CC12CCN(C(=O)C1=CCCCC1)CC2 ZINC000299799100 209090913 /nfs/dbraw/zinc/09/09/13/209090913.db2.gz QLWUBTZKIPHSOF-FQEVSTJZSA-N 0 0 381.520 3.260 50 0 GGAARN COc1ccc([C@@H](NC(=O)Cc2c(C)[nH]c3ccccc32)[C@H]2C[C@@H](O)C2)cn1 ZINC000243892362 209022003 /nfs/dbraw/zinc/02/20/03/209022003.db2.gz AGTJGYNKEOCLQA-ZMPRRUGASA-N 0 0 379.460 3.051 50 0 GGAARN CC(C)(Oc1ccc2c(c1)CCC2)C(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000244678683 209022599 /nfs/dbraw/zinc/02/25/99/209022599.db2.gz IIGKKNLDQSWPNV-WFXMLNOXSA-N 0 0 380.488 3.356 50 0 GGAARN CC[C@@H](NC(=O)c1cn(CC)c2c(F)c(F)c(F)cc2c1=O)c1ccnn1C ZINC000244719169 209023378 /nfs/dbraw/zinc/02/33/78/209023378.db2.gz LYDXBJDRARHUEC-CYBMUJFWSA-N 0 0 392.381 3.053 50 0 GGAARN O=C(CN1CCC[C@H](c2nc(-c3ccccc3)no2)C1)NCc1cccs1 ZINC000244748814 209023701 /nfs/dbraw/zinc/02/37/01/209023701.db2.gz OOVYEVFLFBJUFK-INIZCTEOSA-N 0 0 382.489 3.294 50 0 GGAARN COc1cccc2c1OCCC[N@H+](CCC(=O)Nc1ccsc1C(=O)[O-])C2 ZINC000244794949 209023720 /nfs/dbraw/zinc/02/37/20/209023720.db2.gz QWYRYYZTIRLIDG-UHFFFAOYSA-N 0 0 390.461 3.068 50 0 GGAARN CCCC(=O)c1cn(CC(=O)N(C)Cc2[nH]nc3c2CCC3)c2ccccc12 ZINC000244718967 209023768 /nfs/dbraw/zinc/02/37/68/209023768.db2.gz LUKNYJBNXIBRRE-UHFFFAOYSA-N 0 0 378.476 3.495 50 0 GGAARN COc1cncc([C@@H](NC(=O)CSCc2ccccc2C)[C@H]2C[C@@H](O)C2)c1 ZINC000244723984 209024339 /nfs/dbraw/zinc/02/43/39/209024339.db2.gz MLKYBNOZLMDFMP-CDXJDZJCSA-N 0 0 386.517 3.260 50 0 GGAARN O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1ccc(-n2cccn2)cc1 ZINC000244716006 209024451 /nfs/dbraw/zinc/02/44/51/209024451.db2.gz LGPZSBILYZQIGX-KAGYGMCKSA-N 0 0 389.455 3.049 50 0 GGAARN Cc1ccc(-c2ccccc2C[NH+]2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)o1 ZINC000244718929 209024741 /nfs/dbraw/zinc/02/47/41/209024741.db2.gz LTOKMIOQGGSUNQ-GOSISDBHSA-N 0 0 382.460 3.153 50 0 GGAARN O=C(N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1)c1ccc2c(c1)OCO2 ZINC000244817096 209024751 /nfs/dbraw/zinc/02/47/51/209024751.db2.gz SUHBYPLPIVRWTL-LDBYXDLTSA-N 0 0 376.412 3.206 50 0 GGAARN O=C(N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cnc(CN2CCCC2)s1 ZINC000244873083 209024797 /nfs/dbraw/zinc/02/47/97/209024797.db2.gz WJULXMHNYXJXIV-IIYDPXPESA-N 0 0 377.535 3.042 50 0 GGAARN COc1cncc([C@@H](NC(=O)c2cccc3c(C)c(C)[nH]c32)[C@H]2C[C@@H](O)C2)c1 ZINC000244899431 209025039 /nfs/dbraw/zinc/02/50/39/209025039.db2.gz ZJXMNUUGGAIBGB-NBQZKYEYSA-N 0 0 379.460 3.430 50 0 GGAARN O=C(c1ccccc1-c1ncc[nH]1)N1CCC[C@@]2(C3=CCOCC3)COCC[C@H]12 ZINC000244884344 209025313 /nfs/dbraw/zinc/02/53/13/209025313.db2.gz YKPTVNSBPVQMHI-REWPJTCUSA-N 0 0 393.487 3.435 50 0 GGAARN Cn1ccc2cc([C@H](O)CNS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 ZINC000245093488 209027589 /nfs/dbraw/zinc/02/75/89/209027589.db2.gz RPXMDZTVZITBBF-MRXNPFEDSA-N 0 0 399.299 3.497 50 0 GGAARN Cn1ccc2cc([C@@H](O)CNC(=O)COc3cccc4c3OC(C)(C)C4)ccc21 ZINC000244998780 209027633 /nfs/dbraw/zinc/02/76/33/209027633.db2.gz KSZUDJKNSFORPC-IBGZPJMESA-N 0 0 394.471 3.120 50 0 GGAARN COc1ccccc1/C=C/C=c1/sc2nc(-c3ccc(C)cc3)nn2c1=O ZINC000006477794 220935757 /nfs/dbraw/zinc/93/57/57/220935757.db2.gz XILJSSWGVNKPER-JXGVBEJFSA-N 0 0 375.453 3.348 50 0 GGAARN CC(C)CS(=O)(=O)C1CN(C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000096380196 209014424 /nfs/dbraw/zinc/01/44/24/209014424.db2.gz RGXJMBARYDIRGV-UHFFFAOYSA-N 0 0 386.517 3.241 50 0 GGAARN CO[C@@H](CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 ZINC000096388559 209014889 /nfs/dbraw/zinc/01/48/89/209014889.db2.gz HPOVRFFLQYQMAK-HNNXBMFYSA-N 0 0 393.358 3.390 50 0 GGAARN COc1ccccc1[C@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)OC ZINC000096385252 209015673 /nfs/dbraw/zinc/01/56/73/209015673.db2.gz MFKNHRPLBCHZNP-INIZCTEOSA-N 0 0 396.365 3.156 50 0 GGAARN COc1ccccc1[C@@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)OC ZINC000096385251 209015926 /nfs/dbraw/zinc/01/59/26/209015926.db2.gz MFKNHRPLBCHZNP-MRXNPFEDSA-N 0 0 396.365 3.156 50 0 GGAARN COc1ccc(NC(=O)CCc2c(C)[nH]c3c4c(cccc4F)nn3c2=O)cn1 ZINC000253496468 209044219 /nfs/dbraw/zinc/04/42/19/209044219.db2.gz FFNMVSWOXONQIR-UHFFFAOYSA-N 0 0 395.394 3.011 50 0 GGAARN COc1cccc2c1ccn2CCNC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000253623777 209044723 /nfs/dbraw/zinc/04/47/23/209044723.db2.gz KPXSEFZSLGCGAU-UHFFFAOYSA-N 0 0 390.443 3.048 50 0 GGAARN COc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@H](C)Cc1cccc(C)n1 ZINC000299794007 209090708 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209086258 /nfs/dbraw/zinc/08/62/58/209086258.db2.gz UZYLWOPBAFTCPS-UHFFFAOYSA-N 0 0 375.856 3.246 50 0 GGAARN CN1CCN(c2cccc(NC(=O)N3CCC(c4ccncc4)CC3)c2)C1=O ZINC000299778075 209086293 /nfs/dbraw/zinc/08/62/93/209086293.db2.gz OCJPYLBTVHQQSN-UHFFFAOYSA-N 0 0 379.464 3.365 50 0 GGAARN CN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)Nc1ccccc1OCc1ccccc1)C2 ZINC000299773694 209086488 /nfs/dbraw/zinc/08/64/88/209086488.db2.gz FEKXAYSKAGOBGI-MSOLQXFVSA-N 0 0 379.460 3.350 50 0 GGAARN Cc1ccc(-c2ccnc(-n3ncc(C(=O)NCc4cccc(C)n4)c3C)n2)o1 ZINC000299774818 209086524 /nfs/dbraw/zinc/08/65/24/209086524.db2.gz GONATPSOGSDMMX-UHFFFAOYSA-N 0 0 388.431 3.173 50 0 GGAARN COCCN(Cc1ccccc1F)C(=O)c1cccc(-c2nc(C)n(C)n2)c1 ZINC000299775763 209086775 /nfs/dbraw/zinc/08/67/75/209086775.db2.gz JHHWTWDAHDOMAM-UHFFFAOYSA-N 0 0 382.439 3.218 50 0 GGAARN COc1ccc(C(=O)NC2CC2)cc1NC(=O)N(C)Cc1cc(C(C)C)on1 ZINC000299777666 209086837 /nfs/dbraw/zinc/08/68/37/209086837.db2.gz KIROERNZKVITJY-UHFFFAOYSA-N 0 0 386.452 3.363 50 0 GGAARN COc1ccc(CC2=NO[C@H](CNC(=O)CCC(=O)c3ccccc3)C2)cc1 ZINC000299773185 209086987 /nfs/dbraw/zinc/08/69/87/209086987.db2.gz CYWGSKOKKSQOLD-FQEVSTJZSA-N 0 0 380.444 3.162 50 0 GGAARN COc1ccccc1-n1ccn2c(SCc3ccccc3F)nnc2c1=O ZINC000064593053 222076123 /nfs/dbraw/zinc/07/61/23/222076123.db2.gz MMEGMIBZUPPSFD-UHFFFAOYSA-N 0 0 382.420 3.320 50 0 GGAARN COc1cccc(-n2ccn3c(SCc4cccc(C)c4)nnc3c2=O)c1 ZINC000064593680 222076900 /nfs/dbraw/zinc/07/69/00/222076900.db2.gz JIHJLSSNJMWUJQ-UHFFFAOYSA-N 0 0 378.457 3.490 50 0 GGAARN COc1ccc2c(C)c(CC(=O)Nc3ccnn3C(C)C)c(=O)oc2c1OC ZINC000072325498 222227529 /nfs/dbraw/zinc/22/75/29/222227529.db2.gz FUUIVTVZWSVPKR-UHFFFAOYSA-N 0 0 385.420 3.077 50 0 biogenic GGAARN COc1cc(CNC(=O)N(Cc2nccs2)C2CC2)cc(OC)c1OC ZINC000426593898 533838568 /nfs/dbraw/zinc/83/85/68/533838568.db2.gz XPTPUKOGYKDSIX-UHFFFAOYSA-N 0 0 377.466 3.043 50 0 GGAARN COc1ccccc1CN1CCN(C(=O)NCc2cccc(SC)c2)CC1 ZINC000426477434 534081365 /nfs/dbraw/zinc/08/13/65/534081365.db2.gz 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389.521 3.162 50 0 GGAARN Cc1noc(C)c1CN1CCc2c(C(=O)NCC[C@H]3CCOC3)csc2C1 ZINC000426691345 534361823 /nfs/dbraw/zinc/36/18/23/534361823.db2.gz VGEZSCAGGLVFAU-HNNXBMFYSA-N 0 0 389.521 3.068 50 0 GGAARN Cc1noc(C)c1CN1CCc2c(C(=O)NCc3nccs3)csc2C1 ZINC000426361684 534364384 /nfs/dbraw/zinc/36/43/84/534364384.db2.gz LPQBALDBYIOPCU-UHFFFAOYSA-N 0 0 388.518 3.298 50 0 GGAARN COC(C)(C)C(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@H]1Cc1ccccc1 ZINC000426470504 534418277 /nfs/dbraw/zinc/41/82/77/534418277.db2.gz COAGIVZRQVKFPD-HXUWFJFHSA-N 0 0 380.488 3.207 50 0 GGAARN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2)CC1 ZINC000000724993 519472093 /nfs/dbraw/zinc/47/20/93/519472093.db2.gz PMCHJLAITVYFBJ-UHFFFAOYSA-N 0 0 386.883 3.292 50 0 GGAARN CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)c1 ZINC000027403539 519744507 /nfs/dbraw/zinc/74/45/07/519744507.db2.gz HADIJQUBMIEBNE-UHFFFAOYSA-N 0 0 390.443 3.334 50 0 biogenic GGAARN Cc1noc2nc(C3CC3)cc(C(=O)N(Cc3cocn3)Cc3cocn3)c12 ZINC000426689109 534484062 /nfs/dbraw/zinc/48/40/62/534484062.db2.gz FXLHXQCLTOTZHX-UHFFFAOYSA-N 0 0 379.376 3.227 50 0 GGAARN Cc1ccc2[nH]c(CNC(=O)N3CCC[C@@H](c4nc(C(C)C)no4)C3)nc2c1 ZINC000426465283 534497205 /nfs/dbraw/zinc/49/72/05/534497205.db2.gz TUBMKSGFRBQCMD-CQSZACIVSA-N 0 0 382.468 3.467 50 0 GGAARN CC1(C)C[C@@H](NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)CCO1 ZINC000252460889 520521058 /nfs/dbraw/zinc/52/10/58/520521058.db2.gz IWUHBXDGOYLWOH-BZSNNMDCSA-N 0 0 397.519 3.277 50 0 GGAARN Cc1ccc2[nH]c(CNC(=O)N3CCC[C@@H](OCc4ccccn4)C3)nc2c1 ZINC000426739967 534498602 /nfs/dbraw/zinc/49/86/02/534498602.db2.gz XBXDIKHNABMIGK-QGZVFWFLSA-N 0 0 379.464 3.157 50 0 GGAARN Cc1ccc2nc(CNC(=O)N3CCC(c4nc(C(C)C)no4)CC3)cn2c1 ZINC000426552020 534498715 /nfs/dbraw/zinc/49/87/15/534498715.db2.gz OBDKOKMZFNLIQL-UHFFFAOYSA-N 0 0 382.468 3.238 50 0 GGAARN Cc1[nH]c(=O)c(C(=O)N2CCC(OCc3cccnc3)CC2)c(C)c1Cl ZINC000426677768 534500709 /nfs/dbraw/zinc/50/07/09/534500709.db2.gz RPTRLNRNVFUOCJ-UHFFFAOYSA-N 0 0 375.856 3.274 50 0 GGAARN CCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C)cc3)cc2)CC1 ZINC000000804935 521123860 /nfs/dbraw/zinc/12/38/60/521123860.db2.gz WOEVOWDBSIVHLI-UHFFFAOYSA-N 0 0 381.476 3.071 50 0 GGAARN CCCN(C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)C1=CCCCC1 ZINC000008185111 521420750 /nfs/dbraw/zinc/42/07/50/521420750.db2.gz AILLDKUZEZEZPQ-QHCPKHFHSA-N 0 0 395.503 3.467 50 0 GGAARN Cc1c[nH]c([C@@H](C)NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)n1 ZINC000426488394 534619079 /nfs/dbraw/zinc/61/90/79/534619079.db2.gz UNGRQVPJKCUBAR-CYBMUJFWSA-N 0 0 399.520 3.434 50 0 GGAARN O=C(c1c[nH]nc1-c1ccccc1F)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000426397678 534652424 /nfs/dbraw/zinc/65/24/24/534652424.db2.gz ZBPBKYYIGXRMBJ-MRXNPFEDSA-N 0 0 380.423 3.432 50 0 GGAARN O=C(c1cc(-c2ccc(F)cc2)nc2ccccc21)N1CCN2C(=O)OC[C@@H]2C1 ZINC000426711965 534653475 /nfs/dbraw/zinc/65/34/75/534653475.db2.gz BVBBOEADKBSWKF-INIZCTEOSA-N 0 0 391.402 3.318 50 0 GGAARN COCC(=O)n1nc(NCc2ccc(F)cc2)nc1NCc1ccc(F)cc1 ZINC000004723814 522791587 /nfs/dbraw/zinc/79/15/87/522791587.db2.gz CHZWICUFHHSHLH-UHFFFAOYSA-N 0 0 387.390 3.067 50 0 GGAARN O=C(NCc1ccccc1CN1CCCC1=O)Nc1ccnn1C1CCCC1 ZINC000096140769 534683249 /nfs/dbraw/zinc/68/32/49/534683249.db2.gz OXNUQUDBFTXYIV-UHFFFAOYSA-N 0 0 381.480 3.442 50 0 GGAARN O=C(c1ccc(-c2ncccc2F)cc1)N1CCCN(C(=O)C2CCC2)CC1 ZINC000426477466 534684634 /nfs/dbraw/zinc/68/46/34/534684634.db2.gz XHIJRODEHIUVHA-UHFFFAOYSA-N 0 0 381.451 3.362 50 0 GGAARN Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000426377908 534686138 /nfs/dbraw/zinc/68/61/38/534686138.db2.gz GEEXSXDDWQNFDV-HNNXBMFYSA-N 0 0 382.537 3.405 50 0 GGAARN CCc1ccc(-c2n[nH]c3c2CN(C(=O)c2c(C)cc(=O)oc2C)CC3)cc1 ZINC000023505504 523859311 /nfs/dbraw/zinc/85/93/11/523859311.db2.gz UOBGISJJBVCHPW-UHFFFAOYSA-N 0 0 377.444 3.408 50 0 GGAARN O=C(N[C@@H]1CCOC1)c1ccc(-c2ccc(OCCn3ccnc3)cc2)cc1 ZINC000426382721 534743658 /nfs/dbraw/zinc/74/36/58/534743658.db2.gz NFWRZPZGYFSIAZ-HXUWFJFHSA-N 0 0 377.444 3.148 50 0 GGAARN COc1ccc(CCCNC(=O)c2ccc(N[C@H]3CC[C@H](O)CC3)nc2)cc1 ZINC000244626500 523938057 /nfs/dbraw/zinc/93/80/57/523938057.db2.gz FMXGEMVISCYEIB-WGSAOQKQSA-N 0 0 383.492 3.168 50 0 GGAARN CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000096116990 534764750 /nfs/dbraw/zinc/76/47/50/534764750.db2.gz UUZSDDCAQVPRAS-UHFFFAOYSA-N 0 0 394.450 3.088 50 0 GGAARN Cc1cccc(CCNC(=O)c2ccc3c(c2)[nH]c(=O)n3[C@H]2CC[C@H](O)CC2)c1 ZINC000244734740 524361267 /nfs/dbraw/zinc/36/12/67/524361267.db2.gz NLCBOTPEANNYPD-WGSAOQKQSA-N 0 0 393.487 3.087 50 0 GGAARN COc1ccc(NC(=O)CCC2CCN(C(=O)c3ccncc3)CC2)c(OC)c1 ZINC000095496740 524476456 /nfs/dbraw/zinc/47/64/56/524476456.db2.gz JYFWXBQDIOQMFL-UHFFFAOYSA-N 0 0 397.475 3.370 50 0 GGAARN Cc1ncsc1CCN(C)C(=O)N[C@H](CCn1cncn1)c1ccccc1 ZINC000426711504 534795928 /nfs/dbraw/zinc/79/59/28/534795928.db2.gz ULSFFIWCVNLDPL-QGZVFWFLSA-N 0 0 384.509 3.059 50 0 GGAARN Cc1csc(CCCNC(=O)c2ccc(-c3cc(N(C)C)ncn3)cc2)n1 ZINC000426359544 534802793 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50 0 GGAARN CCOc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1C)S(C)(=O)=O ZINC000001173450 570253695 /nfs/dbraw/zinc/25/36/95/570253695.db2.gz GZIFIYCWYIGMAS-UHFFFAOYSA-N 0 0 396.896 3.452 50 0 GGAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1CC ZINC000002371402 570254240 /nfs/dbraw/zinc/25/42/40/570254240.db2.gz BYMPDOCGAOXUHC-UHFFFAOYSA-N 0 0 383.477 3.490 50 0 GGAARN CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC000048911943 570254989 /nfs/dbraw/zinc/25/49/89/570254989.db2.gz XJUIXLSRLUSUJF-INIZCTEOSA-N 0 0 391.924 3.420 50 0 GGAARN Cc1ccc([C@@H]2c3c(=O)[nH][nH]c3C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000101964890 570256322 /nfs/dbraw/zinc/25/63/22/570256322.db2.gz KIBMSAIFQDESQK-KKLQWCBXSA-N 0 0 392.455 3.222 50 0 GGAARN COc1ccc(CN2CCN(Cc3cccc(F)c3F)C[C@H]2CCO)c(F)c1 ZINC000104316995 570257140 /nfs/dbraw/zinc/25/71/40/570257140.db2.gz ZMBWQPJOWCVBRV-QGZVFWFLSA-N 0 0 394.437 3.181 50 0 GGAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Oc2nccnc2N2CCOCC2)cc1 ZINC000049006046 570257526 /nfs/dbraw/zinc/25/75/26/570257526.db2.gz XYKQZMCJSCQVRH-APWZRJJASA-N 0 0 396.491 3.414 50 0 GGAARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Oc2nccnc2N2CCOCC2)cc1 ZINC000049006048 570257555 /nfs/dbraw/zinc/25/75/55/570257555.db2.gz XYKQZMCJSCQVRH-LPHOPBHVSA-N 0 0 396.491 3.414 50 0 GGAARN COc1ccc(CN2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)cc1C ZINC000104399936 570257884 /nfs/dbraw/zinc/25/78/84/570257884.db2.gz JWIFRQOIUSOZJT-OAQYLSRUSA-N 0 0 390.474 3.351 50 0 GGAARN COc1ccc(-c2noc(-c3nn(-c4cccc(C)c4)ccc3=O)n2)cc1OC ZINC000049006337 570257976 /nfs/dbraw/zinc/25/79/76/570257976.db2.gz HTFZUTWNXKQCFS-UHFFFAOYSA-N 0 0 390.399 3.275 50 0 GGAARN COc1cccc(CN2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)c1 ZINC000104408216 570258008 /nfs/dbraw/zinc/25/80/08/570258008.db2.gz XYLGRCOMCFYPRO-HXUWFJFHSA-N 0 0 376.447 3.042 50 0 GGAARN CCc1ccc(-n2ccc(=O)c(-c3nc(-c4ccc5c(c4)OCO5)no3)n2)cc1 ZINC000049006363 570258061 /nfs/dbraw/zinc/25/80/61/570258061.db2.gz YNDZPAVFLPVCRM-UHFFFAOYSA-N 0 0 388.383 3.241 50 0 GGAARN COC(=O)c1ccccc1NC(=O)CSc1cc(-c2ccncc2)nc(C)n1 ZINC000049007175 570258325 /nfs/dbraw/zinc/25/83/25/570258325.db2.gz WMDWOPFVISCIMQ-UHFFFAOYSA-N 0 0 394.456 3.364 50 0 GGAARN COc1ccc(C[N@H+]2CCN(Cc3ccccc3OC)C[C@H]2CCO)c(C)c1C ZINC000104448572 570258529 /nfs/dbraw/zinc/25/85/29/570258529.db2.gz DEHWMLLFQYODNZ-JOCHJYFZSA-N 0 0 398.547 3.389 50 0 GGAARN Cc1ccccc1NC(=O)Cn1nc2c(SC3CCCCC3)nccn2c1=O ZINC000049008902 570259243 /nfs/dbraw/zinc/25/92/43/570259243.db2.gz FBTKRQZMQXVJKR-UHFFFAOYSA-N 0 0 397.504 3.263 50 0 GGAARN O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)Nc1nc2c(s1)CCCC2 ZINC000049026260 570259561 /nfs/dbraw/zinc/25/95/61/570259561.db2.gz LOEWYBJSONTXGW-UHFFFAOYSA-N 0 0 392.431 3.181 50 0 GGAARN Cc1ccc(CN2CCN(Cc3c[nH]nc3C3CCCCC3)C[C@H]2CCO)o1 ZINC000104520620 570259900 /nfs/dbraw/zinc/25/99/00/570259900.db2.gz PKGSALMHZRJQDZ-HXUWFJFHSA-N 0 0 386.540 3.428 50 0 GGAARN O=C(NCC1(c2ccccc2)CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000054094251 570260692 /nfs/dbraw/zinc/26/06/92/570260692.db2.gz 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GGAARN CSc1ccc(CNC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)cc1 ZINC000049404297 570264959 /nfs/dbraw/zinc/26/49/59/570264959.db2.gz YBWMTJGUMLTQNM-UHFFFAOYSA-N 0 0 399.545 3.410 50 0 GGAARN Cc1cc(C)n(-c2cc(SCC(=O)Nc3cc(F)ccc3F)ncn2)n1 ZINC000049404142 570264976 /nfs/dbraw/zinc/26/49/76/570264976.db2.gz AAFJMYQMAXMJTO-UHFFFAOYSA-N 0 0 375.404 3.288 50 0 GGAARN Cc1ccccc1-c1cc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)[nH]n1 ZINC000049406861 570265132 /nfs/dbraw/zinc/26/51/32/570265132.db2.gz DGLVBWZTACLMDE-UHFFFAOYSA-N 0 0 388.471 3.420 50 0 GGAARN Cc1cccc(C(=O)NC2CCN(C(=O)c3cc(-c4cccs4)n[nH]3)CC2)c1 ZINC000049406554 570265238 /nfs/dbraw/zinc/26/52/38/570265238.db2.gz FMCRMTZFINFXOZ-UHFFFAOYSA-N 0 0 394.500 3.481 50 0 GGAARN Cc1ccsc1-c1nnc(CC(=O)N2CCN(c3cccc(C)c3)CC2)o1 ZINC000049409426 570265762 /nfs/dbraw/zinc/26/57/62/570265762.db2.gz FXGPIHTYLFPESP-UHFFFAOYSA-N 0 0 382.489 3.306 50 0 GGAARN Cc1ccc(Cn2cc(-c3noc(C(=O)Nc4ccc(C)c(F)c4)n3)nn2)cc1 ZINC000049410314 570266197 /nfs/dbraw/zinc/26/61/97/570266197.db2.gz RPKXKTIYQKGEOM-UHFFFAOYSA-N 0 0 392.394 3.385 50 0 GGAARN CCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000049421107 570267309 /nfs/dbraw/zinc/26/73/09/570267309.db2.gz RWCSKXCCBJFMSE-AWEZNQCLSA-N 0 0 382.489 3.004 50 0 GGAARN c1sc(-c2ccccc2)nc1CN1CC(c2nc(-c3ncccn3)no2)C1 ZINC000049483198 570267885 /nfs/dbraw/zinc/26/78/85/570267885.db2.gz QEIBYVYQTOUMLV-UHFFFAOYSA-N 0 0 376.445 3.250 50 0 GGAARN O=C(CN1CC(c2nc(-c3cccs3)no2)C1)NCc1ccccc1Cl ZINC000049484591 570267897 /nfs/dbraw/zinc/26/78/97/570267897.db2.gz JDPIOWWVLZZTSQ-UHFFFAOYSA-N 0 0 388.880 3.167 50 0 GGAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CC(c2nc(-c3ncccn3)no2)C1 ZINC000049483213 570267902 /nfs/dbraw/zinc/26/79/02/570267902.db2.gz JXLXDRUVJHCPQJ-UHFFFAOYSA-N 0 0 391.218 3.465 50 0 GGAARN COC(=O)[C@H](C)NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000049543222 570268416 /nfs/dbraw/zinc/26/84/16/570268416.db2.gz MTCIZIGUYZHOOW-ZDUSSCGKSA-N 0 0 385.416 3.075 50 0 biogenic GGAARN CCCCCOc1ccc(/C=c2/sc3nc(-c4cccnc4)nn3c2=O)cc1 ZINC000001814209 570269040 /nfs/dbraw/zinc/26/90/40/570269040.db2.gz MQVHCBYKRFVGAW-QGOAFFKASA-N 0 0 392.484 3.330 50 0 GGAARN COc1ccc(-c2cc(CC(=O)Nc3ccc4c(c3)OCCO4)no2)cc1OC ZINC000012868266 570269773 /nfs/dbraw/zinc/26/97/73/570269773.db2.gz QIGQPDAIWPAMIR-UHFFFAOYSA-N 0 0 396.399 3.311 50 0 GGAARN COCC(=O)N1CCCc2ccc(NC(=O)c3cc(-c4ccco4)on3)cc21 ZINC000049505812 570270367 /nfs/dbraw/zinc/27/03/67/570270367.db2.gz KFHGBJVVYZGWOY-UHFFFAOYSA-N 0 0 381.388 3.113 50 0 GGAARN CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1cccc(OCc2ccccc2)c1 ZINC000584903308 570270551 /nfs/dbraw/zinc/27/05/51/570270551.db2.gz SHVSDXDKYNCAHR-FQEVSTJZSA-N 0 0 381.476 3.028 50 0 GGAARN Cc1nc(-c2ccc(C(=O)N3CC(Oc4c(C)cccc4C)C3)cc2)nn1C ZINC000584901303 570270814 /nfs/dbraw/zinc/27/08/14/570270814.db2.gz HSXOYXYLFHNECT-UHFFFAOYSA-N 0 0 376.460 3.311 50 0 GGAARN CC(C)Cc1noc([C@H]2CCCN(C(=O)NCc3cc(C(C)C)on3)C2)n1 ZINC000584901362 570270824 /nfs/dbraw/zinc/27/08/24/570270824.db2.gz 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COc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1OC ZINC000005196213 570276748 /nfs/dbraw/zinc/27/67/48/570276748.db2.gz BLWBFCWCTHFMCQ-CQSZACIVSA-N 0 0 389.839 3.284 50 0 GGAARN O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccccn1)OCc1ccccc1 ZINC000002171921 570276891 /nfs/dbraw/zinc/27/68/91/570276891.db2.gz ZQSQNKYPUCKLGR-OAQYLSRUSA-N 0 0 389.455 3.236 50 0 GGAARN CCOc1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)OCC(C)C)cc1OCC ZINC000006155858 570278185 /nfs/dbraw/zinc/27/81/85/570278185.db2.gz JLYATKAFODPYRA-SFHVURJKSA-N 0 0 392.521 3.476 50 0 GGAARN Cc1cc(=O)oc2cc(OC(=O)[C@@H](C)NC(=O)OCc3ccccc3)ccc12 ZINC000000630293 570278298 /nfs/dbraw/zinc/27/82/98/570278298.db2.gz VUVOSBVHCOOTCP-CQSZACIVSA-N 0 0 381.384 3.322 50 0 biogenic GGAARN Nc1nc(CSc2nnc(-c3ccncc3)o2)nc(Nc2ccc(F)cc2)n1 ZINC000002191033 570278510 /nfs/dbraw/zinc/27/85/10/570278510.db2.gz KRLWDLRVBOKHBT-UHFFFAOYSA-N 0 0 396.411 3.074 50 0 GGAARN CC(=O)Oc1cc(OC(C)=O)c2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000000630531 570278607 /nfs/dbraw/zinc/27/86/07/570278607.db2.gz XAQRBTDCNVGVQF-UHFFFAOYSA-N 0 0 396.351 3.082 50 0 biogenic GGAARN COC[C@H](C)OC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 ZINC000002223097 570279528 /nfs/dbraw/zinc/27/95/28/570279528.db2.gz SQDZBXSMARHKIX-LBPRGKRZSA-N 0 0 394.406 3.487 50 0 GGAARN O=C(c1cc2c(nc3ccccn3c2=O)n1Cc1ccccc1)N1CCCCC1 ZINC000002230368 570279779 /nfs/dbraw/zinc/27/97/79/570279779.db2.gz HDYYYAHQUQTWAS-UHFFFAOYSA-N 0 0 386.455 3.324 50 0 GGAARN COCCNC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002248401 570280459 /nfs/dbraw/zinc/28/04/59/570280459.db2.gz FPOFQPHZIIIPSH-UHFFFAOYSA-N 0 0 395.850 3.186 50 0 GGAARN CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccc(F)cc1)C(F)(F)F ZINC000002272758 570280882 /nfs/dbraw/zinc/28/08/82/570280882.db2.gz FQIIEAPEABEMPE-KRWDZBQOSA-N 0 0 384.329 3.489 50 0 GGAARN CCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000002278989 570281052 /nfs/dbraw/zinc/28/10/52/570281052.db2.gz AELWGRQUSCQUEW-IAQYHMDHSA-N 0 0 396.369 3.412 50 0 GGAARN Cc1ccc(NC(=S)NC(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000002284501 570281174 /nfs/dbraw/zinc/28/11/74/570281174.db2.gz LMJAUHXDRZRRPU-HNNXBMFYSA-N 0 0 399.497 3.467 50 0 GGAARN COCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(F)cc1 ZINC000006753212 570282603 /nfs/dbraw/zinc/28/26/03/570282603.db2.gz LYXFBZQABNLGMC-FQEVSTJZSA-N 0 0 381.407 3.421 50 0 GGAARN CCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc1OCC ZINC000015881320 570282799 /nfs/dbraw/zinc/28/27/99/570282799.db2.gz CNAHZZULLTXVCW-UHFFFAOYSA-N 0 0 397.435 3.034 50 0 GGAARN COc1ccccc1-c1nc2ccccc2c(=O)n1NC(=O)C=Cc1ccco1 ZINC000002329713 570282828 /nfs/dbraw/zinc/28/28/28/570282828.db2.gz XOCUZCXZCWCQDJ-OUKQBFOZSA-N 0 0 387.395 3.449 50 0 GGAARN COc1ccc(CCNC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1OC ZINC000002343534 570283554 /nfs/dbraw/zinc/28/35/54/570283554.db2.gz UTEHMVDCAAQQOV-UHFFFAOYSA-N 0 0 397.258 3.308 50 0 GGAARN COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2N)cc1 ZINC000002376957 570284993 /nfs/dbraw/zinc/28/49/93/570284993.db2.gz ZEBAJEYFHQWULB-UHFFFAOYSA-N 0 0 397.504 3.324 50 0 GGAARN O=C([O-])C[NH+]1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000002379495 570285042 /nfs/dbraw/zinc/28/50/42/570285042.db2.gz VLQJIWJYRZIBMP-UHFFFAOYSA-N 0 0 380.444 3.074 50 0 GGAARN Cc1c(O[C@H](C)C(=O)NCc2ccccn2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000006804512 570285357 /nfs/dbraw/zinc/28/53/57/570285357.db2.gz YBIFQMRNDBPZAB-OAHLLOKOSA-N 0 0 392.455 3.459 50 0 GGAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3cnccn3)n2C)c(Cl)c1 ZINC000002397734 570285990 /nfs/dbraw/zinc/28/59/90/570285990.db2.gz VICZJXXLFYNXJY-UHFFFAOYSA-N 0 0 388.884 3.273 50 0 GGAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC)cc3)o2)cc1 ZINC000002414208 570286156 /nfs/dbraw/zinc/28/61/56/570286156.db2.gz BOVSRGJHHPKPAV-UHFFFAOYSA-N 0 0 385.445 3.408 50 0 GGAARN CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccc(F)c(Cl)c1 ZINC000012890870 570286192 /nfs/dbraw/zinc/28/61/92/570286192.db2.gz INBABVJVYVZKPL-LJQANCHMSA-N 0 0 387.798 3.027 50 0 GGAARN CC1(C)CC(=O)c2cnc(NC(=O)CSC(=S)N3CCCCC3)nc2C1 ZINC000002417004 570286318 /nfs/dbraw/zinc/28/63/18/570286318.db2.gz QWUYURCFRZJBLX-UHFFFAOYSA-N 0 0 392.550 3.074 50 0 GGAARN COc1ccc(-c2nnc3c4cnn(-c5ccc(F)cc5)c4ncn32)cc1OC ZINC000002421252 570286548 /nfs/dbraw/zinc/28/65/48/570286548.db2.gz CSLFSKICIBBSBM-UHFFFAOYSA-N 0 0 390.378 3.287 50 0 GGAARN CCCCN(C)S(=O)(=O)c1cc(-c2n[nH]c(=O)c3ccccc32)ccc1C ZINC000002427853 570286577 /nfs/dbraw/zinc/28/65/77/570286577.db2.gz RWVVPBZRPUDJOI-UHFFFAOYSA-N 0 0 385.489 3.319 50 0 GGAARN Cc1nc2cc(OCc3nc(C(=O)N4[C@@H]5CC[C@H]4C[C@@H](O)C5)co3)ccc2s1 ZINC000102003506 570286742 /nfs/dbraw/zinc/28/67/42/570286742.db2.gz RFPOZNVJNYBBMU-WDNDVIMCSA-N 0 0 399.472 3.300 50 0 GGAARN CCOc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCC(N)=O)cc1 ZINC000002441668 570286849 /nfs/dbraw/zinc/28/68/49/570286849.db2.gz ZRPCEWXJMWRWMJ-UHFFFAOYSA-N 0 0 398.488 3.131 50 0 GGAARN c1ccc2c(c1)OC[C@H](c1nnc3sc(-c4ccc5c(c4)OCO5)nn31)O2 ZINC000002437201 570287052 /nfs/dbraw/zinc/28/70/52/570287052.db2.gz XTHFPGUHKBEENX-OAHLLOKOSA-N 0 0 380.385 3.094 50 0 GGAARN COC(=O)[C@@H](CC(=O)c1ccccc1)c1cc(=O)oc2c1ccc(OC)c2OC ZINC000012900196 570287690 /nfs/dbraw/zinc/28/76/90/570287690.db2.gz VLMJLKLNBMOTPW-INIZCTEOSA-N 0 0 396.395 3.340 50 0 biogenic GGAARN Cc1cc(C)n(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)c(C)c2)C3)c(=O)n1 ZINC000102194456 570287926 /nfs/dbraw/zinc/28/79/26/570287926.db2.gz KJKYFGVSPHXBNS-REPLKXPHSA-N 0 0 383.467 3.245 50 0 GGAARN CCOC(=O)CSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CCCC3 ZINC000004821965 570288470 /nfs/dbraw/zinc/28/84/70/570288470.db2.gz VXRAXNBYQGUMIV-UHFFFAOYSA-N 0 0 395.484 3.315 50 0 GGAARN O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCc1ccc2c(c1)OCO2 ZINC000002493209 570288555 /nfs/dbraw/zinc/28/85/55/570288555.db2.gz GTRCZEUZWGQJJO-UHFFFAOYSA-N 0 0 376.412 3.279 50 0 GGAARN O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000002497559 570288579 /nfs/dbraw/zinc/28/85/79/570288579.db2.gz XUPNQXNYRAHPEM-UHFFFAOYSA-N 0 0 382.501 3.065 50 0 GGAARN COc1cc(NC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)cc(OC)c1OC ZINC000012902196 570288758 /nfs/dbraw/zinc/28/87/58/570288758.db2.gz IUVNFDCCIONVLD-UHFFFAOYSA-N 0 0 399.399 3.014 50 0 biogenic GGAARN O=C(CSc1nnc2ccc3ccccc3n21)Nc1ccc2c(c1)OCCO2 ZINC000002502422 570289011 /nfs/dbraw/zinc/28/90/11/570289011.db2.gz NCENDXRUIXJBFA-UHFFFAOYSA-N 0 0 392.440 3.385 50 0 GGAARN O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H](c1cccnc1)N1CCCC1 ZINC000102541005 570289871 /nfs/dbraw/zinc/28/98/71/570289871.db2.gz NTWKTMUNALRBOT-QGZVFWFLSA-N 0 0 379.382 3.434 50 0 GGAARN Cc1c(Cl)c(C(=O)N(Cc2ccncc2)C[C@H](O)c2ccccc2)nn1C ZINC000215577176 570290006 /nfs/dbraw/zinc/29/00/06/570290006.db2.gz IYRPNBCHOIALHW-KRWDZBQOSA-N 0 0 384.867 3.153 50 0 GGAARN Cc1noc2nc(C)cc(C(=O)NC[C@H](c3cccnc3)N3CCCCC3)c12 ZINC000215703004 570290614 /nfs/dbraw/zinc/29/06/14/570290614.db2.gz UWONXPILWGLUQF-GOSISDBHSA-N 0 0 379.464 3.192 50 0 GGAARN Cc1nc2ccc(C(=O)N(CCCn3ccnc3)Cc3ccncc3)cc2o1 ZINC000215671407 570290750 /nfs/dbraw/zinc/29/07/50/570290750.db2.gz QRVMTOPJIRRAAR-UHFFFAOYSA-N 0 0 375.432 3.460 50 0 GGAARN O=C(CC1=CSC2=NCCCN12)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000102713646 570291351 /nfs/dbraw/zinc/29/13/51/570291351.db2.gz RJJNKLGFYBJDIA-AWEZNQCLSA-N 0 0 381.505 3.309 50 0 GGAARN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4c(C)cc(C)cc4C)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000102682770 570291517 /nfs/dbraw/zinc/29/15/17/570291517.db2.gz NFRKPKLAMJLZRA-CEMLEFRQSA-N 0 0 389.499 3.456 50 0 GGAARN CCOC(=O)c1sc2[nH]c(Cc3ccc(OC)c(OC)c3)nc(=O)c2c1C ZINC000002643557 570292222 /nfs/dbraw/zinc/29/22/22/570292222.db2.gz IOSIAHQUXVYMEP-UHFFFAOYSA-N 0 0 388.445 3.078 50 0 GGAARN COc1ccc(NC(=O)CCNC(=O)N2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000012296881 570293608 /nfs/dbraw/zinc/29/36/08/570293608.db2.gz IMILAMIMUUPUKV-UHFFFAOYSA-N 0 0 392.459 3.273 50 0 biogenic GGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1ccc(OC)c(OC)c1)CC3 ZINC000012296717 570293639 /nfs/dbraw/zinc/29/36/39/570293639.db2.gz LGQPUEAGNNJQMS-UHFFFAOYSA-N 0 0 380.444 3.321 50 0 biogenic GGAARN COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCCC2)cc1OC ZINC000004825574 570293964 /nfs/dbraw/zinc/29/39/64/570293964.db2.gz AYMWKUFFKBHXMO-NBVRZTHBSA-N 0 0 380.444 3.097 50 0 GGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(OC)c(OC)c(OC)c1)CC3 ZINC000012296573 570293969 /nfs/dbraw/zinc/29/39/69/570293969.db2.gz YYIJCMBIYGSTRE-UHFFFAOYSA-N 0 0 396.443 3.401 50 0 biogenic GGAARN Cc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1 ZINC000216028333 570294996 /nfs/dbraw/zinc/29/49/96/570294996.db2.gz FWIISDOMKLIRLC-LLVKDONJSA-N 0 0 394.401 3.240 50 0 GGAARN COc1ccc(-n2nc(C(=O)N3CCC(O)CC3)cc2-c2ccccc2)cc1 ZINC000216059594 570295247 /nfs/dbraw/zinc/29/52/47/570295247.db2.gz QQIXNHVNJHWVGX-UHFFFAOYSA-N 0 0 377.444 3.145 50 0 GGAARN CS(=O)(=O)c1ccc(CN2CCC([C@@H](O)CCc3ccccc3)CC2)cc1 ZINC000216048640 570295358 /nfs/dbraw/zinc/29/53/58/570295358.db2.gz UQOKDVYDYWZGAR-QFIPXVFZSA-N 0 0 387.545 3.296 50 0 GGAARN Cc1cc(C)n(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)n1 ZINC000002700592 570295491 /nfs/dbraw/zinc/29/54/91/570295491.db2.gz AACYLLVYLGQMJM-UHFFFAOYSA-N 0 0 375.494 3.062 50 0 GGAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)N(CCCc2ccccc2)C1=S ZINC000002729764 570295889 /nfs/dbraw/zinc/29/58/89/570295889.db2.gz IWXMBMJAIIZDGZ-LJQANCHMSA-N 0 0 395.528 3.466 50 0 GGAARN CCCn1cc(C(=O)NC2CCN(Cc3cc(F)cc(F)c3)CC2)c(C)n1 ZINC000216205726 570297319 /nfs/dbraw/zinc/29/73/19/570297319.db2.gz XBPVFMOWGZDPKP-UHFFFAOYSA-N 0 0 376.451 3.274 50 0 GGAARN COc1ccc(CCNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1OC ZINC000002740724 570297367 /nfs/dbraw/zinc/29/73/67/570297367.db2.gz FKOUQYZMHWLGMZ-UHFFFAOYSA-N 0 0 375.293 3.372 50 0 GGAARN CCN(CC)C(=O)c1sc(NC(=O)[C@@H]2CCCO2)c(C(=O)OC(C)C)c1C ZINC000002741333 570297612 /nfs/dbraw/zinc/29/76/12/570297612.db2.gz UCPXABSRNUIDJQ-ZDUSSCGKSA-N 0 0 396.509 3.221 50 0 GGAARN Cc1cccc(-n2c(N)cc(=O)nc2S[C@@H](C)C(=O)Nc2ccccc2)c1 ZINC000002746389 570297813 /nfs/dbraw/zinc/29/78/13/570297813.db2.gz PYQDFQWRJJOOLZ-AWEZNQCLSA-N 0 0 380.473 3.242 50 0 GGAARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000002748490 570297848 /nfs/dbraw/zinc/29/78/48/570297848.db2.gz UIWKGYDYPHPDGC-UONOGXRCSA-N 0 0 386.473 3.287 50 0 GGAARN O=C(NCc1ccc(F)cc1)c1cccc(C(=O)NCc2ccc(F)cc2)n1 ZINC000002746104 570297923 /nfs/dbraw/zinc/29/79/23/570297923.db2.gz JBDMVBCBMQLEOF-UHFFFAOYSA-N 0 0 381.382 3.220 50 0 GGAARN CN1C(=O)C[C@H](C(=O)N(Cc2ccco2)Cc2ccccn2)c2ccccc21 ZINC000216327262 570298997 /nfs/dbraw/zinc/29/89/97/570298997.db2.gz IAKGZKJKCNQIES-IBGZPJMESA-N 0 0 375.428 3.354 50 0 GGAARN CC(C)N1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000012303451 570300465 /nfs/dbraw/zinc/30/04/65/570300465.db2.gz AYDZAFHIQBQBOF-OAQYLSRUSA-N 0 0 395.503 3.036 50 0 GGAARN CCOc1ccc(-c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)[nH]n2)cc1 ZINC000006942436 570301441 /nfs/dbraw/zinc/30/14/41/570301441.db2.gz SCYNPBKCRXLPIJ-UHFFFAOYSA-N 0 0 395.459 3.465 50 0 biogenic GGAARN O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@](O)(c1ccsc1)c1ccco1 ZINC000575414075 570303255 /nfs/dbraw/zinc/30/32/55/570303255.db2.gz ZAOXZYNBPBNXHE-XXIDSNJLSA-N 0 0 383.425 3.135 50 0 GGAARN CCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(OC)cc1 ZINC000002816778 570304769 /nfs/dbraw/zinc/30/47/69/570304769.db2.gz XNRJVIPLMOPAKM-PDGQHHTCSA-N 0 0 396.443 3.111 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1OC ZINC000002826567 570305025 /nfs/dbraw/zinc/30/50/25/570305025.db2.gz QYTNPWVRZHCXCQ-UHFFFAOYSA-N 0 0 375.490 3.347 50 0 GGAARN CCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000002827133 570305058 /nfs/dbraw/zinc/30/50/58/570305058.db2.gz XBUVCBXSIXHGND-UHFFFAOYSA-N 0 0 388.533 3.329 50 0 GGAARN CCN(CC)C(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(C)cc1 ZINC000002828471 570305268 /nfs/dbraw/zinc/30/52/68/570305268.db2.gz GIEZEMMXQBZJML-PDGQHHTCSA-N 0 0 380.444 3.363 50 0 GGAARN O=C(N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1)C1(c2ccc(F)cc2)CC1 ZINC000575414707 570305584 /nfs/dbraw/zinc/30/55/84/570305584.db2.gz KDGMAUAGEFUBDD-IBGZPJMESA-N 0 0 387.476 3.246 50 0 GGAARN COc1cc(C(=O)NCCOc2ccc(Cl)cc2C)cc(OC)c1OC ZINC000002839474 570306729 /nfs/dbraw/zinc/30/67/29/570306729.db2.gz IBGCSTLYABSVHU-UHFFFAOYSA-N 0 0 379.840 3.483 50 0 GGAARN O=C(Nc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1)c1ccco1 ZINC000002841715 570306941 /nfs/dbraw/zinc/30/69/41/570306941.db2.gz RCBVVLCKTHDFDY-INIZCTEOSA-N 0 0 378.384 3.102 50 0 aggregator GGAARN C[C@H](Oc1c(=O)c2ccccc2oc1-c1ccccc1)C(=O)N1CCOCC1 ZINC000012000379 570307252 /nfs/dbraw/zinc/30/72/52/570307252.db2.gz RAZPFENDKHHKPU-HNNXBMFYSA-N 0 0 379.412 3.086 50 0 GGAARN CCOC(=O)c1c2c(sc1NC(=S)NCc1cc(C)n(C)n1)CCCC2 ZINC000002851394 570308767 /nfs/dbraw/zinc/30/87/67/570308767.db2.gz XFKDNQVJYPSKKJ-UHFFFAOYSA-N 0 0 392.550 3.332 50 0 GGAARN CN(c1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1)S(C)(=O)=O ZINC000002856941 570310133 /nfs/dbraw/zinc/31/01/33/570310133.db2.gz UAIVHCVJVXJMNI-UHFFFAOYSA-N 0 0 386.517 3.177 50 0 GGAARN O=C1C[C@H](NCc2ccc3c(c2)OCO3)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000004837842 570311425 /nfs/dbraw/zinc/31/14/25/570311425.db2.gz 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/nfs/dbraw/zinc/34/46/40/570344640.db2.gz QTHIETUEWOUCHI-FQEVSTJZSA-N 0 0 375.472 3.258 50 0 biogenic GGAARN Cc1ccc(NC(=O)[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C(C)C)c(C)c1 ZINC000035361708 570344753 /nfs/dbraw/zinc/34/47/53/570344753.db2.gz DHUDTOHWNVRFMM-SFTDATJTSA-N 0 0 379.504 3.097 50 0 GGAARN COc1ccc(NC(=O)CS[C@H]2CC(=O)N(c3ccccc3C)C2=O)cc1 ZINC000100274235 570346766 /nfs/dbraw/zinc/34/67/66/570346766.db2.gz IONMOHKCAYLLPN-KRWDZBQOSA-N 0 0 384.457 3.007 50 0 GGAARN COc1ccccc1N(Cc1nc(-c2ccc(Cl)cc2)no1)S(C)(=O)=O ZINC000033428918 570346985 /nfs/dbraw/zinc/34/69/85/570346985.db2.gz ZADVZKUZUOWVOM-UHFFFAOYSA-N 0 0 393.852 3.365 50 0 GGAARN COc1cccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)c1 ZINC000003522641 570347899 /nfs/dbraw/zinc/34/78/99/570347899.db2.gz GCZSVIXQFOPMOS-UHFFFAOYSA-N 0 0 389.502 3.351 50 0 GGAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCc1cccc(F)c1 ZINC000004853554 570348408 /nfs/dbraw/zinc/34/84/08/570348408.db2.gz HZRZILJTORGRSB-UHFFFAOYSA-N 0 0 382.391 3.436 50 0 GGAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cn3)n2C)cc1 ZINC000003568309 570348496 /nfs/dbraw/zinc/34/84/96/570348496.db2.gz UKLIVHNYOGESKF-UHFFFAOYSA-N 0 0 389.868 3.270 50 0 GGAARN Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)Nc2ccccc2)n1 ZINC000004853497 570348479 /nfs/dbraw/zinc/34/84/79/570348479.db2.gz OUNPHWBTEIUWKX-UHFFFAOYSA-N 0 0 399.454 3.352 50 0 GGAARN Clc1ccccc1Cc1noc(CN2CCN(Cc3cccnc3)CC2)n1 ZINC000023192154 570349217 /nfs/dbraw/zinc/34/92/17/570349217.db2.gz ZXVRTNCUBZCZLG-UHFFFAOYSA-N 0 0 383.883 3.027 50 0 GGAARN Nn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000004855278 570349389 /nfs/dbraw/zinc/34/93/89/570349389.db2.gz BNFYEWRUQYVEGU-UHFFFAOYSA-N 0 0 391.859 3.106 50 0 GGAARN COc1cc2c(cc1OC)CN(C(=O)NCc1ccc3c(c1)CCCO3)CC2 ZINC000584903825 570350242 /nfs/dbraw/zinc/35/02/42/570350242.db2.gz SZXLUJWEVMNMBT-UHFFFAOYSA-N 0 0 382.460 3.297 50 0 GGAARN CCOC(=O)c1c2c(sc1NC(=O)C(C)(C)C)CN(C(=O)OCC)CC2 ZINC000003684609 570350360 /nfs/dbraw/zinc/35/03/60/570350360.db2.gz CRSMYKANPXQRKS-UHFFFAOYSA-N 0 0 382.482 3.424 50 0 GGAARN CCN(C(=O)c1ccc(-c2ccc(-c3ccno3)cc2)cc1)[C@H]1COC[C@@H]1O ZINC000584904124 570350597 /nfs/dbraw/zinc/35/05/97/570350597.db2.gz SCHMOQXSJJTABZ-PMACEKPBSA-N 0 0 378.428 3.230 50 0 GGAARN COc1c(C)cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1C ZINC000023230615 570351054 /nfs/dbraw/zinc/35/10/54/570351054.db2.gz MHOVYGOBMLSZSR-UHFFFAOYSA-N 0 0 388.533 3.127 50 0 GGAARN [NH3+][C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1 ZINC000003787097 570351094 /nfs/dbraw/zinc/35/10/94/570351094.db2.gz QFFGVLORLPOAEC-SNVBAGLBSA-N 0 0 393.846 3.145 50 0 fda GGAARN Cc1nn(CCNC(=O)c2cc3ccccc3oc2=O)c(C)c1-c1ccco1 ZINC000575614687 570352213 /nfs/dbraw/zinc/35/22/13/570352213.db2.gz BBMZIOPYZREVSO-UHFFFAOYSA-N 0 0 377.400 3.296 50 0 GGAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1cc(-c2ccco2)cn1 ZINC000575614703 570352247 /nfs/dbraw/zinc/35/22/47/570352247.db2.gz BRPLMXIJXDCHSG-UHFFFAOYSA-N 0 0 379.395 3.113 50 0 GGAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cccc(F)c2)n1N ZINC000004876901 570353295 /nfs/dbraw/zinc/35/32/95/570353295.db2.gz MQMOPDFRYHKJKP-UHFFFAOYSA-N 0 0 391.859 3.491 50 0 GGAARN O=C(c1ccc(F)c(Cl)c1)N1CCC(n2cnc3ncccc3c2=O)CC1 ZINC000575615164 570353810 /nfs/dbraw/zinc/35/38/10/570353810.db2.gz BOLQFRJFQOUWGR-UHFFFAOYSA-N 0 0 386.814 3.061 50 0 GGAARN Cc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000004878795 570353841 /nfs/dbraw/zinc/35/38/41/570353841.db2.gz MRGHLZFYJWBVFZ-SFHVURJKSA-N 0 0 378.411 3.357 50 0 GGAARN Cc1nn(CCNS(=O)(=O)c2cc(F)ccc2F)c(C)c1-c1ccsc1 ZINC000575615588 570354192 /nfs/dbraw/zinc/35/41/92/570354192.db2.gz QZVIPSMCMXCETO-UHFFFAOYSA-N 0 0 397.472 3.485 50 0 GGAARN O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1ccc2nsnc2c1 ZINC000575615513 570354358 /nfs/dbraw/zinc/35/43/58/570354358.db2.gz DUQREFGUMOXXHL-UHFFFAOYSA-N 0 0 379.392 3.297 50 0 GGAARN COc1ccc(S(=O)(=O)n2cc(C(=O)C(F)(F)F)c3cccnc32)cc1 ZINC000004049883 570355467 /nfs/dbraw/zinc/35/54/67/570355467.db2.gz UKDHAUYCCBJEHK-UHFFFAOYSA-N 0 0 384.335 3.027 50 0 GGAARN O=C(Nc1cccc2nsnc21)C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000390827374 570355523 /nfs/dbraw/zinc/35/55/23/570355523.db2.gz GQSIJAHJKSGNBN-UHFFFAOYSA-N 0 0 388.456 3.223 50 0 GGAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCn1cc(-c2ccco2)cn1 ZINC000575616065 570356274 /nfs/dbraw/zinc/35/62/74/570356274.db2.gz VHYZGALFTADAAU-UHFFFAOYSA-N 0 0 399.394 3.282 50 0 GGAARN O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575616238 570357562 /nfs/dbraw/zinc/35/75/62/570357562.db2.gz IDIAGZMOGWCMRU-CQSZACIVSA-N 0 0 390.399 3.122 50 0 GGAARN CCn1cc(C2=NO[C@H](C(=O)Nc3cc(OC)c(Cl)cc3OC)C2)c(C)n1 ZINC000004111190 570357798 /nfs/dbraw/zinc/35/77/98/570357798.db2.gz RVZDGTGWUQUKPO-KRWDZBQOSA-N 0 0 392.843 3.014 50 0 GGAARN Cn1nccc1-c1cncc(CNC(=O)Nc2nc(-c3ccccn3)cs2)c1 ZINC000575616261 570358064 /nfs/dbraw/zinc/35/80/64/570358064.db2.gz KKKDWFIJMMYLGN-UHFFFAOYSA-N 0 0 391.460 3.322 50 0 GGAARN O=C(Cc1ccc(F)cc1F)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 ZINC000575616349 570358337 /nfs/dbraw/zinc/35/83/37/570358337.db2.gz IYYOYRNPRJKGHE-INIZCTEOSA-N 0 0 383.398 3.081 50 0 GGAARN CCC(=O)N1CCN(c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)CC1 ZINC000004121185 570358611 /nfs/dbraw/zinc/35/86/11/570358611.db2.gz QLOSFLPARTZJKE-UHFFFAOYSA-N 0 0 395.503 3.380 50 0 GGAARN CCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCCC)c(OC)c1 ZINC000004121931 570358622 /nfs/dbraw/zinc/35/86/22/570358622.db2.gz OPYDFMSFXKRGDA-GOSISDBHSA-N 0 0 376.453 3.455 50 0 GGAARN CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1oc(COc3ccccc3)cc1C)C2 ZINC000219398355 570358820 /nfs/dbraw/zinc/35/88/20/570358820.db2.gz DACYFGRRPMFZLC-HXUWFJFHSA-N 0 0 395.459 3.463 50 0 GGAARN COc1ccc(C)cc1S(=O)(=O)NCCOC12CC3CC(CC(C3)C1)C2 ZINC000004134334 570358920 /nfs/dbraw/zinc/35/89/20/570358920.db2.gz BLQOEFPXJKJNQJ-UHFFFAOYSA-N 0 0 379.522 3.267 50 0 GGAARN O=C(Cc1ccccc1Cl)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 ZINC000575616902 570359574 /nfs/dbraw/zinc/35/95/74/570359574.db2.gz LCUOAFINTGIZBA-INIZCTEOSA-N 0 0 381.863 3.456 50 0 GGAARN COCc1oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2c1C(=O)OC ZINC000004148274 570359923 /nfs/dbraw/zinc/35/99/23/570359923.db2.gz DZQUZQCDXALPKV-UHFFFAOYSA-N 0 0 389.429 3.475 50 0 GGAARN COc1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)OCCOc2ccccc2)cc1 ZINC000004150463 570360129 /nfs/dbraw/zinc/36/01/29/570360129.db2.gz VBRFXLBYYGLCJH-IBGZPJMESA-N 0 0 398.484 3.110 50 0 GGAARN Cc1c(C(=O)N2CC(N3CCc4sccc4C3)C2)cnn1-c1ccccc1 ZINC000390828465 570360453 /nfs/dbraw/zinc/36/04/53/570360453.db2.gz QZYLLUXJHYWIMH-UHFFFAOYSA-N 0 0 378.501 3.125 50 0 GGAARN Cc1cc(C)c(C)c(S(=O)(=O)NCc2cncc(-c3ccnn3C)c2)c1C ZINC000575617653 570360719 /nfs/dbraw/zinc/36/07/19/570360719.db2.gz YSHBRKTYBROXFL-UHFFFAOYSA-N 0 0 384.505 3.194 50 0 GGAARN O=c1c2ccccc2ncn1[C@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 ZINC000575617367 570360733 /nfs/dbraw/zinc/36/07/33/570360733.db2.gz OGNHFRFCOVYRFA-SZEUEKNRSA-N 0 0 395.484 3.034 50 0 GGAARN NC(=O)CSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCC4 ZINC000004903773 570360960 /nfs/dbraw/zinc/36/09/60/570360960.db2.gz GNKQOPWMTNJKMX-UHFFFAOYSA-N 0 0 381.486 3.072 50 0 GGAARN O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccco1)Nc1ccccc1 ZINC000006282544 570360971 /nfs/dbraw/zinc/36/09/71/570360971.db2.gz XLUCUHJYAJOOOZ-KRWDZBQOSA-N 0 0 375.384 3.276 50 0 GGAARN COc1cc2c(cc1OC)CN(C(=O)CCCN1Cc3ccccc3C1=O)CC2 ZINC000604404006 570361013 /nfs/dbraw/zinc/36/10/13/570361013.db2.gz HUZWTDKYHQIFAJ-UHFFFAOYSA-N 0 0 394.471 3.025 50 0 biogenic GGAARN COc1ccc2[nH]c(=O)c(-c3nc(C)c(C(=O)Nc4ccccc4)n3O)cc2c1 ZINC000604403974 570361083 /nfs/dbraw/zinc/36/10/83/570361083.db2.gz GXJBDPMRPKCRMY-UHFFFAOYSA-N 0 0 390.399 3.198 50 0 biogenic GGAARN CCOc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccc(OC)cc2)c1 ZINC000004177712 570361120 /nfs/dbraw/zinc/36/11/20/570361120.db2.gz SEMSONZPCAXALV-HXUWFJFHSA-N 0 0 396.443 3.465 50 0 GGAARN COc1cccc(C(=O)N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)c1 ZINC000575617686 570361603 /nfs/dbraw/zinc/36/16/03/570361603.db2.gz QITNGYHEALHGFQ-SFHVURJKSA-N 0 0 393.892 3.351 50 0 GGAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(F)c2)n2c3ccccc3nc21 ZINC000023411176 570361639 /nfs/dbraw/zinc/36/16/39/570361639.db2.gz DAXPWAOIPCAQHF-GOSISDBHSA-N 0 0 396.422 3.128 50 0 GGAARN O=C(CCC(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1)c1ccccc1 ZINC000575617860 570361727 /nfs/dbraw/zinc/36/17/27/570361727.db2.gz RWLFYLCWBLAMFI-SFHVURJKSA-N 0 0 389.455 3.223 50 0 GGAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)n2c3ccccc3nc21 ZINC000023411160 570361710 /nfs/dbraw/zinc/36/17/10/570361710.db2.gz IARKPLQDKUNBEX-LJQANCHMSA-N 0 0 392.459 3.298 50 0 GGAARN Cc1cc(F)ccc1S(=O)(=O)N1Cc2ccccc2[C@H](c2cnn(C)c2)C1 ZINC000575618076 570361927 /nfs/dbraw/zinc/36/19/27/570361927.db2.gz DQROLZOHVVVSDS-IBGZPJMESA-N 0 0 385.464 3.204 50 0 GGAARN CCOc1ccc(S(=O)(=O)NCc2cncc(-c3ccco3)c2)cc1F ZINC000575618089 570361984 /nfs/dbraw/zinc/36/19/84/570361984.db2.gz HWVYZZGBBDPPNZ-UHFFFAOYSA-N 0 0 376.409 3.358 50 0 GGAARN O=C(NCC12CC3CC(C1)CC(CNC(=O)N1CCCC1)(C3)C2)N1CCCC1 ZINC000004196523 570362644 /nfs/dbraw/zinc/36/26/44/570362644.db2.gz FPTHDYKAPDXXCK-UHFFFAOYSA-N 0 0 388.556 3.184 50 0 GGAARN CCOC(=O)[C@H]1CCCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1 ZINC000004197374 570362648 /nfs/dbraw/zinc/36/26/48/570362648.db2.gz OJDGFWKGNPYEOX-ZDUSSCGKSA-N 0 0 385.855 3.248 50 0 GGAARN c1ccc2c(c1)oc1c2ncnc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000004196806 570362696 /nfs/dbraw/zinc/36/26/96/570362696.db2.gz AXDXFQBNLBHSOY-UHFFFAOYSA-N 0 0 388.427 3.427 50 0 GGAARN NC(=O)Cc1csc(NC(=O)C[C@@H](c2ccc(Cl)cc2)n2cccc2)n1 ZINC000604418825 570362738 /nfs/dbraw/zinc/36/27/38/570362738.db2.gz IEQYRUQDXOBFAZ-HNNXBMFYSA-N 0 0 388.880 3.244 50 0 GGAARN O=C(CCCCCn1cccc1)Nc1n[nH]c([C@@H]2COc3ccccc3O2)n1 ZINC000604419255 570363077 /nfs/dbraw/zinc/36/30/77/570363077.db2.gz AYDBKDIRLRGMIR-KRWDZBQOSA-N 0 0 381.436 3.318 50 0 GGAARN CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl ZINC000004225861 570363351 /nfs/dbraw/zinc/36/33/51/570363351.db2.gz GKURQHWMAVNSAU-UHFFFAOYSA-N 0 0 389.887 3.117 50 0 GGAARN O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC(Oc2ccsc2)CC1 ZINC000575618482 570363452 /nfs/dbraw/zinc/36/34/52/570363452.db2.gz IGJTUELXYRAOCV-UHFFFAOYSA-N 0 0 389.502 3.166 50 0 GGAARN CC(C)Sc1ccc(CC(=O)NCc2nccnc2-c2cnn(C)c2)cc1 ZINC000575618549 570363689 /nfs/dbraw/zinc/36/36/89/570363689.db2.gz BVMXFZKSHVZTDY-UHFFFAOYSA-N 0 0 381.505 3.237 50 0 GGAARN O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCN(c2ccc(C3CC3)nn2)CC1 ZINC000575618569 570363790 /nfs/dbraw/zinc/36/37/90/570363790.db2.gz CXENLMBNWXGQJR-UHFFFAOYSA-N 0 0 391.450 3.451 50 0 GGAARN CC(=O)Nc1ccc(N[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccccc2)cc1 ZINC000006293815 570364513 /nfs/dbraw/zinc/36/45/13/570364513.db2.gz DYDKVZMGKJESRH-PMACEKPBSA-N 0 0 387.505 3.347 50 0 GGAARN COc1ccc(OC)c(NC2=C(Cl)C(=O)N(c3ccccc3F)C2=O)c1 ZINC000000812708 570364700 /nfs/dbraw/zinc/36/47/00/570364700.db2.gz MGSFJXGLUAVGOI-UHFFFAOYSA-N 0 0 376.771 3.279 50 0 GGAARN COc1ccc(CCN2CC3=C(C2=O)[C@H](c2ccccc2Cl)NC(=O)N3)cc1 ZINC000012345570 570366268 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570407898 /nfs/dbraw/zinc/40/78/98/570407898.db2.gz CQTAVFWESGQEMY-UHFFFAOYSA-N 0 0 379.445 3.433 50 0 GGAARN CCC[C@@H](C)c1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)s1 ZINC000004815864 570407986 /nfs/dbraw/zinc/40/79/86/570407986.db2.gz COKQGGQPWYPURB-CHWSQXEVSA-N 0 0 388.493 3.442 50 0 GGAARN CCCCNC(=O)c1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000004814311 570408017 /nfs/dbraw/zinc/40/80/17/570408017.db2.gz ZQVOUMCVIKMSSQ-UHFFFAOYSA-N 0 0 386.448 3.495 50 0 biogenic GGAARN COc1ccc(Cc2nnc(SCC(=O)N3CCc4ccccc43)n2C)cc1 ZINC000004816090 570408296 /nfs/dbraw/zinc/40/82/96/570408296.db2.gz NKHSQSNHBIONPZ-UHFFFAOYSA-N 0 0 394.500 3.096 50 0 GGAARN C[C@H](NC(=O)C1CCC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1)c1ccccc1 ZINC000004819404 570408559 /nfs/dbraw/zinc/40/85/59/570408559.db2.gz LGZWPRHFMBVOHX-DQAVMHLFSA-N 0 0 380.488 3.374 50 0 GGAARN Cc1cc(C)n(-c2nc3sc4c(c3c3n[nH]c(=S)n32)CC(C)(C)OC4)n1 ZINC000004820616 570408659 /nfs/dbraw/zinc/40/86/59/570408659.db2.gz FOJGKDDMQZAZAI-UHFFFAOYSA-N 0 0 386.506 3.282 50 0 GGAARN CCOC(=O)c1c2c(sc1NC(=O)CN1CCCCC1)COC(C)(C)C2 ZINC000004823557 570408826 /nfs/dbraw/zinc/40/88/26/570408826.db2.gz NHVCNAGQBZLKOR-UHFFFAOYSA-N 0 0 380.510 3.201 50 0 GGAARN Cc1cc(O)ccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000004828823 570409165 /nfs/dbraw/zinc/40/91/65/570409165.db2.gz PSMIQVHYNVAQSY-UHFFFAOYSA-N 0 0 376.368 3.342 50 0 GGAARN O=C(Nc1ccccc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 ZINC000004837335 570409793 /nfs/dbraw/zinc/40/97/93/570409793.db2.gz HIFAOLBVHZADKB-LFIBNONCSA-N 0 0 376.368 3.418 50 0 GGAARN CCOC(=O)N1CCN(C(=O)c2ccccc2NC(=O)c2cccc(C)c2)CC1 ZINC000004837787 570410101 /nfs/dbraw/zinc/41/01/01/570410101.db2.gz OWBPNNDBODJCGJ-UHFFFAOYSA-N 0 0 395.459 3.162 50 0 GGAARN Cc1nc(CC(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)c(C)s1 ZINC000222413721 570410161 /nfs/dbraw/zinc/41/01/61/570410161.db2.gz YYHZNYZJDSKTJA-GRXDXKALSA-N 0 0 381.501 3.479 50 0 GGAARN COc1ccccc1-c1noc(C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000004839987 570410306 /nfs/dbraw/zinc/41/03/06/570410306.db2.gz QXRGGHAQSRABFI-UHFFFAOYSA-N 0 0 399.472 3.314 50 0 GGAARN CSc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000004839484 570410322 /nfs/dbraw/zinc/41/03/22/570410322.db2.gz SLUZCRJQKGXWFP-OAHLLOKOSA-N 0 0 390.530 3.448 50 0 GGAARN COC(=O)c1c(NC(=O)C(=O)NC2CCC(C)CC2)sc2c1CCCC2 ZINC000004839919 570410345 /nfs/dbraw/zinc/41/03/45/570410345.db2.gz FIEWRIMHUIXPQL-UHFFFAOYSA-N 0 0 378.494 3.047 50 0 GGAARN Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C ZINC000004840589 570410665 /nfs/dbraw/zinc/41/06/65/570410665.db2.gz HEIUJTWMMDELKC-UHFFFAOYSA-N 0 0 388.489 3.105 50 0 GGAARN COc1ccc(-c2noc(CNC(=O)COc3ccc(Cl)c(C)c3)n2)cc1 ZINC000004840748 570410726 /nfs/dbraw/zinc/41/07/26/570410726.db2.gz KLDMMRWEDMYMFP-UHFFFAOYSA-N 0 0 387.823 3.402 50 0 GGAARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000005075534 570411733 /nfs/dbraw/zinc/41/17/33/570411733.db2.gz ITBXFZWFUXPDFF-UHFFFAOYSA-N 0 0 384.379 3.498 50 0 GGAARN COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1c(F)cccc1Cl ZINC000005075977 570412075 /nfs/dbraw/zinc/41/20/75/570412075.db2.gz PWSJMURFKOLNTR-UHFFFAOYSA-N 0 0 398.843 3.280 50 0 GGAARN O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000004850515 570412135 /nfs/dbraw/zinc/41/21/35/570412135.db2.gz XLBKVJSLOQYUMJ-UHFFFAOYSA-N 0 0 396.468 3.183 50 0 GGAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(O)cc2)cc1 ZINC000004855181 570412649 /nfs/dbraw/zinc/41/26/49/570412649.db2.gz NPQAGMORIVVHRF-GOSISDBHSA-N 0 0 383.473 3.222 50 0 GGAARN CCOC(=O)C1CCN(CC(=O)N(CC)c2nc3ccc(C)cc3s2)CC1 ZINC000004858123 570413082 /nfs/dbraw/zinc/41/30/82/570413082.db2.gz VAVACZVLNFMICT-UHFFFAOYSA-N 0 0 389.521 3.233 50 0 GGAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1OCc1ccccc1 ZINC000004858280 570413116 /nfs/dbraw/zinc/41/31/16/570413116.db2.gz FAQJYOQSUCTDLT-LJQANCHMSA-N 0 0 396.443 3.465 50 0 GGAARN COc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O ZINC000004865960 570413656 /nfs/dbraw/zinc/41/36/56/570413656.db2.gz 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ZINC000005100827 570417498 /nfs/dbraw/zinc/41/74/98/570417498.db2.gz DXPPEBRHCMEVGL-UHFFFAOYSA-N 0 0 383.477 3.097 50 0 GGAARN COc1ccc(COC(=O)C2=C(C)NC(=O)C[C@H]2c2ccccc2OC)cc1 ZINC000004916752 570418052 /nfs/dbraw/zinc/41/80/52/570418052.db2.gz OWQJGKZZNAUSQJ-SFHVURJKSA-N 0 0 381.428 3.325 50 0 GGAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(OC)cc2)C1=O ZINC000004918344 570418327 /nfs/dbraw/zinc/41/83/27/570418327.db2.gz NVEITPGHOHKGHS-PILJQMSFSA-N 0 0 386.429 3.084 50 0 GGAARN CCc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)o2)cc1 ZINC000005107256 570418390 /nfs/dbraw/zinc/41/83/90/570418390.db2.gz GQAXOZDHEVAXLN-UHFFFAOYSA-N 0 0 396.472 3.293 50 0 GGAARN CC1(C)C[C@H](NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)CCO1 ZINC000252460890 570419637 /nfs/dbraw/zinc/41/96/37/570419637.db2.gz IWUHBXDGOYLWOH-KZNAEPCWSA-N 0 0 397.519 3.277 50 0 GGAARN COc1ccc(CCC(=O)N[C@H]2CCc3cc(OC)c(OC)cc32)cc1OC ZINC000524729379 570420625 /nfs/dbraw/zinc/42/06/25/570420625.db2.gz QWSUIROBJKWKKM-KRWDZBQOSA-N 0 0 385.460 3.457 50 0 biogenic GGAARN O=C(Nc1nnc(CCCc2ccccc2)s1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000004975957 570420954 /nfs/dbraw/zinc/42/09/54/570420954.db2.gz LHUVOARAIOYINB-MRXNPFEDSA-N 0 0 398.532 3.443 50 0 GGAARN CCOCc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)s1 ZINC000004975667 570421015 /nfs/dbraw/zinc/42/10/15/570421015.db2.gz AAIHNDJVXKOSCF-NSHDSACASA-N 0 0 394.884 3.028 50 0 GGAARN CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)N(C)C ZINC000033820482 570421065 /nfs/dbraw/zinc/42/10/65/570421065.db2.gz QGAWKBHDDFBNMX-GWSKAPOCSA-N 0 0 381.557 3.047 50 0 in-vitro GGAARN CCCOCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 ZINC000004987054 570421829 /nfs/dbraw/zinc/42/18/29/570421829.db2.gz AQIGBJFDWXSAJS-MRXNPFEDSA-N 0 0 376.844 3.190 50 0 GGAARN COc1ccc(CN2C(=O)[C@](O)(CC(C)=O)c3cc(C)cc(C)c32)cc1OC ZINC000004988042 570421844 /nfs/dbraw/zinc/42/18/44/570421844.db2.gz JMGLHVQTBGPWAF-QFIPXVFZSA-N 0 0 383.444 3.034 50 0 GGAARN CCCOC(=O)[C@H](C)n1cnc2sc(C(=O)OCC(C)C)c(C)c2c1=O ZINC000001784762 570424191 /nfs/dbraw/zinc/42/41/91/570424191.db2.gz BDJYWPXEEQJUBN-LBPRGKRZSA-N 0 0 380.466 3.093 50 0 GGAARN COCCCN1C(=O)c2ccc(C(=O)OCc3ccc(Cl)cc3)cc2C1=O ZINC000001790933 570425010 /nfs/dbraw/zinc/42/50/10/570425010.db2.gz JBRBMHDLQUEWTD-UHFFFAOYSA-N 0 0 387.819 3.330 50 0 GGAARN COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2C)cc1Cl ZINC000005047431 570425955 /nfs/dbraw/zinc/42/59/55/570425955.db2.gz OHPDXLIXWPIRAP-UHFFFAOYSA-N 0 0 389.868 3.270 50 0 GGAARN COC(=O)c1ccccc1-c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 ZINC000005049282 570426096 /nfs/dbraw/zinc/42/60/96/570426096.db2.gz ISKVWHIKKAHBHM-VUCAUUSGSA-N 0 0 391.423 3.276 50 0 GGAARN O=C(Nc1ccc(F)cc1)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c1 ZINC000005049182 570426112 /nfs/dbraw/zinc/42/61/12/570426112.db2.gz FEBWBIZCPPDNKH-QKPHTXKDSA-N 0 0 394.402 3.214 50 0 GGAARN CCOC(=O)[C@@](NC(=O)Nc1cc(C)on1)(c1ccc(F)cc1)C(F)(F)F ZINC000005049955 570426251 /nfs/dbraw/zinc/42/62/51/570426251.db2.gz PWLOMPPUQWUPQA-HNNXBMFYSA-N 0 0 389.305 3.265 50 0 GGAARN COc1ccc(NC(=O)CN2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)cc1 ZINC000005050616 570426401 /nfs/dbraw/zinc/42/64/01/570426401.db2.gz ADJOUYZILRHLCE-AHRSYUTCSA-N 0 0 392.455 3.203 50 0 GGAARN CCn1cc(C2=NO[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C2)c(C)n1 ZINC000005053504 570426501 /nfs/dbraw/zinc/42/65/01/570426501.db2.gz MTCWHFLKYQXSTP-HNNXBMFYSA-N 0 0 382.342 3.242 50 0 GGAARN CC(C)CC1=C[C@](O)(C(F)(F)F)N(C(=O)CCc2ccc3c(c2)OCO3)N1 ZINC000005063341 570427555 /nfs/dbraw/zinc/42/75/55/570427555.db2.gz DQVAHSFEOGPLIC-KRWDZBQOSA-N 0 0 386.370 3.233 50 0 GGAARN CC(C)CC1=C[C@@](O)(C(F)(F)F)N(C(=O)CCc2ccc3c(c2)OCO3)N1 ZINC000005063338 570427586 /nfs/dbraw/zinc/42/75/86/570427586.db2.gz DQVAHSFEOGPLIC-QGZVFWFLSA-N 0 0 386.370 3.233 50 0 GGAARN CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1csc(Cc3ccccc3)n1)C2 ZINC000222833617 570428177 /nfs/dbraw/zinc/42/81/77/570428177.db2.gz UMCHBZBDPQMVSJ-LJQANCHMSA-N 0 0 396.516 3.420 50 0 GGAARN COc1ccc(-c2nnc(SCC(=O)N(C)C)n2Cc2ccccc2)cc1 ZINC000005077916 570428340 /nfs/dbraw/zinc/42/83/40/570428340.db2.gz YPGZIZXLAANJON-UHFFFAOYSA-N 0 0 382.489 3.182 50 0 GGAARN CCOC(=O)[C@@H]1NN=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1Cl ZINC000005091543 570428664 /nfs/dbraw/zinc/42/86/64/570428664.db2.gz QYOUVJFRCFBQGP-SJLPKXTDSA-N 0 0 386.835 3.206 50 0 GGAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C(=O)NC1CCCCCC1 ZINC000005152826 570429065 /nfs/dbraw/zinc/42/90/65/570429065.db2.gz LJMNKMMMJFJSAZ-FQEVSTJZSA-N 0 0 395.503 3.339 50 0 GGAARN C[C@@H]1C[C@H](NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)CC(C)(C)C1 ZINC000005153486 570429197 /nfs/dbraw/zinc/42/91/97/570429197.db2.gz TVSGZVYNTALTGJ-CJNGLKHVSA-N 0 0 376.522 3.015 50 0 GGAARN O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)NCc1ccccc1Cl ZINC000005154884 570429291 /nfs/dbraw/zinc/42/92/91/570429291.db2.gz ZGHXBTQKWLWCRE-UHFFFAOYSA-N 0 0 385.876 3.499 50 0 GGAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000005155442 570430362 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KESZNYDKFARJFX-UHFFFAOYSA-N 0 0 375.379 3.210 50 0 GGAARN CC[C@H](C)C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(OC)cc1OC)CC2=O ZINC000005560898 570647394 /nfs/dbraw/zinc/64/73/94/570647394.db2.gz VBCOLPXBONLZEJ-STQMWFEESA-N 0 0 383.448 3.391 50 0 GGAARN COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1CC(=O)NCc1ccco1 ZINC000006849682 570647474 /nfs/dbraw/zinc/64/74/74/570647474.db2.gz FRVRXELKQYUMKV-OIBXWCBGSA-N 0 0 398.503 3.273 50 0 biogenic GGAARN COc1ccc(-c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)on2)cc1 ZINC000012371015 570647618 /nfs/dbraw/zinc/64/76/18/570647618.db2.gz UEXBPUHKVVTQTD-UHFFFAOYSA-N 0 0 382.416 3.340 50 0 GGAARN Cc1c(-c2ccccc2)n(C2CCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000012372624 570648035 /nfs/dbraw/zinc/64/80/35/570648035.db2.gz YIAOUQWCLZIJNO-UHFFFAOYSA-N 0 0 391.475 3.167 50 0 GGAARN COc1ccc(-c2nn3c(nnc3-c3c(C)nc4ccccn43)s2)cc1OC ZINC000227143024 570648172 /nfs/dbraw/zinc/64/81/72/570648172.db2.gz HPBYVMVITBAMOY-UHFFFAOYSA-N 0 0 392.444 3.493 50 0 GGAARN C[C@@H](Cn1cncn1)NC(=O)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000012372864 570648188 /nfs/dbraw/zinc/64/81/88/570648188.db2.gz VSRGDSOURKGFLB-INIZCTEOSA-N 0 0 389.459 3.413 50 0 GGAARN COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(C)=O)cc2)CC1 ZINC000012379635 570649530 /nfs/dbraw/zinc/64/95/30/570649530.db2.gz VZKIMZHDTQTXQR-UHFFFAOYSA-N 0 0 387.867 3.269 50 0 GGAARN CC(C)(C)c1ccc(OC(C)(C)C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000012381708 570649861 /nfs/dbraw/zinc/64/98/61/570649861.db2.gz QREOXQRRSQKRTN-UHFFFAOYSA-N 0 0 382.508 3.280 50 0 GGAARN CC(C)(C)c1nnc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)s1 ZINC000012381788 570649952 /nfs/dbraw/zinc/64/99/52/570649952.db2.gz NWSOVOGZHBYZQL-UHFFFAOYSA-N 0 0 390.484 3.466 50 0 GGAARN CCn1c(C)ccc(-c2noc(CCC(=O)N[C@H](C)c3ccc(C)cc3)n2)c1=O ZINC000046020441 570650396 /nfs/dbraw/zinc/65/03/96/570650396.db2.gz JWXQBIOKWMVWCX-MRXNPFEDSA-N 0 0 394.475 3.345 50 0 GGAARN CCn1c(C)ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(C)cc3)n2)c1=O ZINC000046020439 570650428 /nfs/dbraw/zinc/65/04/28/570650428.db2.gz JWXQBIOKWMVWCX-INIZCTEOSA-N 0 0 394.475 3.345 50 0 GGAARN CN(C[C@H]1CCCCO1)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 ZINC000012385501 570650412 /nfs/dbraw/zinc/65/04/12/570650412.db2.gz YHUMTOATYBCKIC-QGZVFWFLSA-N 0 0 396.491 3.296 50 0 GGAARN Cc1nn(-c2ccccc2)c2c1[C@H](C(=O)c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000046057452 570650441 /nfs/dbraw/zinc/65/04/41/570650441.db2.gz ZTHKCYQIGMSGJX-OAHLLOKOSA-N 0 0 375.384 3.218 50 0 GGAARN Cc1c(CC(=O)N2CCC[C@@H](O)C2)c2c(n1Cc1ccc(F)cc1)CCCC2=O ZINC000012386029 570650801 /nfs/dbraw/zinc/65/08/01/570650801.db2.gz DFEQBVVZDZZVBT-GOSISDBHSA-N 0 0 398.478 3.029 50 0 GGAARN CCCN(CC1CC1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000012385897 570650845 /nfs/dbraw/zinc/65/08/45/570650845.db2.gz XWHCYGYOUJVHJR-UHFFFAOYSA-N 0 0 381.436 3.097 50 0 GGAARN O=C(CC[C@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1)N1CCCC1 ZINC000012386392 570651448 /nfs/dbraw/zinc/65/14/48/570651448.db2.gz WLUOKIMSLBHKBC-MRXNPFEDSA-N 0 0 382.460 3.048 50 0 GGAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000012387373 570651962 /nfs/dbraw/zinc/65/19/62/570651962.db2.gz HKRXTTLYMKQDKN-KRWDZBQOSA-N 0 0 379.884 3.233 50 0 GGAARN O=C(NC(c1ccccc1)c1ccccc1)c1cc(CN2CCC[C@H](O)C2)on1 ZINC000012387662 570652242 /nfs/dbraw/zinc/65/22/42/570652242.db2.gz FMIITDFXAWPFMD-IBGZPJMESA-N 0 0 391.471 3.151 50 0 GGAARN O=C(CCC(=O)N1CCC(c2noc3cc(F)ccc32)CC1)NCc1ccco1 ZINC000012391807 570652269 /nfs/dbraw/zinc/65/22/69/570652269.db2.gz VHXLKSBHNLFAMB-UHFFFAOYSA-N 0 0 399.422 3.363 50 0 GGAARN COc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000012406000 570653117 /nfs/dbraw/zinc/65/31/17/570653117.db2.gz OFTNFMDGTTZFNR-UHFFFAOYSA-N 0 0 383.473 3.058 50 0 GGAARN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1 ZINC000012406091 570653204 /nfs/dbraw/zinc/65/32/04/570653204.db2.gz IDKNXGKWKLAJND-INIZCTEOSA-N 0 0 390.505 3.432 50 0 GGAARN CCn1cc(C(=O)Nc2nnc(CC(C)C)s2)c(=O)c2cc(OC)ccc21 ZINC000012406938 570653964 /nfs/dbraw/zinc/65/39/64/570653964.db2.gz QKYQGUYCDWHZPY-UHFFFAOYSA-N 0 0 386.477 3.332 50 0 GGAARN COc1ccc2c(c1)nc1n2CN(C[C@H]2CCCO2)CN1Cc1ccccc1 ZINC000012407358 570654429 /nfs/dbraw/zinc/65/44/29/570654429.db2.gz UPEJPPWFTGSHOP-LJQANCHMSA-N 0 0 378.476 3.461 50 0 GGAARN COc1ccc(-n2cc(-c3ccnc(N(C)Cc4cc(C)n[nH]4)n3)cn2)cc1 ZINC000048087858 570655142 /nfs/dbraw/zinc/65/51/42/570655142.db2.gz NLXGEFLDPRXAPR-UHFFFAOYSA-N 0 0 375.436 3.006 50 0 GGAARN O=C(c1cc(=O)c2ccccc2[nH]1)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000048115574 570655256 /nfs/dbraw/zinc/65/52/56/570655256.db2.gz XCNHHTRXSUPEJQ-UHFFFAOYSA-N 0 0 388.402 3.256 50 0 GGAARN CC(C)Oc1ccc(-c2noc(C(=O)NCc3ccc4c(c3)OCO4)n2)cc1 ZINC000012409355 570655341 /nfs/dbraw/zinc/65/53/41/570655341.db2.gz GQSCAEMEJPUCKG-UHFFFAOYSA-N 0 0 381.388 3.183 50 0 GGAARN O=C(c1cnc(-c2ccccn2)nc1)N1CCc2[nH]nc(Cc3ccccc3)c2C1 ZINC000048112440 570655343 /nfs/dbraw/zinc/65/53/43/570655343.db2.gz VXNIGFYKDKVFBL-UHFFFAOYSA-N 0 0 396.454 3.051 50 0 GGAARN CCn1nc(NC(=O)Cn2ccc(-c3ccc4c(c3)OCO4)n2)c2ccccc21 ZINC000048130264 570655346 /nfs/dbraw/zinc/65/53/46/570655346.db2.gz GXNUWUDPXDSUFU-UHFFFAOYSA-N 0 0 389.415 3.287 50 0 GGAARN O=C(c1cccc2nccnc21)N1CCC(n2cc(-c3ccccc3)nn2)CC1 ZINC000048130415 570655754 /nfs/dbraw/zinc/65/57/54/570655754.db2.gz ZNSNTJPHWQEPKO-UHFFFAOYSA-N 0 0 384.443 3.366 50 0 GGAARN COc1ccc(-c2cnn(CC(=O)Nc3cc(C)nn3-c3ccccn3)c2)cc1 ZINC000048135038 570655842 /nfs/dbraw/zinc/65/58/42/570655842.db2.gz JWLPFJTXRZYMOX-UHFFFAOYSA-N 0 0 388.431 3.087 50 0 GGAARN CCCNC(=O)c1cc(=O)n(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12 ZINC000012411153 570655957 /nfs/dbraw/zinc/65/59/57/570655957.db2.gz VCCINQJOLWJOGC-UHFFFAOYSA-N 0 0 397.862 3.433 50 0 biogenic,in-vitro GGAARN CCCNC(=O)c1cc(=O)n(CC(=O)Nc2cccc(Cl)c2)c2ccccc12 ZINC000012411170 570655963 /nfs/dbraw/zinc/65/59/63/570655963.db2.gz VTCFMCIYWFRGOP-UHFFFAOYSA-N 0 0 397.862 3.433 50 0 biogenic,in-vitro GGAARN COc1ccccc1Cn1[nH]cc2nc(-c3cc4c(cc3OC)OCO4)nc1-2 ZINC000048214454 570656251 /nfs/dbraw/zinc/65/62/51/570656251.db2.gz UTRBNIFXNRXHLT-UHFFFAOYSA-N 0 0 378.388 3.221 50 0 GGAARN CCOc1ccc(-c2nc(CSc3nc4c(nc[nH]c4=O)n3C)c(C)o2)cc1 ZINC000012411977 570656482 /nfs/dbraw/zinc/65/64/82/570656482.db2.gz VOOMIIVLBKBSAK-UHFFFAOYSA-N 0 0 397.460 3.311 50 0 biogenic,in-vitro GGAARN CCOc1ccccc1C(=O)N(Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000005574172 570656772 /nfs/dbraw/zinc/65/67/72/570656772.db2.gz MGUCRPBZOJLMJG-SFHVURJKSA-N 0 0 387.501 3.223 50 0 GGAARN COc1ccc(N2C[C@H](c3nc(-c4ccccc4F)no3)CC2=O)cc1OC ZINC000012414349 570657025 /nfs/dbraw/zinc/65/70/25/570657025.db2.gz MVOYFXITPQLXLO-GFCCVEGCSA-N 0 0 383.379 3.413 50 0 GGAARN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000012417728 570657100 /nfs/dbraw/zinc/65/71/00/570657100.db2.gz YQAQHNKYVCCOCY-GASCZTMLSA-N 0 0 398.484 3.439 50 0 GGAARN CC(C)Cc1cn(C2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)nn1 ZINC000048403644 570657918 /nfs/dbraw/zinc/65/79/18/570657918.db2.gz IYQKOFLDKBMBMM-UHFFFAOYSA-N 0 0 378.480 3.140 50 0 GGAARN Cc1cc(=O)n(CC(=O)NCc2ccc(Cl)cc2)c(-c2ccc(F)cc2)n1 ZINC000169752665 570658062 /nfs/dbraw/zinc/65/80/62/570658062.db2.gz WMEMJWWRORLXLW-UHFFFAOYSA-N 0 0 385.826 3.328 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)c2c(OCC)cc(=O)n3c2CCCC3)cc1 ZINC000169752906 570658555 /nfs/dbraw/zinc/65/85/55/570658555.db2.gz XTCLHUREZMIOML-UHFFFAOYSA-N 0 0 384.432 3.012 50 0 GGAARN Cc1ccc(COC(=O)C2=CN(Cc3ccccc3)S(=O)(=O)N=C2C)c(C)c1 ZINC000169755152 570658889 /nfs/dbraw/zinc/65/88/89/570658889.db2.gz WGMCKZDQUJULJB-UHFFFAOYSA-N 0 0 398.484 3.452 50 0 GGAARN CN(CC[C@H](O)c1ccccc1)C(=O)c1cn(C/C=C/c2ccccc2)nn1 ZINC000012430627 570659141 /nfs/dbraw/zinc/65/91/41/570659141.db2.gz RARXCSBGDJFOLQ-MAIVGLDJSA-N 0 0 376.460 3.187 50 0 GGAARN Cc1cc(C)n(C[C@H](C)NC(=O)c2cc(COc3c(F)cccc3F)on2)n1 ZINC000012430884 570659168 /nfs/dbraw/zinc/65/91/68/570659168.db2.gz RHCRJPGLGXGGGQ-LBPRGKRZSA-N 0 0 390.390 3.164 50 0 GGAARN CC(=O)N1CCCN(c2nccc(-c3c(C)nn(-c4ccccc4)c3C)n2)CC1 ZINC000048501692 570659208 /nfs/dbraw/zinc/65/92/08/570659208.db2.gz NQWGHKSXHPLEHC-UHFFFAOYSA-N 0 0 390.491 3.005 50 0 GGAARN O=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1OC(F)(F)F ZINC000048513536 570659266 /nfs/dbraw/zinc/65/92/66/570659266.db2.gz AAPZCYXLDFKVND-UHFFFAOYSA-N 0 0 379.382 3.346 50 0 GGAARN COc1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(OC)cc4)[nH]n3)C2)cc1 ZINC000169753993 570660216 /nfs/dbraw/zinc/66/02/16/570660216.db2.gz VEGQYSAXZIXDCX-QGZVFWFLSA-N 0 0 392.459 3.103 50 0 GGAARN CCOc1ccccc1C(=O)N[C@H]1CCN(c2cc(-c3ccccc3)[nH]n2)C1 ZINC000169753872 570660227 /nfs/dbraw/zinc/66/02/27/570660227.db2.gz RAZKDRIDJQTXJQ-KRWDZBQOSA-N 0 0 376.460 3.484 50 0 GGAARN COc1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4cccs4)[nH]n3)C2)c(OC)c1 ZINC000169754189 570660539 /nfs/dbraw/zinc/66/05/39/570660539.db2.gz ZSTHYRVWOPTZLP-CYBMUJFWSA-N 0 0 398.488 3.164 50 0 GGAARN COc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cn1 ZINC000169754034 570660625 /nfs/dbraw/zinc/66/06/25/570660625.db2.gz MCAMYEWZTRPJJF-INIZCTEOSA-N 0 0 397.866 3.142 50 0 GGAARN COc1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4cccs4)[nH]n3)C2)cc1OC ZINC000169754191 570660678 /nfs/dbraw/zinc/66/06/78/570660678.db2.gz SLSPRIDPTSKLOU-CQSZACIVSA-N 0 0 398.488 3.164 50 0 GGAARN CC(C)N(Cc1nccn1C)C(=O)c1cn(Cc2cccc3ccccc32)nn1 ZINC000012433374 570660700 /nfs/dbraw/zinc/66/07/00/570660700.db2.gz DKPMNSYZOXCZCF-UHFFFAOYSA-N 0 0 388.475 3.264 50 0 GGAARN COc1ccc(CCNC(=O)CCC(=O)N[C@@H](C)c2ccccc2)cc1OC ZINC000004603525 570660961 /nfs/dbraw/zinc/66/09/61/570660961.db2.gz ZQFNLENFMFDGGN-INIZCTEOSA-N 0 0 384.476 3.020 50 0 GGAARN COc1cccc(CC(=O)N[C@@H]2CCN(c3cc(-c4cccs4)[nH]n3)C2)c1 ZINC000169754201 570660986 /nfs/dbraw/zinc/66/09/86/570660986.db2.gz OMAQLAGJVMZOIM-OAHLLOKOSA-N 0 0 382.489 3.084 50 0 GGAARN Cn1nc(C(=O)N[C@@H]2CCN(c3cc(-c4cccs4)[nH]n3)C2)c2ccccc21 ZINC000169754249 570660996 /nfs/dbraw/zinc/66/09/96/570660996.db2.gz YJZCVRIHEFNVCF-CYBMUJFWSA-N 0 0 392.488 3.034 50 0 GGAARN CC(=O)c1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]n1 ZINC000012433754 570661088 /nfs/dbraw/zinc/66/10/88/570661088.db2.gz OSDISCYSNZYIMZ-ZDUSSCGKSA-N 0 0 393.365 3.366 50 0 GGAARN O=C(c1cccc(Cl)c1)N1CCC(Cc2nc(-c3cnccn3)no2)CC1 ZINC000169754888 570661453 /nfs/dbraw/zinc/66/14/53/570661453.db2.gz VLHZEMKYWCKOAA-UHFFFAOYSA-N 0 0 383.839 3.275 50 0 GGAARN CC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4cccs4)[nH]n3)C2)cc1 ZINC000169759498 570661814 /nfs/dbraw/zinc/66/18/14/570661814.db2.gz ACVCHRJSLHTWAY-MRXNPFEDSA-N 0 0 395.488 3.105 50 0 GGAARN COc1ccccc1C(=O)N[C@@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000169759549 570661896 /nfs/dbraw/zinc/66/18/96/570661896.db2.gz HKJACMBIPGZIBP-MRXNPFEDSA-N 0 0 380.423 3.233 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccccc5)no4)c3CO2)cc1 ZINC000169758327 570662288 /nfs/dbraw/zinc/66/22/88/570662288.db2.gz WGLRORGTHOHAKA-KRWDZBQOSA-N 0 0 375.388 3.275 50 0 GGAARN COc1cccc([C@H]2Cn3nnc(-c4nc(-c5ccccc5)no4)c3CO2)c1 ZINC000169758442 570662402 /nfs/dbraw/zinc/66/24/02/570662402.db2.gz BYXLRPHTYIDUSS-QGZVFWFLSA-N 0 0 375.388 3.275 50 0 GGAARN CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)CSc2ncccn2)C1 ZINC000012437530 570662492 /nfs/dbraw/zinc/66/24/92/570662492.db2.gz SIWOOLYUIRHLTN-CQSZACIVSA-N 0 0 387.530 3.412 50 0 GGAARN CC(C)c1ccc(CNC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)cc1 ZINC000169760122 570662732 /nfs/dbraw/zinc/66/27/32/570662732.db2.gz KCGRZPGKKBYBNY-UHFFFAOYSA-N 0 0 392.503 3.205 50 0 GGAARN O=C(NC1CCCC1)c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 ZINC000169760216 570663343 /nfs/dbraw/zinc/66/33/43/570663343.db2.gz UQDOOYSSTSHYNF-UHFFFAOYSA-N 0 0 390.487 3.096 50 0 GGAARN COc1ccc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc4c(c2)OCO4)OC3)cc1 ZINC000169759826 570663691 /nfs/dbraw/zinc/66/36/91/570663691.db2.gz UAILRCXUQAQQIZ-FQEVSTJZSA-N 0 0 393.399 3.144 50 0 GGAARN O=C(Nc1ccc(Oc2ccccc2)nc1)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000012440242 570663992 /nfs/dbraw/zinc/66/39/92/570663992.db2.gz XYXWJLVYEKMGBC-LJQANCHMSA-N 0 0 395.459 3.230 50 0 GGAARN NC(=O)[C@@H]1CCCN(Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)C1 ZINC000005589973 570664118 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CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2c(C)nc3ncccn32)C1 ZINC000012444457 570665595 /nfs/dbraw/zinc/66/55/95/570665595.db2.gz COTYECATGANMPZ-HNNXBMFYSA-N 0 0 394.500 3.495 50 0 GGAARN O=C([C@@H]1CCC(=O)N(Cc2ccccn2)C1)N1CCC(c2ccccc2)CC1 ZINC000012443749 570665605 /nfs/dbraw/zinc/66/56/05/570665605.db2.gz BBBDLQBMHRZHHB-HXUWFJFHSA-N 0 0 377.488 3.226 50 0 GGAARN COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(-n3ccnc3C)cc2)o1 ZINC000012446822 570666543 /nfs/dbraw/zinc/66/65/43/570666543.db2.gz UKYPSJXRIYPCMW-KRWDZBQOSA-N 0 0 394.431 3.026 50 0 GGAARN CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)c1csc2nc(-c3ccccc3)cn12 ZINC000012447600 570667250 /nfs/dbraw/zinc/66/72/50/570667250.db2.gz VVJSRGQBNISOIS-HNNXBMFYSA-N 0 0 382.489 3.192 50 0 GGAARN COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)n2)cc1 ZINC000012414374 570668348 /nfs/dbraw/zinc/66/83/48/570668348.db2.gz GTGDBKFCOSSBQU-AWEZNQCLSA-N 0 0 393.399 3.037 50 0 GGAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2cnc3ccccc3n2)CC1 ZINC000012414756 570668840 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570674021 /nfs/dbraw/zinc/67/40/21/570674021.db2.gz UBNDEWIRRGJXJY-FQEVSTJZSA-N 0 0 385.508 3.017 50 0 biogenic GGAARN CCOC(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)c1c(O)cc(C)[nH]c1=O ZINC000072326068 570674087 /nfs/dbraw/zinc/67/40/87/570674087.db2.gz WPGDPCICJYUEJG-HNNXBMFYSA-N 0 0 389.448 3.270 50 0 biogenic GGAARN Cc1nc([C@@H]2CCOC2)sc1C(=O)NCc1ccc(-c2ccnn2C)cc1 ZINC000685941330 570675017 /nfs/dbraw/zinc/67/50/17/570675017.db2.gz KXBCMCJQOBENML-MRXNPFEDSA-N 0 0 382.489 3.286 50 0 GGAARN COc1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000072330823 570675702 /nfs/dbraw/zinc/67/57/02/570675702.db2.gz RKPWTNJPCULQLR-RXNMKEHESA-N 0 0 381.428 3.064 50 0 GGAARN CCOc1ccc(CC(=O)OCC(=O)Nc2ccccc2F)cc1OCC ZINC000072330917 570675797 /nfs/dbraw/zinc/67/57/97/570675797.db2.gz NAXMRRHGIOZYTJ-UHFFFAOYSA-N 0 0 375.396 3.348 50 0 GGAARN Cc1ccccc1-c1nc(SC2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004341306 570676158 /nfs/dbraw/zinc/67/61/58/570676158.db2.gz QCQIJCSLJJBLJV-UHFFFAOYSA-N 0 0 382.489 3.037 50 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ZINC000055054646 570680568 /nfs/dbraw/zinc/68/05/68/570680568.db2.gz LYPLXNINLCWYGG-UHFFFAOYSA-N 0 0 379.460 3.037 50 0 GGAARN C[C@@H](C(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1)N1CCCC1=O ZINC000055060876 570680905 /nfs/dbraw/zinc/68/09/05/570680905.db2.gz WKTPJFALXMRIMD-INIZCTEOSA-N 0 0 379.460 3.207 50 0 GGAARN CCCCOc1ccc(N[C@@](NC(C)=O)(C(=O)OCC)C(F)(F)F)cc1 ZINC000005655334 570681024 /nfs/dbraw/zinc/68/10/24/570681024.db2.gz PYNZFQNLFOYVGY-INIZCTEOSA-N 0 0 376.375 3.235 50 0 GGAARN Cc1cc(OCc2cc(C(=O)N3CCN(C)[C@@H](C)C3)no2)cc(C)c1Cl ZINC000055060851 570681033 /nfs/dbraw/zinc/68/10/33/570681033.db2.gz HYNPGNMBDNWQPB-AWEZNQCLSA-N 0 0 377.872 3.300 50 0 GGAARN O=C(Nc1ccnn1C1CCN(C(=O)c2cc(F)c(F)cc2F)CC1)C1CC1 ZINC000012570291 570681114 /nfs/dbraw/zinc/68/11/14/570681114.db2.gz DLPINGVIZCQPSC-UHFFFAOYSA-N 0 0 392.381 3.126 50 0 GGAARN CCc1ccc(CN(CCOC)C(=O)c2cn(C)c3ccccc3c2=O)cc1 ZINC000055060471 570681151 /nfs/dbraw/zinc/68/11/51/570681151.db2.gz PFGALQRIWPXFPD-UHFFFAOYSA-N 0 0 378.472 3.390 50 0 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/nfs/dbraw/zinc/68/23/37/570682337.db2.gz IYCNDTGXNAKGFE-QFIPXVFZSA-N 0 0 388.508 3.091 50 0 GGAARN C[C@@H](c1ccon1)N(C)Cc1cnc(S(C)(=O)=O)n1CC1CCCCC1 ZINC000055098898 570682399 /nfs/dbraw/zinc/68/23/99/570682399.db2.gz CRMDNVNRCUWXEJ-AWEZNQCLSA-N 0 0 380.514 3.048 50 0 GGAARN Cc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3csc(C)n3)C2)o1 ZINC000012577164 570682755 /nfs/dbraw/zinc/68/27/55/570682755.db2.gz SHUFUFYLCCUGQE-OAHLLOKOSA-N 0 0 375.494 3.302 50 0 GGAARN Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)Cc1c(C)nc(N)nc1C ZINC000055108112 570683450 /nfs/dbraw/zinc/68/34/50/570683450.db2.gz MEAOTKUJZLWADY-UHFFFAOYSA-N 0 0 382.493 3.348 50 0 GGAARN COc1ccc(CN2C(=O)O[C@@H]3CN(Cc4cccc(F)c4)C[C@@H]32)cc1OC ZINC000055119826 570684110 /nfs/dbraw/zinc/68/41/10/570684110.db2.gz SEPKQTTVDMUCPY-FXAWDEMLSA-N 0 0 386.423 3.048 50 0 GGAARN O=C(c1ccco1)N1CCc2ccc(NS(=O)(=O)c3ccccc3)cc2C1 ZINC000008977169 570684132 /nfs/dbraw/zinc/68/41/32/570684132.db2.gz FQGMHYJLHONGLI-UHFFFAOYSA-N 0 0 382.441 3.279 50 0 GGAARN COc1ccccc1Cn1c(=O)c(CCO)c(C)nc1-c1cccc(Cl)c1 ZINC000169775253 570684250 /nfs/dbraw/zinc/68/42/50/570684250.db2.gz LLHCXKMYXJEIDI-UHFFFAOYSA-N 0 0 384.863 3.464 50 0 GGAARN COc1ccccc1[C@H]1CCCN1C(=O)c1cn(Cc2ccccc2F)nn1 ZINC000012582640 570684371 /nfs/dbraw/zinc/68/43/71/570684371.db2.gz RNSLHNYFPYDOJP-LJQANCHMSA-N 0 0 380.423 3.451 50 0 GGAARN COC(=O)[C@@H]1C[C@H](C(=O)NCCc2ccccc2C)[C@H](c2ccccc2F)N1C ZINC000055133929 570684642 /nfs/dbraw/zinc/68/46/42/570684642.db2.gz LUYUGOOKDGPBTI-JBACZVJFSA-N 0 0 398.478 3.027 50 0 GGAARN Cc1ccc(-c2cc3c(=O)n(CCNC(=O)C4CCCCC4)ccn3n2)cc1C ZINC000169775940 570684791 /nfs/dbraw/zinc/68/47/91/570684791.db2.gz SAALVBNJWDIBHM-UHFFFAOYSA-N 0 0 392.503 3.476 50 0 GGAARN CC(C)c1noc(-c2cccn3c(CNC(=O)CC4CCCCC4)nnc23)n1 ZINC000169775932 570684802 /nfs/dbraw/zinc/68/48/02/570684802.db2.gz OXDSMMRQMAVEEK-UHFFFAOYSA-N 0 0 382.468 3.489 50 0 GGAARN Cc1nnc(CCNC(=O)c2ccc3oc(CCc4ccccc4)nc3c2)[nH]1 ZINC000012584878 570685028 /nfs/dbraw/zinc/68/50/28/570685028.db2.gz CORCQISGUHRAPJ-UHFFFAOYSA-N 0 0 375.432 3.012 50 0 GGAARN C[C@@H](C(=O)NCc1nnc2c(-c3nc(C4CC4)no3)cccn12)c1ccccc1 ZINC000169776082 570685131 /nfs/dbraw/zinc/68/51/31/570685131.db2.gz RCHSPKVNRNCWHY-CYBMUJFWSA-N 0 0 388.431 3.077 50 0 GGAARN CCCc1noc(-c2cccn3c(CNC(=O)c4cccc(Cl)c4)nnc23)n1 ZINC000169776055 570685187 /nfs/dbraw/zinc/68/51/87/570685187.db2.gz ZAXNGENNXDJWQX-UHFFFAOYSA-N 0 0 396.838 3.315 50 0 GGAARN Cc1cc(C)cc(C(=O)NCc2nnc3c(-c4nc(C5CC5)no4)cccn23)c1 ZINC000169776089 570685226 /nfs/dbraw/zinc/68/52/26/570685226.db2.gz HTWVMQXGJKRSOL-UHFFFAOYSA-N 0 0 388.431 3.204 50 0 GGAARN Cc1cc(C)cc(C(=O)NCc2nnc3c(-c4nc(C(C)C)no4)cccn23)c1 ZINC000169776102 570685246 /nfs/dbraw/zinc/68/52/46/570685246.db2.gz UQFJOYFMCRGZEM-UHFFFAOYSA-N 0 0 390.447 3.450 50 0 GGAARN CS(=O)(=O)CC(=O)Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1 ZINC000055153432 570685293 /nfs/dbraw/zinc/68/52/93/570685293.db2.gz DRNHIXXQQHBNLE-PKNBQFBNSA-N 0 0 382.441 3.094 50 0 GGAARN O=C(Cn1cnc2sccc2c1=O)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000169774034 570685455 /nfs/dbraw/zinc/68/54/55/570685455.db2.gz XKEORLFAHDLNNK-MRXNPFEDSA-N 0 0 378.457 3.133 50 0 GGAARN Cc1cc(-c2nnc(CCC(=O)NCc3ccc(OC(F)(F)F)cc3)o2)no1 ZINC000012586071 570685666 /nfs/dbraw/zinc/68/56/66/570685666.db2.gz UXCFSMPGEDKGQN-UHFFFAOYSA-N 0 0 396.325 3.181 50 0 GGAARN Cc1ccc(C)c(C(=O)NCc2nnc3cc(-c4nc(C(C)C)no4)ccn32)c1 ZINC000169776262 570685683 /nfs/dbraw/zinc/68/56/83/570685683.db2.gz FJJTZLKGCQLASX-UHFFFAOYSA-N 0 0 390.447 3.450 50 0 GGAARN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)CCSC)C1 ZINC000012587163 570685685 /nfs/dbraw/zinc/68/56/85/570685685.db2.gz BIJSHQZZYYBPQB-FQEVSTJZSA-N 0 0 379.522 3.163 50 0 GGAARN COCCN(Cc1cccs1)C(=O)[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000055169022 570685736 /nfs/dbraw/zinc/68/57/36/570685736.db2.gz LFQXOIUICYYHJM-SFHVURJKSA-N 0 0 378.538 3.294 50 0 GGAARN COc1ccc(-c2n[nH]cc2CNC(=O)CC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000055168166 570685747 /nfs/dbraw/zinc/68/57/47/570685747.db2.gz YXUWOMKZUMUYSM-UHFFFAOYSA-N 0 0 392.459 3.347 50 0 GGAARN COc1ccc2c(C)c(CCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(=O)oc2c1 ZINC000015954069 570686007 /nfs/dbraw/zinc/68/60/07/570686007.db2.gz PFTLRKTYYFZVAK-QMHKHESXSA-N 0 0 399.487 3.196 50 0 biogenic GGAARN COc1ccc2c(C)c(CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(=O)oc2c1C ZINC000015954395 570686046 /nfs/dbraw/zinc/68/60/46/570686046.db2.gz SVFILLKMUZNIAA-MWTRTKDXSA-N 0 0 399.487 3.115 50 0 biogenic GGAARN CSc1cccc(NC(=O)Cn2c(C)cc3nc4n(c(=O)c32)CCCC4)c1 ZINC000169777257 570686045 /nfs/dbraw/zinc/68/60/45/570686045.db2.gz QWCRAONARRCGKQ-UHFFFAOYSA-N 0 0 382.489 3.203 50 0 GGAARN CCc1cccc(NC(=O)CCC(=O)N2CCN(c3cccc(C)n3)CC2)c1 ZINC000055196111 570686169 /nfs/dbraw/zinc/68/61/69/570686169.db2.gz VNFRIAAIYIAPHF-UHFFFAOYSA-N 0 0 380.492 3.020 50 0 GGAARN Cc1c(O)ccc2c(C)c(CCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(=O)oc12 ZINC000016032588 570686451 /nfs/dbraw/zinc/68/64/51/570686451.db2.gz BPXMFZBVPOADGH-QMHKHESXSA-N 0 0 399.487 3.202 50 0 biogenic GGAARN CC(C)c1noc(-c2cccn3c(CNC(=O)/C=C/c4ccccc4)nnc23)n1 ZINC000169776322 570686439 /nfs/dbraw/zinc/68/64/39/570686439.db2.gz DTNQZIFXKGDBMI-ZHACJKMWSA-N 0 0 388.431 3.232 50 0 GGAARN O=C(NCc1nnc2cc(-c3nc(C4CC4)no3)ccn21)c1ccccc1Cl ZINC000169776318 570686495 /nfs/dbraw/zinc/68/64/95/570686495.db2.gz YNXZWRYCJFGEHV-UHFFFAOYSA-N 0 0 394.822 3.240 50 0 GGAARN Cc1ccc(C(=O)NCc2nnc3cc(-c4nc(C(C)C)no4)ccn32)cc1F ZINC000169776341 570686521 /nfs/dbraw/zinc/68/65/21/570686521.db2.gz HSVZJJONZKECIC-UHFFFAOYSA-N 0 0 394.410 3.280 50 0 GGAARN CCOC(=O)C[C@H](NC(=O)c1ccc(NC(=O)C2CCC2)cc1)C(F)(F)F ZINC000055197946 570686708 /nfs/dbraw/zinc/68/67/08/570686708.db2.gz WECKYRLWNXKPDV-AWEZNQCLSA-N 0 0 386.370 3.039 50 0 GGAARN CC(C)c1noc(-c2cn([C@@H]3CCN(C(=O)c4cccc(Cl)c4)C3)nn2)n1 ZINC000169778156 570687218 /nfs/dbraw/zinc/68/72/18/570687218.db2.gz KWCYOVPEKVEKCR-CQSZACIVSA-N 0 0 386.843 3.192 50 0 GGAARN Cc1ccc(C(=O)N2CC[C@@H](n3cc(-c4nc(C(C)C)no4)nn3)C2)cc1C ZINC000169778170 570687247 /nfs/dbraw/zinc/68/72/47/570687247.db2.gz VYTHRRWOXKZPLD-MRXNPFEDSA-N 0 0 380.452 3.156 50 0 GGAARN O=C1O[C@@H]2CN(Cc3ccc4c(c3)CCO4)C[C@@H]2N1CCc1ccc(F)cc1 ZINC000055211803 570687231 /nfs/dbraw/zinc/68/72/31/570687231.db2.gz UVYJYQWVVOKOAN-PZJWPPBQSA-N 0 0 382.435 3.008 50 0 GGAARN CC(C)c1noc(-c2cn([C@H]3CCN(C(=O)c4cc5ccccc5[nH]4)C3)nn2)n1 ZINC000169778153 570687293 /nfs/dbraw/zinc/68/72/93/570687293.db2.gz WYPGCWUEGUVXEG-AWEZNQCLSA-N 0 0 391.435 3.020 50 0 GGAARN Cc1cccc2[nH]c(CCNC(=O)CCCc3nc(-c4ccco4)no3)nc21 ZINC000055211392 570687319 /nfs/dbraw/zinc/68/73/19/570687319.db2.gz FINSWCDJXZWTAB-UHFFFAOYSA-N 0 0 379.420 3.196 50 0 GGAARN COc1ccc(CCN2C[C@H](C(=O)NCCc3ccccc3C)CCC2=O)cc1 ZINC000012592364 570687750 /nfs/dbraw/zinc/68/77/50/570687750.db2.gz PWYWBJIZXSOBOY-OAQYLSRUSA-N 0 0 394.515 3.144 50 0 GGAARN COc1ccc(Cl)cc1C(=O)NCc1nnc2ccc(-c3ccccc3)nn21 ZINC000169778301 570687736 /nfs/dbraw/zinc/68/77/36/570687736.db2.gz KPBGHGFVEDARNG-UHFFFAOYSA-N 0 0 393.834 3.383 50 0 GGAARN COc1ccc(NC(=O)CC(=O)N[C@H](C)Cn2ccc3ccccc32)c(OC)c1 ZINC000055225397 570687878 /nfs/dbraw/zinc/68/78/78/570687878.db2.gz PKKXPFQZSBGNKM-OAHLLOKOSA-N 0 0 395.459 3.192 50 0 GGAARN CCc1csc(CCNC(=O)CCc2nc(-c3ccccc3OC)no2)n1 ZINC000055212143 570688067 /nfs/dbraw/zinc/68/80/67/570688067.db2.gz OEEQVLQRBOAQTI-UHFFFAOYSA-N 0 0 386.477 3.056 50 0 GGAARN COc1ccc(C(=O)NCc2cccc(C)c2)cc1OC1CCN(C(C)=O)CC1 ZINC000012593609 570688273 /nfs/dbraw/zinc/68/82/73/570688273.db2.gz CRTFJDHSCZRODJ-UHFFFAOYSA-N 0 0 396.487 3.323 50 0 GGAARN CC(=O)c1ccc(NC(=O)N2CCC(n3cc(-c4cccnc4)nn3)CC2)cc1 ZINC000055227789 570688328 /nfs/dbraw/zinc/68/83/28/570688328.db2.gz ONSDWJHIBCEUAV-UHFFFAOYSA-N 0 0 390.447 3.412 50 0 GGAARN Cc1ccc(-c2ccc3nnc(CNC(=O)Cc4ccc(F)cc4)n3n2)cc1C ZINC000169778579 570688558 /nfs/dbraw/zinc/68/85/58/570688558.db2.gz BKMIGELLPIHDAX-UHFFFAOYSA-N 0 0 389.434 3.406 50 0 GGAARN COc1ccc(/C=C/C(=O)NCc2nnc3ccc(-c4ccc(C)cc4)nn32)cc1 ZINC000169778608 570688596 /nfs/dbraw/zinc/68/85/96/570688596.db2.gz CSJSNWXGUNIAIG-VGOFMYFVSA-N 0 0 399.454 3.438 50 0 GGAARN COc1ccc(-c2ccc3nnc(CNC(=O)CCc4ccccc4)n3n2)cc1 ZINC000169778540 570688721 /nfs/dbraw/zinc/68/87/21/570688721.db2.gz HOORUJQYDGFXCL-UHFFFAOYSA-N 0 0 387.443 3.049 50 0 GGAARN Cc1cc(C)cc(OCCCN(C)C(=O)c2nn(C)c(=O)c3ccccc32)c1 ZINC000055252574 570688768 /nfs/dbraw/zinc/68/87/68/570688768.db2.gz UDVGOAGDWZOTPP-UHFFFAOYSA-N 0 0 379.460 3.091 50 0 GGAARN COc1ccccc1CN(C(=O)c1ccc(C)c(N2CCNC2=O)c1)C1CC1 ZINC000055243882 570688812 /nfs/dbraw/zinc/68/88/12/570688812.db2.gz DFJLINXXMVJAHL-UHFFFAOYSA-N 0 0 379.460 3.338 50 0 GGAARN COc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(SC)nc3)C2)c(OC)c1 ZINC000055245006 570688826 /nfs/dbraw/zinc/68/88/26/570688826.db2.gz HPXIGIQJXXGTEO-OAHLLOKOSA-N 0 0 387.505 3.311 50 0 GGAARN COc1ccc(F)c(CN2CCC[C@]3(CCN(c4nc(C)cc(C)n4)C3)C2=O)c1 ZINC000012595760 570689342 /nfs/dbraw/zinc/68/93/42/570689342.db2.gz CJHUPDFQVDOEKZ-JOCHJYFZSA-N 0 0 398.482 3.260 50 0 GGAARN COc1c(F)cc(CN(CCN2CCOCC2)Cc2ccco2)cc1Cl ZINC000055254207 570689371 /nfs/dbraw/zinc/68/93/71/570689371.db2.gz HUWKPHXOTMARGG-UHFFFAOYSA-N 0 0 382.863 3.415 50 0 GGAARN O=C(NC1Cc2ccccc2C1)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000012596543 570689508 /nfs/dbraw/zinc/68/95/08/570689508.db2.gz KDOIGMLHJQHJHV-NRFANRHFSA-N 0 0 376.500 3.141 50 0 GGAARN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC000012597232 570689554 /nfs/dbraw/zinc/68/95/54/570689554.db2.gz ANWLPTSBRLNSSA-GOSISDBHSA-N 0 0 380.423 3.088 50 0 GGAARN CCCc1cc(C(=O)N2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)n(C)n1 ZINC000012597185 570689680 /nfs/dbraw/zinc/68/96/80/570689680.db2.gz WWYMOJXPQSCAFG-OAQYLSRUSA-N 0 0 391.462 3.108 50 0 GGAARN Cc1oc(-c2cc(F)ccc2F)nc1CN1CCCN(c2ncccn2)CC1 ZINC000055270925 570689663 /nfs/dbraw/zinc/68/96/63/570689663.db2.gz YVQZEZCRDWTQGR-UHFFFAOYSA-N 0 0 385.418 3.431 50 0 GGAARN CCCc1cc(C(=O)N2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)n(C)n1 ZINC000012597188 570689742 /nfs/dbraw/zinc/68/97/42/570689742.db2.gz WWYMOJXPQSCAFG-NRFANRHFSA-N 0 0 391.462 3.108 50 0 GGAARN COc1ccc(Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)cc1 ZINC000012446397 570689899 /nfs/dbraw/zinc/68/98/99/570689899.db2.gz YNOUHGLCBZRGSE-UHFFFAOYSA-N 0 0 387.439 3.221 50 0 GGAARN CCCc1noc(-c2cn(C3CCN(C(=O)c4ccc(C)c(F)c4)CC3)nn2)n1 ZINC000169780428 570689956 /nfs/dbraw/zinc/68/99/56/570689956.db2.gz XRKLFVVDKFZVDM-UHFFFAOYSA-N 0 0 398.442 3.205 50 0 GGAARN COc1ccc(NC(=O)CC(=O)Nc2c(C)cnn2Cc2cccc(F)c2)cc1 ZINC000055282478 570690339 /nfs/dbraw/zinc/69/03/39/570690339.db2.gz XBSQJHCKSXHZCZ-UHFFFAOYSA-N 0 0 396.422 3.355 50 0 GGAARN O=C(CCn1cnnn1)Nc1ccccc1/C=C/c1ccc2cccc(O)c2n1 ZINC000055282156 570690342 /nfs/dbraw/zinc/69/03/42/570690342.db2.gz YVODRBUONZTGOV-CSKARUKUSA-N 0 0 386.415 3.126 50 0 GGAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)N1CCCc2ccccc21)CCCCC3 ZINC000169780971 570690362 /nfs/dbraw/zinc/69/03/62/570690362.db2.gz DCOPHDSHPWNVDN-UHFFFAOYSA-N 0 0 390.487 3.212 50 0 GGAARN O=C(NCc1ccc(F)c(F)c1)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000012612365 570690532 /nfs/dbraw/zinc/69/05/32/570690532.db2.gz XTMJWIYNGUGFAA-UHFFFAOYSA-N 0 0 388.326 3.191 50 0 GGAARN Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)n(C)n1 ZINC000012612020 570690593 /nfs/dbraw/zinc/69/05/93/570690593.db2.gz AAYILTBOWPSKBN-KRWDZBQOSA-N 0 0 381.455 3.497 50 0 GGAARN CC(C)c1nc(CCN(C)C(=O)[C@H](C)N2c3cccc4cccc(c34)C2=O)no1 ZINC000055308223 570690705 /nfs/dbraw/zinc/69/07/05/570690705.db2.gz HKHVAPKMWRXMTK-AWEZNQCLSA-N 0 0 392.459 3.396 50 0 GGAARN COc1ccc(-c2ccc(=O)n(CCCNC(=O)c3ccc(C)cc3)n2)cc1 ZINC000013795825 570690749 /nfs/dbraw/zinc/69/07/49/570690749.db2.gz FUZRFQSLWNREKI-UHFFFAOYSA-N 0 0 377.444 3.047 50 0 GGAARN O=C(c1ccccn1)N1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000169779539 570690764 /nfs/dbraw/zinc/69/07/64/570690764.db2.gz SADYKSZRQMYJDN-UHFFFAOYSA-N 0 0 381.867 3.478 50 0 GGAARN CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)Cc1cnc2c(C)cccn12 ZINC000055309047 570690791 /nfs/dbraw/zinc/69/07/91/570690791.db2.gz DMZDCWJRLZOTMP-UHFFFAOYSA-N 0 0 375.476 3.461 50 0 GGAARN CC(C)(C)C(=O)N1CCN(Cc2ccccc2OCCCCn2ccnc2)CC1 ZINC000055308767 570690814 /nfs/dbraw/zinc/69/08/14/570690814.db2.gz ZUDHZIVUVWGDKY-UHFFFAOYSA-N 0 0 398.551 3.433 50 0 GGAARN COc1cccc(CN(CC(C)C)C(=O)Cn2nc(C)c3ccccc3c2=O)c1 ZINC000055308599 570690838 /nfs/dbraw/zinc/69/08/38/570690838.db2.gz NYNKLIFEENKJLT-UHFFFAOYSA-N 0 0 393.487 3.398 50 0 GGAARN C[C@@H](NCc1c(C(=O)N2CCOCC2)nc2ccccn21)c1ccccc1Cl ZINC000055325610 570691383 /nfs/dbraw/zinc/69/13/83/570691383.db2.gz UAZIYQCGMOGRIC-OAHLLOKOSA-N 0 0 398.894 3.311 50 0 GGAARN Cc1nnc(CCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)[nH]1 ZINC000055309916 570691396 /nfs/dbraw/zinc/69/13/96/570691396.db2.gz OLYNDHRLYSAMLQ-UHFFFAOYSA-N 0 0 377.448 3.256 50 0 GGAARN COCCN(Cc1sccc1C)C(=O)[C@@H]1CC(=O)Nc2ccc(F)cc21 ZINC000055326133 570691411 /nfs/dbraw/zinc/69/14/11/570691411.db2.gz BKMIYODKCJLSGH-OAHLLOKOSA-N 0 0 376.453 3.297 50 0 GGAARN CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cn2c3c(cccc3c1=O)CC2 ZINC000055342106 570691790 /nfs/dbraw/zinc/69/17/90/570691790.db2.gz GIIBVDIHQLZODG-UHFFFAOYSA-N 0 0 385.423 3.485 50 0 GGAARN CCOC(=O)c1cn([C@H](CO)CCSC)cc(Oc2ccccc2)c1=O ZINC000055342126 570691836 /nfs/dbraw/zinc/69/18/36/570691836.db2.gz LXBDMDRHHVFADU-AWEZNQCLSA-N 0 0 377.462 3.104 50 0 GGAARN Cc1ccc(OCCN(C)C(=O)C2(S(=O)(=O)c3ccccc3)CC2)c(C)c1 ZINC000055344314 570692226 /nfs/dbraw/zinc/69/22/26/570692226.db2.gz ULKJMDKIFJCBBC-UHFFFAOYSA-N 0 0 387.501 3.147 50 0 GGAARN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1O ZINC000012629248 570692315 /nfs/dbraw/zinc/69/23/15/570692315.db2.gz DRDSLKNLGFFMSR-LICLKQGHSA-N 0 0 398.440 3.384 50 0 GGAARN O=C(C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NC1CCCCCC1 ZINC000055369882 570692932 /nfs/dbraw/zinc/69/29/32/570692932.db2.gz UEIREUUDIXYNPT-SFHVURJKSA-N 0 0 395.906 3.009 50 0 GGAARN CCCN(Cc1nccn1C)C(=O)CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000055385601 570693704 /nfs/dbraw/zinc/69/37/04/570693704.db2.gz OFSPMFANVZXDRC-UHFFFAOYSA-N 0 0 380.851 3.370 50 0 GGAARN Cc1cc(C(=O)Nc2ccc(NC(=O)c3c(C)cc(C)n(C)c3=O)cc2)co1 ZINC000055392773 570693752 /nfs/dbraw/zinc/69/37/52/570693752.db2.gz 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Cn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccc(F)cc1 ZINC000036612017 570756656 /nfs/dbraw/zinc/75/66/56/570756656.db2.gz GCTPBMHEOMERSI-UHFFFAOYSA-N 0 0 385.420 3.367 50 0 GGAARN Cc1cccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccncc3)c(=O)[nH]c12 ZINC000013540694 570756762 /nfs/dbraw/zinc/75/67/62/570756762.db2.gz XBVKDAMWBHOWNK-IBGZPJMESA-N 0 0 377.444 3.053 50 0 GGAARN O=C(Nc1ccccc1)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000013549236 570757409 /nfs/dbraw/zinc/75/74/09/570757409.db2.gz CRWSTCXWJZNLEH-HNNXBMFYSA-N 0 0 379.445 3.092 50 0 GGAARN COc1ccc2c(C)c(CC(=O)N[C@H](C)CCc3ccco3)c(=O)oc2c1OC ZINC000013549077 570757474 /nfs/dbraw/zinc/75/74/74/570757474.db2.gz ZMPGHZRBXRYZQN-CYBMUJFWSA-N 0 0 399.443 3.392 50 0 biogenic GGAARN CCCC(=O)N=c1[nH]c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2s1 ZINC000013550452 570757838 /nfs/dbraw/zinc/75/78/38/570757838.db2.gz BLTXZJFWUDMWLQ-UHFFFAOYSA-N 0 0 397.456 3.480 50 0 GGAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc(C)cc(C)n2)cc1O ZINC000013550351 570757850 /nfs/dbraw/zinc/75/78/50/570757850.db2.gz LYEZKTSBOKPXDI-CQSZACIVSA-N 0 0 379.420 3.425 50 0 GGAARN COc1cc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)ccc1OCC(N)=O ZINC000013551890 570757933 /nfs/dbraw/zinc/75/79/33/570757933.db2.gz KBOCPTDMMRFUPO-AWEZNQCLSA-N 0 0 392.415 3.073 50 0 GGAARN CCn1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3C)n1 ZINC000036614308 570758001 /nfs/dbraw/zinc/75/80/01/570758001.db2.gz WZCXFFKUWLZMQM-UHFFFAOYSA-N 0 0 390.447 3.421 50 0 GGAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C)cc1 ZINC000013556766 570758230 /nfs/dbraw/zinc/75/82/30/570758230.db2.gz CIURKCQXEYADEO-NDXORKPFSA-N 0 0 379.504 3.179 50 0 GGAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccc(C)nn2)CC1 ZINC000065361891 570759691 /nfs/dbraw/zinc/75/96/91/570759691.db2.gz PJESPRFYZHEIMA-UHFFFAOYSA-N 0 0 397.866 3.364 50 0 GGAARN COc1ccc2[nH]c(=O)c(CN(c3ccc(C)cc3C)S(C)(=O)=O)cc2c1 ZINC000013575739 570759692 /nfs/dbraw/zinc/75/96/92/570759692.db2.gz UGBNLSDXDMXWEP-UHFFFAOYSA-N 0 0 386.473 3.120 50 0 GGAARN CCn1cc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3onc(C)c32)cn1 ZINC000036618535 570759822 /nfs/dbraw/zinc/75/98/22/570759822.db2.gz QJVKSONJJHDMIB-UHFFFAOYSA-N 0 0 391.387 3.396 50 0 GGAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@H](c1ccc(F)cc1)CC(=O)N2 ZINC000065362932 570760220 /nfs/dbraw/zinc/76/02/20/570760220.db2.gz NAFFMZCYJAADGS-INIZCTEOSA-N 0 0 392.438 3.184 50 0 GGAARN CCc1ccc(NC(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)cc1 ZINC000065363662 570760558 /nfs/dbraw/zinc/76/05/58/570760558.db2.gz LNHQPXUJQBSTRL-UHFFFAOYSA-N 0 0 379.468 3.075 50 0 GGAARN Cc1ccc(C(=O)Nc2ccc(F)cc2F)cc1S(=O)(=O)N1CCCC1 ZINC000065364117 570760675 /nfs/dbraw/zinc/76/06/75/570760675.db2.gz VYBMYCWZLIGWQZ-UHFFFAOYSA-N 0 0 380.416 3.310 50 0 GGAARN CCCn1nc(C)cc1NC(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c21 ZINC000036618898 570760667 /nfs/dbraw/zinc/76/06/67/570760667.db2.gz SLVOZEFXCAQQEL-UHFFFAOYSA-N 0 0 379.424 3.099 50 0 GGAARN C[C@@H](CCn1cccn1)NC(=O)c1cc(COc2ccc(F)cc2Cl)on1 ZINC000013593692 570760969 /nfs/dbraw/zinc/76/09/69/570760969.db2.gz VUAHEAFFNUTIKP-LBPRGKRZSA-N 0 0 392.818 3.451 50 0 GGAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@@H](c1cccs1)CC(=O)N2 ZINC000065365084 570761164 /nfs/dbraw/zinc/76/11/64/570761164.db2.gz KWEMBUOXDHNZBO-CYBMUJFWSA-N 0 0 380.477 3.107 50 0 GGAARN COCCCNC(=O)CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1 ZINC000013595095 570761371 /nfs/dbraw/zinc/76/13/71/570761371.db2.gz VYYHOETWKONPOA-UHFFFAOYSA-N 0 0 379.460 3.413 50 0 GGAARN CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)C2=C(C)OCCO2)CC1 ZINC000013595303 570761538 /nfs/dbraw/zinc/76/15/38/570761538.db2.gz RCDAPEDRAMDRSP-UHFFFAOYSA-N 0 0 387.476 3.069 50 0 GGAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)Cc2nonc2C)CC1 ZINC000013595688 570761563 /nfs/dbraw/zinc/76/15/63/570761563.db2.gz CBTQFLBRUKPNJF-UHFFFAOYSA-N 0 0 399.491 3.115 50 0 GGAARN CCN(Cc1cnc(-c2cccc3ccccc32)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000065370755 570761575 /nfs/dbraw/zinc/76/15/75/570761575.db2.gz SRUFRVDJTRVKSU-GOSISDBHSA-N 0 0 381.501 3.306 50 0 GGAARN O=C(CCc1cnccn1)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000013594722 570761595 /nfs/dbraw/zinc/76/15/95/570761595.db2.gz QZCHLQWUJMTREY-QGZVFWFLSA-N 0 0 383.402 3.067 50 0 GGAARN Cc1cc(C)n(CCc2c(-c3ccccc3)ncn2CCc2cc(=O)[nH]cn2)n1 ZINC000065366027 570761709 /nfs/dbraw/zinc/76/17/09/570761709.db2.gz XSIIOSSOEGKVBG-UHFFFAOYSA-N 0 0 388.475 3.344 50 0 GGAARN Cc1nn(C)cc1-c1c(-c2ccccc2)ncn1CCNC(=O)c1ccncc1 ZINC000065372542 570762060 /nfs/dbraw/zinc/76/20/60/570762060.db2.gz DXPZFXALDXXZNG-UHFFFAOYSA-N 0 0 386.459 3.084 50 0 GGAARN Cc1cc(OC2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)cc(=O)o1 ZINC000206971137 570762781 /nfs/dbraw/zinc/76/27/81/570762781.db2.gz MESJIBZPIHILKK-UHFFFAOYSA-N 0 0 380.400 3.287 50 0 GGAARN Cc1ccc(-n2c(=O)[nH]nc2[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1Cl ZINC000065380668 570762980 /nfs/dbraw/zinc/76/29/80/570762980.db2.gz NAAXDDAHXKSZKU-HNNXBMFYSA-N 0 0 382.851 3.039 50 0 GGAARN CCOC(=O)c1cn(Cc2nc(C(C)C)no2)cc(Oc2ccccc2)c1=O ZINC000065381729 570763027 /nfs/dbraw/zinc/76/30/27/570763027.db2.gz VFXYAYCKFWFOFO-UHFFFAOYSA-N 0 0 383.404 3.372 50 0 GGAARN O=C(N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1)C1(Cn2ccnc2)CC1 ZINC000065382329 570763137 /nfs/dbraw/zinc/76/31/37/570763137.db2.gz XIMSRAWDHODTEE-LEWJYISDSA-N 0 0 375.472 3.194 50 0 GGAARN Nc1nnc([C@H](NC(=O)c2ccccc2N2CCCC2)c2ccccc2)s1 ZINC000065381616 570763185 /nfs/dbraw/zinc/76/31/85/570763185.db2.gz YJSOQAHVECNPRE-QGZVFWFLSA-N 0 0 379.489 3.240 50 0 GGAARN COc1ccccc1[C@H]1C(C(N)=O)=C(C)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000013131226 570763344 /nfs/dbraw/zinc/76/33/44/570763344.db2.gz FCTIPGFWZUCCSD-KRWDZBQOSA-N 0 0 395.850 3.381 50 0 GGAARN CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3cccnc3)no2)n(C)n1 ZINC000065382635 570763430 /nfs/dbraw/zinc/76/34/30/570763430.db2.gz KTCLTBPSZZFGCN-INIZCTEOSA-N 0 0 380.452 3.041 50 0 GGAARN CCN1CCN(C(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)CC1 ZINC000013625503 570763895 /nfs/dbraw/zinc/76/38/95/570763895.db2.gz QHOZAQWMVPHWHF-UHFFFAOYSA-N 0 0 382.460 3.171 50 0 GGAARN CNc1cc(C(=O)N(Cc2cccnc2)Cc2ccc3c(c2)OCO3)ccn1 ZINC000065385074 570763972 /nfs/dbraw/zinc/76/39/72/570763972.db2.gz GVLRVXDRWMZCJS-UHFFFAOYSA-N 0 0 376.416 3.090 50 0 GGAARN O=C([O-])[C@H]1CC(=O)N(CC2(c3ccccc3)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000065395114 570765110 /nfs/dbraw/zinc/76/51/10/570765110.db2.gz KIQJSAYPIVDCER-FQEVSTJZSA-N 0 0 392.499 3.154 50 0 GGAARN O=C(Nc1ccccc1OC(F)(F)F)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524730641 570765190 /nfs/dbraw/zinc/76/51/90/570765190.db2.gz QNWHSUYDYBKVSU-OLZOCXBDSA-N 0 0 393.365 3.398 50 0 biogenic GGAARN CC(C)n1cc2c(n1)n(CCC(=O)Nc1ccncc1)c(=O)cc2C(F)F ZINC000036621378 570765205 /nfs/dbraw/zinc/76/52/05/570765205.db2.gz PWGJSXQKIYJARU-UHFFFAOYSA-N 0 0 375.379 3.140 50 0 GGAARN CCSc1nc2n(n1)[C@H](c1cnn(C)c1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000036621357 570765279 /nfs/dbraw/zinc/76/52/79/570765279.db2.gz DILBMQZDYOOOHQ-MRXNPFEDSA-N 0 0 395.492 3.051 50 0 GGAARN COc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)ccc1O ZINC000013639050 570765539 /nfs/dbraw/zinc/76/55/39/570765539.db2.gz IBPRMLAJDUKZCX-IBGZPJMESA-N 0 0 397.500 3.449 50 0 GGAARN COC(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1cc(OC)c(OC)cc1OC ZINC000065395777 570765674 /nfs/dbraw/zinc/76/56/74/570765674.db2.gz ZGURETQJUSUHAL-CYBMUJFWSA-N 0 0 386.404 3.365 50 0 GGAARN Cc1cc(NC(=O)c2cc3nccc(-c4c(C)nn(C)c4C)n3n2)nn1C(C)C ZINC000013644683 570765827 /nfs/dbraw/zinc/76/58/27/570765827.db2.gz MGRQYOLVVSKZPA-UHFFFAOYSA-N 0 0 392.467 3.085 50 0 GGAARN Cc1ccccc1-c1ncc([C@@H]2CC(=O)NCc3nc(N(C)C)sc32)cn1 ZINC000065405191 570766393 /nfs/dbraw/zinc/76/63/93/570766393.db2.gz HKAQJBUSVJWZCX-HNNXBMFYSA-N 0 0 379.489 3.126 50 0 GGAARN CS(=O)(=O)c1ccc([C@H]2CC(=O)Nc3c2cnn3CC2CCCCC2)cc1 ZINC000065404084 570766684 /nfs/dbraw/zinc/76/66/84/570766684.db2.gz XUJLHSLJACZPHR-QGZVFWFLSA-N 0 0 387.505 3.341 50 0 GGAARN CC(C)c1c(-c2ccccc2)ncn1C[C@H]1CCN(c2cnn(C)c(=O)c2)C1 ZINC000065406614 570766865 /nfs/dbraw/zinc/76/68/65/570766865.db2.gz OBPZHIPCDYSDLP-KRWDZBQOSA-N 0 0 377.492 3.294 50 0 GGAARN Cc1ccc(NC(=O)c2ccc(CN(C)Cc3cnc4ccccn34)cc2)nn1 ZINC000065408830 570767144 /nfs/dbraw/zinc/76/71/44/570767144.db2.gz OCSCFDXZDIHKKI-UHFFFAOYSA-N 0 0 386.459 3.317 50 0 GGAARN O=C(c1cccc(Cn2cccn2)c1)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 ZINC000065408318 570767148 /nfs/dbraw/zinc/76/71/48/570767148.db2.gz WNQOOHLWDNEDCK-LEWJYISDSA-N 0 0 379.435 3.061 50 0 GGAARN CNC(=O)c1cc(NC(=O)CC2(n3cccc3)CCOCC2)ccc1Cl ZINC000524732326 570767251 /nfs/dbraw/zinc/76/72/51/570767251.db2.gz LIJZVNQWYCGYLU-UHFFFAOYSA-N 0 0 375.856 3.036 50 0 GGAARN CCCSc1ncc([C@@H]2CC(=O)Nc3c2cnn3Cc2cccnc2)cn1 ZINC000065410028 570767428 /nfs/dbraw/zinc/76/74/28/570767428.db2.gz CAIFPKCNCMDBFD-HNNXBMFYSA-N 0 0 380.477 3.093 50 0 GGAARN Cc1cccc(-n2nc(CCc3ccccc3)nc2C(=O)Nc2nncs2)c1 ZINC000065418609 570767527 /nfs/dbraw/zinc/76/75/27/570767527.db2.gz DKFHHZVEZOXUPM-UHFFFAOYSA-N 0 0 390.472 3.465 50 0 GGAARN CCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)CC1(CCN(C(C)=O)CC1)O3 ZINC000013656251 570767737 /nfs/dbraw/zinc/76/77/37/570767737.db2.gz FUYYYRAWYMDCEE-UHFFFAOYSA-N 0 0 383.444 3.400 50 0 GGAARN O=C(c1cn2ccccc2n1)N1CCC(n2cc(C3CCCCC3)nn2)CC1 ZINC000065425247 570767781 /nfs/dbraw/zinc/76/77/81/570767781.db2.gz GGFXBLJWXFTPQC-UHFFFAOYSA-N 0 0 378.480 3.451 50 0 GGAARN Cc1nc(C(C)C)sc1C(=O)N1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000065425631 570768071 /nfs/dbraw/zinc/76/80/71/570768071.db2.gz FDYZJANWGOFOFC-LSDHHAIUSA-N 0 0 388.489 3.294 50 0 GGAARN COc1ccc(NC(=O)C[C@@H](c2ccsc2)n2cccc2)cc1-c1nn[nH]n1 ZINC000524733382 570768487 /nfs/dbraw/zinc/76/84/87/570768487.db2.gz MUZGOLIKVJYSHW-INIZCTEOSA-N 0 0 394.460 3.357 50 0 GGAARN COc1ccc(NC(=O)C[C@H](c2ccsc2)n2cccc2)cc1-c1nn[nH]n1 ZINC000524733383 570768506 /nfs/dbraw/zinc/76/85/06/570768506.db2.gz MUZGOLIKVJYSHW-MRXNPFEDSA-N 0 0 394.460 3.357 50 0 GGAARN CC[C@H](CO)N(Cc1ccccn1)C(=O)c1cc(-n2cccn2)ccc1Cl ZINC000065434132 570768504 /nfs/dbraw/zinc/76/85/04/570768504.db2.gz NWSIVFUZYJTUMK-MRXNPFEDSA-N 0 0 384.867 3.334 50 0 GGAARN COc1ccccc1-c1cc(CNC(=O)CC(=O)Nc2ccc(C)cc2)on1 ZINC000065454305 570768933 /nfs/dbraw/zinc/76/89/33/570768933.db2.gz YHWIXWBUMYQPOV-UHFFFAOYSA-N 0 0 379.416 3.304 50 0 GGAARN O=C(c1cccc(-n2cnnc2)n1)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 ZINC000065455346 570769287 /nfs/dbraw/zinc/76/92/87/570769287.db2.gz PTPFHDKNJGOTPS-JOCHJYFZSA-N 0 0 387.443 3.133 50 0 GGAARN O=C(CC1(n2cccc2)CCOCC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000524732667 570769780 /nfs/dbraw/zinc/76/97/80/570769780.db2.gz VLTRAHFSMISSNJ-UHFFFAOYSA-N 0 0 385.855 3.257 50 0 GGAARN Cc1sc(-n2cnnn2)c(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c1C ZINC000524732529 570769830 /nfs/dbraw/zinc/76/98/30/570769830.db2.gz MTUGXVPHCDCVPB-INIZCTEOSA-N 0 0 395.492 3.344 50 0 GGAARN Cc1ccc(NC2(C(=O)N3CCC[C@@H](c4cc(=O)[nH]cn4)C3)CCCC2)cc1 ZINC000065464454 570770197 /nfs/dbraw/zinc/77/01/97/570770197.db2.gz FFIYVPPAZPTSLL-QGZVFWFLSA-N 0 0 380.492 3.209 50 0 GGAARN CCCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000065489055 570770433 /nfs/dbraw/zinc/77/04/33/570770433.db2.gz YEPXKTUJFFMKSA-SFHVURJKSA-N 0 0 383.467 3.398 50 0 GGAARN O=C(c1cnc(-c2cccnc2)nc1)N1CCC[C@H](Oc2ccc(F)cc2)C1 ZINC000065489620 570770583 /nfs/dbraw/zinc/77/05/83/570770583.db2.gz AEQOORRNRKZLHU-IBGZPJMESA-N 0 0 378.407 3.361 50 0 GGAARN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCCCc1ccccc1 ZINC000013671074 570770835 /nfs/dbraw/zinc/77/08/35/570770835.db2.gz RMZBMPFFQNCQHQ-UHFFFAOYSA-N 0 0 386.517 3.142 50 0 GGAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCc1ccc(Cl)cc1 ZINC000524734422 570771125 /nfs/dbraw/zinc/77/11/25/570771125.db2.gz DIMKBGFQCIDHJY-MDKPJZGXSA-N 0 0 384.863 3.109 50 0 GGAARN Cc1cc(C)n(CCc2c(-c3ccccc3)ncn2CCn2cc(C)nn2)n1 ZINC000065499015 570771149 /nfs/dbraw/zinc/77/11/49/570771149.db2.gz UYLOXGDCTGPMNU-UHFFFAOYSA-N 0 0 375.480 3.206 50 0 GGAARN O=C(c1cccc2c1C(=O)c1cc(Cl)ccc1-2)N1CCC2(CNC(=O)C2)CC1 ZINC000065527207 570771705 /nfs/dbraw/zinc/77/17/05/570771705.db2.gz UMYNYTKKMMIUNP-UHFFFAOYSA-N 0 0 394.858 3.294 50 0 GGAARN COc1cc2c(cc1OC)[C@H](NC(=O)Cc1csc(-n3cccc3)n1)CC2 ZINC000524734668 570771923 /nfs/dbraw/zinc/77/19/23/570771923.db2.gz AIYZDESGEMMPJE-MRXNPFEDSA-N 0 0 383.473 3.297 50 0 GGAARN CN(Cc1ccc(C(=O)Nc2ccc3c(c2)ncn3C)cc1)Cc1cnccn1 ZINC000065530069 570772192 /nfs/dbraw/zinc/77/21/92/570772192.db2.gz JDFBMSAOIDYJNW-UHFFFAOYSA-N 0 0 386.459 3.248 50 0 GGAARN COc1cc2c(cc1OC)[C@@H](NC(=O)CCc1nc3ccccc3c(=O)[nH]1)CC2 ZINC000524733510 570772360 /nfs/dbraw/zinc/77/23/60/570772360.db2.gz POTHCPQWOKZCDT-KRWDZBQOSA-N 0 0 393.443 3.089 50 0 GGAARN COc1ccccc1NC(=O)CSc1n[nH]c([C@H]2COc3ccccc3O2)n1 ZINC000524735029 570772500 /nfs/dbraw/zinc/77/25/00/570772500.db2.gz OYOWKXHSAYDCHS-MRXNPFEDSA-N 0 0 398.444 3.057 50 0 GGAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2C)cc1 ZINC000013678664 570772734 /nfs/dbraw/zinc/77/27/34/570772734.db2.gz AIHGFUFSMIRREW-INIZCTEOSA-N 0 0 388.489 3.013 50 0 GGAARN O=C1C[C@H](c2ccc(-n3cccn3)cc2)c2sc(N3CCCC3)nc2CN1 ZINC000065532051 570772850 /nfs/dbraw/zinc/77/28/50/570772850.db2.gz KYXYEPVIXRUCFC-MRXNPFEDSA-N 0 0 379.489 3.081 50 0 GGAARN CC[C@H](C(=O)NC)n1cnc(-c2ccccc2)c1-c1ccc(-n2cncn2)cc1 ZINC000065534710 570772897 /nfs/dbraw/zinc/77/28/97/570772897.db2.gz QUWODORWNPKMIK-LJQANCHMSA-N 0 0 386.459 3.495 50 0 GGAARN O=C(CC1(n2cccc2)CCOCC1)NCCn1cnc2cc(Cl)ccc21 ZINC000524733752 570773007 /nfs/dbraw/zinc/77/30/07/570773007.db2.gz NEQFMLAVBVMAOP-UHFFFAOYSA-N 0 0 386.883 3.203 50 0 GGAARN O=C1C[C@@H](c2ccc(-n3cccn3)cc2)c2sc(N3CCCC3)nc2CN1 ZINC000065532049 570772996 /nfs/dbraw/zinc/77/29/96/570772996.db2.gz KYXYEPVIXRUCFC-INIZCTEOSA-N 0 0 379.489 3.081 50 0 GGAARN Cc1cc2c(c(=O)n1C)[C@H](c1cccc(OCc3cccnc3)c1)CC(=O)O2 ZINC000524734077 570773381 /nfs/dbraw/zinc/77/33/81/570773381.db2.gz UEXYSDFOVPDAJL-SFHVURJKSA-N 0 0 376.412 3.109 50 0 GGAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)N1CCSCC1 ZINC000013681743 570773499 /nfs/dbraw/zinc/77/34/99/570773499.db2.gz XRYDHAKIIGNHFE-UHFFFAOYSA-N 0 0 381.453 3.414 50 0 biogenic GGAARN O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)Nc1ccccc1F ZINC000013682946 570773512 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CCn1c(COc2ccccc2)nnc1SCc1nc2ccccc2c(=O)[nH]1 ZINC000009327524 570775396 /nfs/dbraw/zinc/77/53/96/570775396.db2.gz HPYRWYRIEKZYAJ-UHFFFAOYSA-N 0 0 393.472 3.406 50 0 GGAARN Cn1c(CNC(=O)[C@H]2CCCO2)nc2cc(NC(=O)Nc3ccccc3)ccc21 ZINC000013690354 570775495 /nfs/dbraw/zinc/77/54/95/570775495.db2.gz GLDWMQJOAMSBBR-GOSISDBHSA-N 0 0 393.447 3.013 50 0 GGAARN CCCN1CCn2c(nc3cc(NC(=O)COc4ccccc4OC)ccc32)C1 ZINC000013690998 570775517 /nfs/dbraw/zinc/77/55/17/570775517.db2.gz AYRFDNLPRFGHGY-UHFFFAOYSA-N 0 0 394.475 3.288 50 0 GGAARN COc1cccc(C(=O)N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c1 ZINC000013690620 570775544 /nfs/dbraw/zinc/77/55/44/570775544.db2.gz HWJIJQRWLSCOQV-UHFFFAOYSA-N 0 0 391.471 3.094 50 0 GGAARN CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)c1ccc(C)cc1 ZINC000009582645 570775891 /nfs/dbraw/zinc/77/58/91/570775891.db2.gz QKFAALBRDRJOQT-UHFFFAOYSA-N 0 0 384.461 3.104 50 0 GGAARN CN(C)c1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000013691375 570775860 /nfs/dbraw/zinc/77/58/60/570775860.db2.gz 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CCNC(=O)[C@H](C)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067434659 570779822 /nfs/dbraw/zinc/77/98/22/570779822.db2.gz XPSYUDXEZUUPRH-ZDUSSCGKSA-N 0 0 397.500 3.388 50 0 GGAARN COc1cccc(-c2c[nH]nc2C2CCN(c3ncnc4nc[nH]c43)CC2)c1 ZINC000067446827 570779870 /nfs/dbraw/zinc/77/98/70/570779870.db2.gz NMOPHKTUQPEPBW-UHFFFAOYSA-N 0 0 375.436 3.136 50 0 GGAARN Cc1ccc(C2(O)CCN(Cc3cccnc3OCC(F)(F)F)CC2)nc1 ZINC000067489765 570780521 /nfs/dbraw/zinc/78/05/21/570780521.db2.gz SXTKPRMDERGBPY-UHFFFAOYSA-N 0 0 381.398 3.210 50 0 GGAARN C[C@@H]1CC[C@H](C)N1C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 ZINC000067490491 570780649 /nfs/dbraw/zinc/78/06/49/570780649.db2.gz PZVWMBZDEJPFKU-HDICACEKSA-N 0 0 382.508 3.005 50 0 GGAARN O=C(c1ccc(NCc2ccco2)nc1)N1CCC(Oc2cccnc2)CC1 ZINC000067514553 570780916 /nfs/dbraw/zinc/78/09/16/570780916.db2.gz UIWZZOMZGUYUFY-UHFFFAOYSA-N 0 0 378.432 3.365 50 0 GGAARN CC(C)CN1CCn2c3ccc(NS(=O)(=O)c4ccccc4)cc3nc2C1 ZINC000013724210 570781315 /nfs/dbraw/zinc/78/13/15/570781315.db2.gz 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ZINC000013728521 570782276 /nfs/dbraw/zinc/78/22/76/570782276.db2.gz PLWCUJAMBWTVOF-UHFFFAOYSA-N 0 0 385.855 3.146 50 0 GGAARN CC(=O)c1ccc(O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000007063639 570782379 /nfs/dbraw/zinc/78/23/79/570782379.db2.gz PAKWYPRSQAYWAF-MRXNPFEDSA-N 0 0 393.443 3.093 50 0 GGAARN CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(NCc2ccncc2)nc1 ZINC000067588512 570782488 /nfs/dbraw/zinc/78/24/88/570782488.db2.gz QGHVWTLHMJTLIK-SFHVURJKSA-N 0 0 390.443 3.001 50 0 GGAARN COc1cccc(-c2cc(=O)[nH]c(Nc3nc(C)c4cc(OC)ccc4n3)n2)c1 ZINC000013729864 570782670 /nfs/dbraw/zinc/78/26/70/570782670.db2.gz PUIGTBPFICFSFU-UHFFFAOYSA-N 0 0 389.415 3.449 50 0 GGAARN Cc1nccn1-c1cc(NCCNC(=O)Nc2cccc(C)c2C)nc(C)n1 ZINC000067602146 570782700 /nfs/dbraw/zinc/78/27/00/570782700.db2.gz LYSGHTZFVWGSPZ-UHFFFAOYSA-N 0 0 379.468 3.130 50 0 GGAARN COc1ccc(-c2nc(CC(=O)N[C@H](CO)c3ccccc3)cs2)cc1OC ZINC000013729217 570782732 /nfs/dbraw/zinc/78/27/32/570782732.db2.gz JFUBBVSPJYJPSF-QGZVFWFLSA-N 0 0 398.484 3.220 50 0 GGAARN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000013729211 570782740 /nfs/dbraw/zinc/78/27/40/570782740.db2.gz UJRQZDWUUDSHMR-SFHVURJKSA-N 0 0 379.435 3.476 50 0 GGAARN CCOc1ncccc1C(=O)NCc1cc(-c2ccc3c(c2)C[C@@H](C)O3)on1 ZINC000036662339 570783121 /nfs/dbraw/zinc/78/31/21/570783121.db2.gz WPIMVIJHCZQVGJ-CYBMUJFWSA-N 0 0 379.416 3.389 50 0 GGAARN CC(=O)Nc1nc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2s1 ZINC000013731899 570783178 /nfs/dbraw/zinc/78/31/78/570783178.db2.gz WXNOXBCWZAYUIQ-UHFFFAOYSA-N 0 0 398.463 3.356 50 0 GGAARN Cc1c(C(=O)[O-])sc2ncnc(N[C@H]3CCC[N@H+](Cc4cccnc4)C3)c12 ZINC000067604489 570783389 /nfs/dbraw/zinc/78/33/89/570783389.db2.gz GHABNCVUYOZIKG-AWEZNQCLSA-N 0 0 383.477 3.169 50 0 GGAARN Cc1c(C(=O)[O-])sc2ncnc(N[C@@H]3CCC[N@H+](Cc4cccnc4)C3)c12 ZINC000067604488 570783407 /nfs/dbraw/zinc/78/34/07/570783407.db2.gz GHABNCVUYOZIKG-CQSZACIVSA-N 0 0 383.477 3.169 50 0 GGAARN Cc1nc(N)nc(C)c1CC(=O)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067604556 570783461 /nfs/dbraw/zinc/78/34/61/570783461.db2.gz SMQLORWPDOXVFP-UHFFFAOYSA-N 0 0 390.491 3.014 50 0 GGAARN COC(=O)[C@@H](Cc1ccc(F)cc1)c1cc(=O)oc2c1ccc(OC)c2OC ZINC000013733202 570783640 /nfs/dbraw/zinc/78/36/40/570783640.db2.gz HRESOJZEBFGRFP-INIZCTEOSA-N 0 0 386.375 3.449 50 0 GGAARN COC(=O)[C@H](Cc1ccc(F)cc1)c1cc(=O)oc2c1ccc(OC)c2OC ZINC000013733204 570783679 /nfs/dbraw/zinc/78/36/79/570783679.db2.gz HRESOJZEBFGRFP-MRXNPFEDSA-N 0 0 386.375 3.449 50 0 GGAARN Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(C(=O)c2ccncc2F)CCO3)n1 ZINC000067606029 570783711 /nfs/dbraw/zinc/78/37/11/570783711.db2.gz PZKZPQQZNHPJHY-UHFFFAOYSA-N 0 0 394.406 3.035 50 0 GGAARN Cc1nc(-n2cccn2)cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000067613016 570783936 /nfs/dbraw/zinc/78/39/36/570783936.db2.gz UJABVHQFKSSCDL-UHFFFAOYSA-N 0 0 398.470 3.086 50 0 GGAARN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1F ZINC000067630091 570784250 /nfs/dbraw/zinc/78/42/50/570784250.db2.gz PUPZUNJIQFVOPS-UHFFFAOYSA-N 0 0 392.452 3.261 50 0 GGAARN 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COc1ccc(N2CCN(Cc3ccc(-n4ccnc4)cc3)[C@@H](C)C2=O)cc1 ZINC000072121608 570867250 /nfs/dbraw/zinc/86/72/50/570867250.db2.gz XQZMLYBBJOIXNK-KRWDZBQOSA-N 0 0 376.460 3.118 50 0 GGAARN CN(Cc1ccc2ccccc2n1)C(=O)c1cn(Cc2c(F)cccc2F)nn1 ZINC000072125702 570867598 /nfs/dbraw/zinc/86/75/98/570867598.db2.gz YQUGCPDRODYFNJ-UHFFFAOYSA-N 0 0 393.397 3.425 50 0 GGAARN COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)CCCc3cn[nH]c3)C2)cc1C ZINC000072128129 570867626 /nfs/dbraw/zinc/86/76/26/570867626.db2.gz LBYDQUHWNVOUFS-GOSISDBHSA-N 0 0 383.492 3.479 50 0 GGAARN CC(=O)c1ccc(NC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)cc1 ZINC000044169156 570867810 /nfs/dbraw/zinc/86/78/10/570867810.db2.gz GVQPDDHZJFDRBQ-UHFFFAOYSA-N 0 0 382.464 3.241 50 0 GGAARN Cc1cc(OCC(=O)NCc2ccc(Cl)cc2)nc(N2CCC[C@@H](C)C2)n1 ZINC000044168869 570867940 /nfs/dbraw/zinc/86/79/40/570867940.db2.gz ZTZUNRILNFYZHP-CQSZACIVSA-N 0 0 388.899 3.370 50 0 GGAARN O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccccc1F ZINC000003431914 570867950 /nfs/dbraw/zinc/86/79/50/570867950.db2.gz WKLBGEONXSXSRM-UHFFFAOYSA-N 0 0 395.419 3.391 50 0 GGAARN COCc1noc(-c2ccc(-c3ccc([C@H](C)N4CCOCC4)cc3)nc2)n1 ZINC000072129170 570868150 /nfs/dbraw/zinc/86/81/50/570868150.db2.gz MTIUDMYSSBSUMX-HNNXBMFYSA-N 0 0 380.448 3.338 50 0 GGAARN COCc1noc(-c2ccc(-c3ccc([C@@H](C)N4CCOCC4)cc3)nc2)n1 ZINC000072129171 570868222 /nfs/dbraw/zinc/86/82/22/570868222.db2.gz MTIUDMYSSBSUMX-OAHLLOKOSA-N 0 0 380.448 3.338 50 0 GGAARN COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3)n2C)cc1 ZINC000013956790 570868405 /nfs/dbraw/zinc/86/84/05/570868405.db2.gz JKAJCHAXEBAMPU-UHFFFAOYSA-N 0 0 386.452 3.284 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)COc1cc(C)nc(N2CCCC2)n1 ZINC000044168318 570868458 /nfs/dbraw/zinc/86/84/58/570868458.db2.gz CLDRVCFINFESKZ-UHFFFAOYSA-N 0 0 376.844 3.065 50 0 GGAARN COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3O)C2)cc1OC ZINC000072133578 570868674 /nfs/dbraw/zinc/86/86/74/570868674.db2.gz CDTBPRPYXWQWBP-MRXNPFEDSA-N 0 0 383.444 3.453 50 0 GGAARN O=C(c1c[nH]nc1-c1cccc(F)c1)N1CCC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000072135375 570869248 /nfs/dbraw/zinc/86/92/48/570869248.db2.gz IFIJYCZUTCEDIP-QFIPXVFZSA-N 0 0 390.418 3.342 50 0 GGAARN CN(C(=O)c1cn(Cc2c(F)cccc2F)nn1)[C@H](c1ccccn1)C1CC1 ZINC000072138917 570869348 /nfs/dbraw/zinc/86/93/48/570869348.db2.gz QSTNLYJUBUXOMH-IBGZPJMESA-N 0 0 383.402 3.223 50 0 GGAARN Cc1oncc1S(=O)(=O)N[C@@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 ZINC000072137221 570869485 /nfs/dbraw/zinc/86/94/85/570869485.db2.gz MNMFPWSLWVFRDX-LJQANCHMSA-N 0 0 391.537 3.124 50 0 GGAARN Cc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc1O ZINC000072140262 570869807 /nfs/dbraw/zinc/86/98/07/570869807.db2.gz YRTAMQSESYVQBU-LJQANCHMSA-N 0 0 397.494 3.267 50 0 GGAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@]2(CNC(=O)O2)CC1 ZINC000072142973 570869962 /nfs/dbraw/zinc/86/99/62/570869962.db2.gz GHJIYGSESKDMMN-LJQANCHMSA-N 0 0 389.839 3.408 50 0 GGAARN Cn1c(CN2CCN(C(=O)CSc3ccc(F)cc3)CC2)nc2ccccc21 ZINC000044213622 570871180 /nfs/dbraw/zinc/87/11/80/570871180.db2.gz RLTDZOVEUXUOOV-UHFFFAOYSA-N 0 0 398.507 3.149 50 0 GGAARN C[C@H](C(=O)NCCc1c[nH]c2ccccc12)n1nc(-c2ccccc2)ccc1=O ZINC000044213802 570871201 /nfs/dbraw/zinc/87/12/01/570871201.db2.gz KICHHZWLULKNOR-MRXNPFEDSA-N 0 0 386.455 3.312 50 0 GGAARN COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC000044225484 570872008 /nfs/dbraw/zinc/87/20/08/570872008.db2.gz SBWHMAYBVFGUHO-KRWDZBQOSA-N 0 0 389.883 3.015 50 0 GGAARN Cc1nccn1CC[C@@H](NC(=O)c1cn(-c2ccccc2)nn1)c1ccccc1 ZINC000072147101 570872185 /nfs/dbraw/zinc/87/21/85/570872185.db2.gz MQKHQQPZXTYLGN-HXUWFJFHSA-N 0 0 386.459 3.334 50 0 GGAARN COc1ccc(OC)c(NC(=O)COC(=O)c2cc(Cl)ccc2OC)c1 ZINC000003497866 570872909 /nfs/dbraw/zinc/87/29/09/570872909.db2.gz WQFNYDXDCITTOL-UHFFFAOYSA-N 0 0 379.796 3.161 50 0 GGAARN COc1cc(NC(=O)COC(=O)c2cc(Cl)ccc2OC)cc(OC)c1 ZINC000003498027 570872940 /nfs/dbraw/zinc/87/29/40/570872940.db2.gz SQBQUCDJAGOEMA-UHFFFAOYSA-N 0 0 379.796 3.161 50 0 GGAARN COc1ccc(Cl)cc1C(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000072151188 570873088 /nfs/dbraw/zinc/87/30/88/570873088.db2.gz LSSVCWHPQXWKQO-OAHLLOKOSA-N 0 0 376.815 3.019 50 0 GGAARN CNc1ncc(C(=O)N2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cn1 ZINC000072149796 570873303 /nfs/dbraw/zinc/87/33/03/570873303.db2.gz HKCZHHBOUSBHDD-INIZCTEOSA-N 0 0 382.464 3.041 50 0 GGAARN CC[C@H]1CN(C(=O)CCCn2ccnc2C)CCC(=O)N1Cc1ccccc1 ZINC000072151200 570873313 /nfs/dbraw/zinc/87/33/13/570873313.db2.gz QBRXZFBBZSZHRI-FQEVSTJZSA-N 0 0 382.508 3.011 50 0 GGAARN COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003501719 570873366 /nfs/dbraw/zinc/87/33/66/570873366.db2.gz USKKDLYZWJUDBK-LLVKDONJSA-N 0 0 389.868 3.444 50 0 GGAARN CNC(=O)c1noc(CN2CCC[C@H](CCc3ccccc3C(F)(F)F)C2)n1 ZINC000072153208 570873649 /nfs/dbraw/zinc/87/36/49/570873649.db2.gz GHQSIOXSBCHAQO-CYBMUJFWSA-N 0 0 396.413 3.293 50 0 GGAARN C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003506150 570873792 /nfs/dbraw/zinc/87/37/92/570873792.db2.gz QVRXIAZOGSRGBY-LBPRGKRZSA-N 0 0 382.445 3.330 50 0 GGAARN Cc1nccn1-c1ccc(Cn2ccnc2-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000072156853 570874380 /nfs/dbraw/zinc/87/43/80/570874380.db2.gz PRVSLDMSQAZIOB-UHFFFAOYSA-N 0 0 392.484 3.496 50 0 GGAARN CN(C)c1nc(-c2ccccc2)nc2c1CCN(C(=O)Cc1ccccc1O)C2 ZINC000072154946 570874444 /nfs/dbraw/zinc/87/44/44/570874444.db2.gz GOTHYJNIRSFTTP-UHFFFAOYSA-N 0 0 388.471 3.043 50 0 GGAARN COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cccc(O)c3C)C2)cc1OC ZINC000072161330 570875123 /nfs/dbraw/zinc/87/51/23/570875123.db2.gz KERNTEOITIDYOL-INIZCTEOSA-N 0 0 383.444 3.453 50 0 GGAARN NS(=O)(=O)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)c(F)c1 ZINC000072162219 570875561 /nfs/dbraw/zinc/87/55/61/570875561.db2.gz PSDNDMUBPBJDQX-UHFFFAOYSA-N 0 0 397.435 3.024 50 0 GGAARN CN(C)[C@H](CNC(=O)c1cn(C2CCCCC2)nn1)c1ccccc1Cl ZINC000072162755 570875912 /nfs/dbraw/zinc/87/59/12/570875912.db2.gz ZDUJECGHUUZMFJ-GOSISDBHSA-N 0 0 375.904 3.469 50 0 GGAARN CCCCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000072166016 570876203 /nfs/dbraw/zinc/87/62/03/570876203.db2.gz FLBWYZYOOYJYLD-JOCHJYFZSA-N 0 0 393.531 3.303 50 0 GGAARN COc1c(C)cc(C(=O)[C@@H]2CCCN(C(=O)c3n[nH]cc3Cl)C2)cc1C ZINC000072167263 570877039 /nfs/dbraw/zinc/87/70/39/570877039.db2.gz DBXURVSYBPWFRS-CYBMUJFWSA-N 0 0 375.856 3.424 50 0 GGAARN CC(C)c1ccc(N[C@@H]2CCCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)cc1 ZINC000072167284 570877051 /nfs/dbraw/zinc/87/70/51/570877051.db2.gz AUFBZNQYLJYOCT-GOSISDBHSA-N 0 0 380.492 3.487 50 0 GGAARN CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3cnc(C4CC4)[nH]c3=O)C2)cc1 ZINC000072167285 570877074 /nfs/dbraw/zinc/87/70/74/570877074.db2.gz AUFBZNQYLJYOCT-SFHVURJKSA-N 0 0 380.492 3.487 50 0 GGAARN COc1cccc(C(=O)N2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)c1 ZINC000072168299 570877108 /nfs/dbraw/zinc/87/71/08/570877108.db2.gz BJYULSMDRPDTPF-UHFFFAOYSA-N 0 0 394.519 3.491 50 0 GGAARN O=C(Cc1cccs1)Oc1ccccc1NC1=NS(=O)(=O)c2ccccc21 ZINC000003583297 570877186 /nfs/dbraw/zinc/87/71/86/570877186.db2.gz YQUGKZHJAFTIAP-UHFFFAOYSA-N 0 0 398.465 3.457 50 0 GGAARN CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000072170555 570877522 /nfs/dbraw/zinc/87/75/22/570877522.db2.gz PMEOICDYTBPPJY-GOSISDBHSA-N 0 0 394.471 3.426 50 0 GGAARN CCOC(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000007545137 570877695 /nfs/dbraw/zinc/87/76/95/570877695.db2.gz PDTZKVFQJAOFFI-AWEZNQCLSA-N 0 0 381.407 3.259 50 0 GGAARN CCOC(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000007543844 570877710 /nfs/dbraw/zinc/87/77/10/570877710.db2.gz GJWOEMVKTCWQBM-CQSZACIVSA-N 0 0 381.407 3.259 50 0 GGAARN CC(=O)NCC(=O)N(C)[C@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccc(C)cc1 ZINC000003615466 570877737 /nfs/dbraw/zinc/87/77/37/570877737.db2.gz JSCHHDBLCPASSF-QFIPXVFZSA-N 0 0 395.503 3.393 50 0 GGAARN Cc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1 ZINC000103156772 570878590 /nfs/dbraw/zinc/87/85/90/570878590.db2.gz HDJRWJZWECDZGG-RVKKMQEKSA-N 0 0 394.418 3.264 50 0 GGAARN COC(=O)[C@](Nc1ccccc1)(c1cc(OC)c(O)c(OC)c1)C(F)(F)F ZINC000003623130 570878745 /nfs/dbraw/zinc/87/87/45/570878745.db2.gz LHCUPICJTYEYBX-QGZVFWFLSA-N 0 0 385.338 3.452 50 0 GGAARN COc1ccc(-c2cc(C(=O)Nc3nnc([C@H]4CCCO4)s3)n(C)n2)cc1 ZINC000170622227 570879716 /nfs/dbraw/zinc/87/97/16/570879716.db2.gz XYKDTVVZLFKCKM-OAHLLOKOSA-N 0 0 385.449 3.051 50 0 GGAARN O=C(Nc1nccs1)C1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 ZINC000044454663 570880918 /nfs/dbraw/zinc/88/09/18/570880918.db2.gz KBRYHRZZNDEWSL-UHFFFAOYSA-N 0 0 387.490 3.086 50 0 GGAARN O=c1/c(=C/c2ccc(-c3ccc(F)cc3)o2)sc2nc(-c3ccco3)nn12 ZINC000003649355 570880969 /nfs/dbraw/zinc/88/09/69/570880969.db2.gz OTLKXIXVYBMWRJ-YBEGLDIGSA-N 0 0 379.372 3.358 50 0 GGAARN CCOc1ccccc1/C=c1/sc2nnc(-c3ccc(Cl)cc3)n2c1=O ZINC000003651592 570881433 /nfs/dbraw/zinc/88/14/33/570881433.db2.gz XEMRUBRZOBDGGT-LFIBNONCSA-N 0 0 383.860 3.418 50 0 GGAARN Cc1cc(C)c(-n2nnnc2SCC(=O)NCCc2ccccc2)c(C)c1 ZINC000004558371 570882074 /nfs/dbraw/zinc/88/20/74/570882074.db2.gz LFEJYSUZYDUGJJ-UHFFFAOYSA-N 0 0 381.505 3.039 50 0 GGAARN CCOC(=O)c1c2c(sc1NC(=O)COC(=O)/C=C/c1ccco1)CCC2 ZINC000003667187 570882237 /nfs/dbraw/zinc/88/22/37/570882237.db2.gz WMGKNSIVJXVQND-CMDGGOBGSA-N 0 0 389.429 3.202 50 0 GGAARN CN1CC2(CC1=O)CCN(C(=O)C[C@H](Cc1ccccc1)c1ccco1)CC2 ZINC000072476891 570882435 /nfs/dbraw/zinc/88/24/35/570882435.db2.gz NNGSAUDUQPNTMJ-IBGZPJMESA-N 0 0 380.488 3.467 50 0 GGAARN COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc(Cl)c2)C3)cc1 ZINC000004727969 570883348 /nfs/dbraw/zinc/88/33/48/570883348.db2.gz DGBNEGCCFXRWGX-SFHVURJKSA-N 0 0 383.835 3.346 50 0 GGAARN COc1ccccc1Nc1nc([C@]2(C)C[C@@]3(C[C@@H](C)OC3=O)C(=O)O2)cs1 ZINC000009328420 570885058 /nfs/dbraw/zinc/88/50/58/570885058.db2.gz BPDVNLRXMMCAFG-RIPJAXHCSA-N 0 0 388.445 3.379 50 0 biogenic GGAARN CCc1c(C)sc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)c1C(=O)OC ZINC000009869912 570886327 /nfs/dbraw/zinc/88/63/27/570886327.db2.gz TZUDUXFVQMPHAD-AWEZNQCLSA-N 0 0 387.461 3.167 50 0 GGAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc4[nH]ccc43)n2)c(F)c1 ZINC000071284002 570887559 /nfs/dbraw/zinc/88/75/59/570887559.db2.gz FXZOCTIPTZBDKM-UHFFFAOYSA-N 0 0 392.390 3.178 50 0 GGAARN COCCn1cc(C(=O)Nc2nc3c(s2)CCCC3)c2ccccc2c1=O ZINC000071284386 570887898 /nfs/dbraw/zinc/88/78/98/570887898.db2.gz HLXWXXBPRINIFE-UHFFFAOYSA-N 0 0 383.473 3.236 50 0 GGAARN Cc1cc(C(=O)NCCNC(=O)OC(C)(C)C)c2cnn(C3CCCC3)c2n1 ZINC000071285798 570888360 /nfs/dbraw/zinc/88/83/60/570888360.db2.gz QSQNBWCNTPLXIM-UHFFFAOYSA-N 0 0 387.484 3.109 50 0 GGAARN COCCn1ccc2c1cccc2NC(=O)[C@H](C)N1Cc2ccccc2C1=O ZINC000071285484 570888396 /nfs/dbraw/zinc/88/83/96/570888396.db2.gz JUMBBMBJCBKGOU-HNNXBMFYSA-N 0 0 377.444 3.271 50 0 GGAARN Cc1c(-c2nn3c(Cc4ccccc4OC(F)(F)F)nnc3s2)cnn1C ZINC000071285799 570888427 /nfs/dbraw/zinc/88/84/27/570888427.db2.gz RFTFSIZYBZGJOE-UHFFFAOYSA-N 0 0 394.382 3.384 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1F ZINC000016606305 570889108 /nfs/dbraw/zinc/88/91/08/570889108.db2.gz RPJOHCUSDCPDSA-UHFFFAOYSA-N 0 0 392.452 3.261 50 0 GGAARN Cc1nn2cnnc2c(C)c1CCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000071288280 570889270 /nfs/dbraw/zinc/88/92/70/570889270.db2.gz SOAUCYOPACBCEL-UHFFFAOYSA-N 0 0 385.497 3.212 50 0 GGAARN O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccc(-n2cccc2)cc1 ZINC000042379522 570890339 /nfs/dbraw/zinc/89/03/39/570890339.db2.gz MPFLXNDVRJTRTM-UHFFFAOYSA-N 0 0 384.439 3.131 50 0 GGAARN O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc2nsnc21 ZINC000013324584 570895109 /nfs/dbraw/zinc/89/51/09/570895109.db2.gz FBSHDKWKIPPLQM-UHFFFAOYSA-N 0 0 387.896 3.105 50 0 GGAARN COC(=O)c1cccc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCN2C3=O)c1 ZINC000097123384 570897473 /nfs/dbraw/zinc/89/74/73/570897473.db2.gz JPYNHRRAKXJPJS-IBGZPJMESA-N 0 0 393.443 3.128 50 0 GGAARN CN1c2cc(C(=O)NCc3ccc(F)cc3F)ccc2C(=O)N2CCCC[C@H]12 ZINC000097122755 570897514 /nfs/dbraw/zinc/89/75/14/570897514.db2.gz RABBTRMSGKDGQE-LJQANCHMSA-N 0 0 385.414 3.297 50 0 GGAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)CNC(C)=O)c1ccc(C)cc1 ZINC000004571492 570898922 /nfs/dbraw/zinc/89/89/22/570898922.db2.gz UKIJAJQUEZFMNA-JOCHJYFZSA-N 0 0 387.524 3.082 50 0 GGAARN COc1ccccc1C(=O)COC(=O)CCC(=O)Nc1ccc2cc[nH]c2c1 ZINC000013577001 570898996 /nfs/dbraw/zinc/89/89/96/570898996.db2.gz ZRZLAKCEHAXTLJ-UHFFFAOYSA-N 0 0 380.400 3.321 50 0 GGAARN CCOc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccn(C)n3)nc21 ZINC000013667766 570899610 /nfs/dbraw/zinc/89/96/10/570899610.db2.gz RPJCIKZTYAIKEM-ZDUSSCGKSA-N 0 0 386.477 3.254 50 0 GGAARN CCN1C(=O)Cc2cc(NC(=O)Nc3cc(OC)c(OC)c(OC)c3)ccc21 ZINC000022506756 570899673 /nfs/dbraw/zinc/89/96/73/570899673.db2.gz CJHDSINDXBMELA-UHFFFAOYSA-N 0 0 385.420 3.265 50 0 GGAARN COc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1OC ZINC000013695942 570900159 /nfs/dbraw/zinc/90/01/59/570900159.db2.gz RDAXHIKWGHZUOU-UHFFFAOYSA-N 0 0 380.444 3.184 50 0 GGAARN Cc1ccsc1CN(C)C(=O)c1cccc(-c2cnn([C@H](C)C(N)=O)c2)c1 ZINC000534575241 570900553 /nfs/dbraw/zinc/90/05/53/570900553.db2.gz NAAMQTJDTIFGCA-CQSZACIVSA-N 0 0 382.489 3.239 50 0 GGAARN Cc1ccsc1CN(C)C(=O)c1cccc(-c2cnn([C@@H](C)C(N)=O)c2)c1 ZINC000534575236 570900591 /nfs/dbraw/zinc/90/05/91/570900591.db2.gz NAAMQTJDTIFGCA-AWEZNQCLSA-N 0 0 382.489 3.239 50 0 GGAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1 ZINC000013696493 570900621 /nfs/dbraw/zinc/90/06/21/570900621.db2.gz XIERBGVCPKRTAK-UHFFFAOYSA-N 0 0 388.489 3.431 50 0 GGAARN COC(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000013746209 570900952 /nfs/dbraw/zinc/90/09/52/570900952.db2.gz NSUKKOVYQUBODL-UHFFFAOYSA-N 0 0 387.867 3.476 50 0 GGAARN CC(C)CN(Cc1ccccn1)C(=O)c1ccc(-c2ccc(=O)n(C)n2)cc1 ZINC000534577285 570901629 /nfs/dbraw/zinc/90/16/29/570901629.db2.gz VRHUBKAIAAWQRT-UHFFFAOYSA-N 0 0 376.460 3.141 50 0 GGAARN COc1ccc(CCC(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000023105742 570904311 /nfs/dbraw/zinc/90/43/11/570904311.db2.gz VDELIVKWDRZEFK-JOCHJYFZSA-N 0 0 382.504 3.126 50 0 GGAARN COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000023105751 570904542 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CCc1ccc(S(=O)(=O)NCC2(c3ccc(OC)cc3)CCOCC2)s1 ZINC000016972322 570920682 /nfs/dbraw/zinc/92/06/82/570920682.db2.gz MXNHRELZWILHNX-UHFFFAOYSA-N 0 0 395.546 3.346 50 0 GGAARN CC(C)Cc1noc(CNC(=O)N2CCC[C@@H](C(=O)c3cccs3)C2)n1 ZINC000534670870 570920855 /nfs/dbraw/zinc/92/08/55/570920855.db2.gz BWGLNFPYACFRAY-CYBMUJFWSA-N 0 0 376.482 3.134 50 0 GGAARN CCCc1nc(C)c(CNC(=O)N(C)C[C@@H]2COc3ccccc3O2)s1 ZINC000534673103 570921258 /nfs/dbraw/zinc/92/12/58/570921258.db2.gz WXQOUEBFBVWAPD-CQSZACIVSA-N 0 0 375.494 3.385 50 0 GGAARN CCCc1nc(C)c(CNC(=O)N(C)C[C@H]2COc3ccccc3O2)s1 ZINC000534673102 570921389 /nfs/dbraw/zinc/92/13/89/570921389.db2.gz WXQOUEBFBVWAPD-AWEZNQCLSA-N 0 0 375.494 3.385 50 0 GGAARN O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NCc1cccnc1 ZINC000016976895 570921744 /nfs/dbraw/zinc/92/17/44/570921744.db2.gz BVERVFDOOVIVTO-UHFFFAOYSA-N 0 0 381.461 3.431 50 0 GGAARN O=C(CCc1csc(NC(=O)NC2CCCCC2)n1)NCc1ccncc1 ZINC000016978606 570921956 /nfs/dbraw/zinc/92/19/56/570921956.db2.gz 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O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 ZINC000004045024 570924433 /nfs/dbraw/zinc/92/44/33/570924433.db2.gz XLKCELMMAGMGOO-YJBOKZPZSA-N 0 0 388.782 3.278 50 0 biogenic GGAARN COc1ccccc1N1C(=S)N=NC1CNC(=O)c1c(F)cccc1Cl ZINC000004059234 570926423 /nfs/dbraw/zinc/92/64/23/570926423.db2.gz JSBJDUSNYPWDNZ-UHFFFAOYSA-N 0 0 392.843 3.287 50 0 GGAARN COc1ccc(/C=C\C(=O)NCCc2cc3ccc(C)cc3[nH]c2=O)cc1OC ZINC000017122345 570928074 /nfs/dbraw/zinc/92/80/74/570928074.db2.gz BCYKBZSPUZDKBE-TWGQIWQCSA-N 0 0 392.455 3.226 50 0 GGAARN CCc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 ZINC000004073212 570929898 /nfs/dbraw/zinc/92/98/98/570929898.db2.gz AKACSWKBUFCDQN-DLYSWHJUSA-N 0 0 399.487 3.276 50 0 biogenic GGAARN CC(C)CCn1c(CN(C)CCc2ccccn2)cnc1S(=O)(=O)C(C)C ZINC000020777020 570931227 /nfs/dbraw/zinc/93/12/27/570931227.db2.gz LIQZSRQIDMUSEO-UHFFFAOYSA-N 0 0 392.569 3.181 50 0 GGAARN O=C(Nc1cccc(F)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000001078328 570931388 /nfs/dbraw/zinc/93/13/88/570931388.db2.gz QKQFBCAGDUUONC-ZDUSSCGKSA-N 0 0 380.416 3.004 50 0 GGAARN CCOC(=O)COc1c(=O)c2ccccc2oc1-c1cccc(OC)c1OC ZINC000001088817 570931395 /nfs/dbraw/zinc/93/13/95/570931395.db2.gz RHUOMQNPQOKXIP-UHFFFAOYSA-N 0 0 384.384 3.419 50 0 GGAARN O=C(NCc1cc(-c2ccc(F)cc2)on1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000012636989 570932123 /nfs/dbraw/zinc/93/21/23/570932123.db2.gz RIORJHAVLDHCMW-OAHLLOKOSA-N 0 0 379.391 3.150 50 0 GGAARN COc1ccc(C(=O)NCc2cc(-c3ccc(OC)c(OC)c3)on2)cc1OC ZINC000012638537 570932461 /nfs/dbraw/zinc/93/24/61/570932461.db2.gz ITHGRXGJGDISAI-UHFFFAOYSA-N 0 0 398.415 3.306 50 0 GGAARN COc1ccc(-c2cc(CNC(=O)Cc3ccc(OC)c(OC)c3)no2)cc1 ZINC000012638118 570932467 /nfs/dbraw/zinc/93/24/67/570932467.db2.gz BYFPMQVVCCDEAN-UHFFFAOYSA-N 0 0 382.416 3.226 50 0 GGAARN COc1cc(C(=O)NCc2cc(-c3ccc(F)cc3)on2)cc(OC)c1OC ZINC000012636700 570932573 /nfs/dbraw/zinc/93/25/73/570932573.db2.gz ZFDCFAICUQTVDF-UHFFFAOYSA-N 0 0 386.379 3.437 50 0 GGAARN COc1ccc(-c2cc(CNC(=O)c3ccc4c(c3)OCO4)no2)cc1OC ZINC000012638555 570932579 /nfs/dbraw/zinc/93/25/79/570932579.db2.gz HSFFYQKTKDNTNK-UHFFFAOYSA-N 0 0 382.372 3.018 50 0 GGAARN COc1ccc(-c2cc(CNC(=O)COc3ccccc3F)no2)cc1OC ZINC000012638852 570932596 /nfs/dbraw/zinc/93/25/96/570932596.db2.gz RNBVDYDTPZSKQG-UHFFFAOYSA-N 0 0 386.379 3.193 50 0 GGAARN COc1ccc(CC(=O)NCc2cc(-c3ccc(OC)c(OC)c3)on2)cc1 ZINC000012638874 570932615 /nfs/dbraw/zinc/93/26/15/570932615.db2.gz AOJUMGGNSYKEAN-UHFFFAOYSA-N 0 0 382.416 3.226 50 0 GGAARN Cc1ccc(-c2cc(CNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)no2)cc1 ZINC000012635996 570932656 /nfs/dbraw/zinc/93/26/56/570932656.db2.gz JCWAGRYQPKIMBX-INIZCTEOSA-N 0 0 393.418 3.458 50 0 GGAARN O=C(NC[C@@H]1CCCO1)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000002873607 570933796 /nfs/dbraw/zinc/93/37/96/570933796.db2.gz ITLALNGYKRWTTA-ZDUSSCGKSA-N 0 0 390.365 3.324 50 0 GGAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)N3CCc4ccccc4C3)c(O)c12 ZINC000015391740 570933839 /nfs/dbraw/zinc/93/38/39/570933839.db2.gz BYUYAANEFGPRQP-UHFFFAOYSA-N 0 0 384.439 3.221 50 0 GGAARN Cc1cc(C)cc(N([C@@H](C)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c1 ZINC000003612476 570934632 /nfs/dbraw/zinc/93/46/32/570934632.db2.gz OBMXLGMHTWWEND-KRWDZBQOSA-N 0 0 386.517 3.043 50 0 GGAARN O=C(COc1ccc(C(=O)NCCc2ccccc2)cc1)NCc1ccccc1 ZINC000003105229 570934706 /nfs/dbraw/zinc/93/47/06/570934706.db2.gz ZRNFVRUUUJJMSY-UHFFFAOYSA-N 0 0 388.467 3.354 50 0 GGAARN Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1c1ccnc(C2CC2)n1 ZINC000096002429 570936379 /nfs/dbraw/zinc/93/63/79/570936379.db2.gz YGQQWNGTLVSDCI-AWEZNQCLSA-N 0 0 381.402 3.308 50 0 GGAARN Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)c3cccnc3)c(=O)[nH]c12 ZINC000017014517 570937047 /nfs/dbraw/zinc/93/70/47/570937047.db2.gz CPQVKTDBXPBZLC-LJQANCHMSA-N 0 0 377.444 3.053 50 0 GGAARN Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCc3ccccc3F)cc1)CC(=O)N2 ZINC000017028863 570937443 /nfs/dbraw/zinc/93/74/43/570937443.db2.gz SEOMDAPRMHWTSV-INIZCTEOSA-N 0 0 379.391 3.271 50 0 GGAARN Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCCc3ccccc3)cc1)CC(=O)N2 ZINC000017027888 570937496 /nfs/dbraw/zinc/93/74/96/570937496.db2.gz VNSYQIREAZGTBU-SFHVURJKSA-N 0 0 375.428 3.174 50 0 GGAARN O=C(Cc1ccc(Cl)cc1)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000006704466 570938674 /nfs/dbraw/zinc/93/86/74/570938674.db2.gz AKVONGDWDLAPRE-UHFFFAOYSA-N 0 0 384.907 3.480 50 0 GGAARN COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C(=O)N1CCCCC1 ZINC000006742907 570938708 /nfs/dbraw/zinc/93/87/08/570938708.db2.gz JWIROXQAPBXHMO-UHFFFAOYSA-N 0 0 388.489 3.146 50 0 GGAARN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000002093460 570940481 /nfs/dbraw/zinc/94/04/81/570940481.db2.gz SQCZYILTBISRRS-AWEZNQCLSA-N 0 0 393.461 3.345 50 0 biogenic GGAARN CC[C@H](C)[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000047174007 570945923 /nfs/dbraw/zinc/94/59/23/570945923.db2.gz VCBKCQDCBJLPFR-XOBRGWDASA-N 0 0 389.459 3.176 50 0 GGAARN COc1c2c(cc(CCN(C)C(=O)c3ccccc3Cl)c1C=O)OCO2 ZINC000002104572 570946236 /nfs/dbraw/zinc/94/62/36/570946236.db2.gz YTWWXUOMMWZQED-UHFFFAOYSA-N 0 0 375.808 3.205 50 0 biogenic GGAARN COCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@@H]1c1ccccc1 ZINC000004732754 570947312 /nfs/dbraw/zinc/94/73/12/570947312.db2.gz QZYVBIABSZFIRZ-RTBURBONSA-N 0 0 378.432 3.001 50 0 GGAARN CCOc1ccc(-c2nc3s/c(=C/c4ccc(CC)cc4)c(=O)n3n2)cc1 ZINC000002533447 570947763 /nfs/dbraw/zinc/94/77/63/570947763.db2.gz RVYAYITXYZVSDL-QGOAFFKASA-N 0 0 377.469 3.327 50 0 GGAARN CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1ccccn1 ZINC000002394597 570947813 /nfs/dbraw/zinc/94/78/13/570947813.db2.gz CHINUBZOKAVQON-UHFFFAOYSA-N 0 0 399.476 3.108 50 0 GGAARN CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccccn1 ZINC000002522443 570947930 /nfs/dbraw/zinc/94/79/30/570947930.db2.gz GQNLUFWRDMVGIF-UHFFFAOYSA-N 0 0 375.404 3.369 50 0 GGAARN CN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(Cl)cc2)C1=O ZINC000002105340 570948379 /nfs/dbraw/zinc/94/83/79/570948379.db2.gz HERFNNTYFIIIDQ-PXNSSMCTSA-N 0 0 379.847 3.136 50 0 biogenic GGAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3OC)n2C)cc1OC ZINC000004736354 570950755 /nfs/dbraw/zinc/95/07/55/570950755.db2.gz CHCIITMLFPQUAB-UHFFFAOYSA-N 0 0 399.472 3.483 50 0 GGAARN Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CC3)CC(=O)N12 ZINC000002111696 570950865 /nfs/dbraw/zinc/95/08/65/570950865.db2.gz KNDMVJRPJMMTRO-NZQKXSOJSA-N 0 0 385.467 3.324 50 0 biogenic GGAARN CCC[C@H](C)NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000004736596 570951739 /nfs/dbraw/zinc/95/17/39/570951739.db2.gz RJHBBMCWEQEVKA-HNNXBMFYSA-N 0 0 378.469 3.326 50 0 GGAARN O=C(NCc1cccc(Cl)c1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 ZINC000263615094 570952253 /nfs/dbraw/zinc/95/22/53/570952253.db2.gz ANCLBWKSJSGGKP-KRWDZBQOSA-N 0 0 386.814 3.272 50 0 GGAARN COc1cccc(-c2cc3n(n2)[C@@H](NCc2cccc(Cl)c2)CNC3=O)c1 ZINC000263615037 570952281 /nfs/dbraw/zinc/95/22/81/570952281.db2.gz AFRXLUCUAYWJDS-LJQANCHMSA-N 0 0 382.851 3.244 50 0 GGAARN COc1cccc(-c2cc3n(n2)[C@H](NCc2cccc(Cl)c2)CNC3=O)c1 ZINC000263615036 570952286 /nfs/dbraw/zinc/95/22/86/570952286.db2.gz AFRXLUCUAYWJDS-IBGZPJMESA-N 0 0 382.851 3.244 50 0 GGAARN COc1ccc([C@@H](O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)cc1 ZINC000263614994 570952309 /nfs/dbraw/zinc/95/23/09/570952309.db2.gz ABLBJPHYGGZFEP-NRFANRHFSA-N 0 0 375.428 3.214 50 0 GGAARN CC(C)NC(=O)N(O)[C@@H]1N(C(C)C)C(=O)N(Cc2ccc(F)cc2)C1(C)C ZINC000001279108 570952748 /nfs/dbraw/zinc/95/27/48/570952748.db2.gz GKLXRIKSVYZZIJ-INIZCTEOSA-N 0 0 380.464 3.386 50 0 GGAARN COc1cccc(Cn2ccn3nc(-c4ccc(C)cc4)c(CO)c3c2=O)c1 ZINC000263615234 570953147 /nfs/dbraw/zinc/95/31/47/570953147.db2.gz BIBXVOCJCZJUOE-UHFFFAOYSA-N 0 0 375.428 3.021 50 0 GGAARN C[C@@H](CCc1ccccc1)NC(=O)c1nnn2cc(-c3ccccc3)[nH]c(=O)c12 ZINC000263615250 570953157 /nfs/dbraw/zinc/95/31/57/570953157.db2.gz BJVRJVMDXDHZNC-HNNXBMFYSA-N 0 0 387.443 3.248 50 0 GGAARN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCOCC4)cc3)CC2=O)cc1 ZINC000004741036 570955690 /nfs/dbraw/zinc/95/56/90/570955690.db2.gz OZQPRRBPDQTYEX-GOSISDBHSA-N 0 0 393.487 3.077 50 0 GGAARN CCN(CC)C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000004741104 570955761 /nfs/dbraw/zinc/95/57/61/570955761.db2.gz RGRJUWBDFJUEGD-UHFFFAOYSA-N 0 0 376.478 3.002 50 0 GGAARN CN1CCO[C@H](CNC(=O)c2oc3ccccc3c2COc2ccccc2)C1 ZINC000194615616 570956742 /nfs/dbraw/zinc/95/67/42/570956742.db2.gz ILASOISGBZVMET-QGZVFWFLSA-N 0 0 380.444 3.072 50 0 GGAARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cc(-c2ccco2)on1 ZINC000207996632 570956767 /nfs/dbraw/zinc/95/67/67/570956767.db2.gz JMWGYLBJEURQKX-CQSZACIVSA-N 0 0 392.371 3.223 50 0 GGAARN COc1ccccc1CCNC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O ZINC000004742831 570956953 /nfs/dbraw/zinc/95/69/53/570956953.db2.gz QHXUPQPATSJXQQ-UHFFFAOYSA-N 0 0 395.455 3.328 50 0 GGAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000001320095 570957438 /nfs/dbraw/zinc/95/74/38/570957438.db2.gz HPAKILCZTKWIFK-PSNYSBIKSA-N 0 0 388.504 3.382 50 0 biogenic GGAARN O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2coc3ccc(F)cc3c2=O)[NH2+]1 ZINC000002126385 570958099 /nfs/dbraw/zinc/95/80/99/570958099.db2.gz OWGOLIXIYLAQGD-QFBILLFUSA-N 0 0 378.359 3.102 50 0 biogenic GGAARN O=C(NCc1cccnc1)[C@H]1CCCN(c2ncnc3c4ccccc4oc32)C1 ZINC000033290526 570958644 /nfs/dbraw/zinc/95/86/44/570958644.db2.gz SFGLWMDXYPNELK-INIZCTEOSA-N 0 0 387.443 3.304 50 0 GGAARN Cc1oc(-c2ccccc2)nc1Cn1nnc(C(=O)Nc2ccccc2F)c1N ZINC000033291682 570958955 /nfs/dbraw/zinc/95/89/55/570958955.db2.gz XWINHULSLKWQDD-UHFFFAOYSA-N 0 0 392.394 3.263 50 0 GGAARN CCc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(NC(C)=O)cc3)n2)cc1 ZINC000012111568 570959050 /nfs/dbraw/zinc/95/90/50/570959050.db2.gz QMFVXEYVVITCOB-UHFFFAOYSA-N 0 0 376.416 3.006 50 0 GGAARN O=C(CSc1ncnc2c1cnn2-c1ccccc1)NCCc1ccccc1 ZINC000001346267 570959356 /nfs/dbraw/zinc/95/93/56/570959356.db2.gz DUEUMUUFWXYZAA-UHFFFAOYSA-N 0 0 389.484 3.267 50 0 GGAARN CCc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2cc3ccccc3o2)n1 ZINC000012124627 570959454 /nfs/dbraw/zinc/95/94/54/570959454.db2.gz VRSGPTCIAOJTRY-UHFFFAOYSA-N 0 0 389.415 3.394 50 0 GGAARN COc1ccc(CNC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)cc1 ZINC000004743653 570959448 /nfs/dbraw/zinc/95/94/48/570959448.db2.gz JTNNSKQRMOJDDJ-UHFFFAOYSA-N 0 0 381.428 3.368 50 0 biogenic GGAARN Cc1ncoc1C(=O)NCCN1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000012122436 570959693 /nfs/dbraw/zinc/95/96/93/570959693.db2.gz HEWXLVBHIJYBJK-HXUWFJFHSA-N 0 0 377.444 3.349 50 0 GGAARN Cc1cc(NC(=O)Cn2nc(C)c(Cl)c2C)nn1Cc1ccc(F)cc1 ZINC000004745776 570960396 /nfs/dbraw/zinc/96/03/96/570960396.db2.gz ZKGJSKBUWSPPKV-UHFFFAOYSA-N 0 0 375.835 3.484 50 0 GGAARN COc1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)c(OC)c1 ZINC000012165736 570960459 /nfs/dbraw/zinc/96/04/59/570960459.db2.gz RKUUYTCBLPIMPI-UHFFFAOYSA-N 0 0 394.427 3.234 50 0 GGAARN Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000012166523 570960749 /nfs/dbraw/zinc/96/07/49/570960749.db2.gz OISYUNZVWLVORC-UHFFFAOYSA-N 0 0 396.374 3.084 50 0 GGAARN COc1cccc(Oc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)c1 ZINC000002130597 570961914 /nfs/dbraw/zinc/96/19/14/570961914.db2.gz KCKUDWSSUCQXGI-UHFFFAOYSA-N 0 0 380.400 3.285 50 0 biogenic GGAARN O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCC(O)(c2ccccc2)CC1 ZINC000184386855 570962742 /nfs/dbraw/zinc/96/27/42/570962742.db2.gz GYUQLKVTJITSHB-LJQANCHMSA-N 0 0 379.504 3.206 50 0 GGAARN O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCC(O)(c2ccccc2)CC1 ZINC000184386835 570962922 /nfs/dbraw/zinc/96/29/22/570962922.db2.gz GYUQLKVTJITSHB-IBGZPJMESA-N 0 0 379.504 3.206 50 0 GGAARN CSc1ncc(CN2CCC[C@H](CNC(=O)CCc3ccccc3)C2)cn1 ZINC000012206000 570962953 /nfs/dbraw/zinc/96/29/53/570962953.db2.gz PUPNMBONZPELFK-GOSISDBHSA-N 0 0 384.549 3.160 50 0 GGAARN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCC(OC3CCCC3)CC2)cc1 ZINC000195397615 570964641 /nfs/dbraw/zinc/96/46/41/570964641.db2.gz YJMLWCDNNLBLQQ-UHFFFAOYSA-N 0 0 379.522 3.433 50 0 GGAARN O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)N1CCc2ccccc21 ZINC000004164054 570968125 /nfs/dbraw/zinc/96/81/25/570968125.db2.gz XXNRORYCJVMUNJ-UHFFFAOYSA-N 0 0 387.468 3.473 50 0 GGAARN CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCC ZINC000043772165 570969174 /nfs/dbraw/zinc/96/91/74/570969174.db2.gz HLETUMXUCSCVPL-GWSKAPOCSA-N 0 0 381.557 3.094 50 0 in-vitro GGAARN Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000004166081 570969360 /nfs/dbraw/zinc/96/93/60/570969360.db2.gz WZDRHJKFQZHZTG-UHFFFAOYSA-N 0 0 387.443 3.146 50 0 GGAARN Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)c1 ZINC000004166075 570969365 /nfs/dbraw/zinc/96/93/65/570969365.db2.gz AAXRAMRQRQMPOJ-UHFFFAOYSA-N 0 0 387.443 3.146 50 0 GGAARN COC(=O)c1cc2nc(Cc3ccccc3)oc2c(NC(=O)[C@H]2CCOC2)c1 ZINC000004761171 570969642 /nfs/dbraw/zinc/96/96/42/570969642.db2.gz YNWKAMZQRQFNTL-AWEZNQCLSA-N 0 0 380.400 3.180 50 0 GGAARN COC(=O)c1ccc(CSc2ncnc3c2nnn3Cc2ccc(F)cc2)o1 ZINC000004166479 570969703 /nfs/dbraw/zinc/96/97/03/570969703.db2.gz QVSAFFQQWWTOOI-UHFFFAOYSA-N 0 0 399.407 3.081 50 0 GGAARN O=C(CSc1ncnc2c1nnn2Cc1ccc(F)cc1)Nc1ccccc1 ZINC000004166424 570969746 /nfs/dbraw/zinc/96/97/46/570969746.db2.gz UTFXIJGWJIYDEW-UHFFFAOYSA-N 0 0 394.435 3.140 50 0 GGAARN O=C(CC[C@H]1NC(=O)N(c2cccc3ccccc32)C1=O)NCCc1ccco1 ZINC000252487979 570969794 /nfs/dbraw/zinc/96/97/94/570969794.db2.gz IGECATQNDJCSCZ-GOSISDBHSA-N 0 0 391.427 3.201 50 0 GGAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000211110500 570969829 /nfs/dbraw/zinc/96/98/29/570969829.db2.gz OOLIAKFGQTXZNI-UHFFFAOYSA-N 0 0 391.876 3.499 50 0 GGAARN Cc1cccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)c1 ZINC000004166658 570970172 /nfs/dbraw/zinc/97/01/72/570970172.db2.gz LRJGUHYAJSZWTD-UHFFFAOYSA-N 0 0 394.435 3.389 50 0 GGAARN CCN(CC)C(=O)[C@@H]1CCCN(c2ncnc3c2cnn3-c2cccc(C)c2)C1 ZINC000004167186 570970531 /nfs/dbraw/zinc/97/05/31/570970531.db2.gz NIYDQEKNKGSFFJ-QGZVFWFLSA-N 0 0 392.507 3.209 50 0 GGAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3cccc(OC)c3)cc2oc1=O ZINC000002146417 570971729 /nfs/dbraw/zinc/97/17/29/570971729.db2.gz LLAYJZMHJOINAJ-UHFFFAOYSA-N 0 0 396.395 3.087 50 0 biogenic GGAARN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C)CC2)cc1 ZINC000007599972 570972023 /nfs/dbraw/zinc/97/20/23/570972023.db2.gz SDTYOSXSHSPPSC-UHFFFAOYSA-N 0 0 388.489 3.043 50 0 GGAARN CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000002148890 570972229 /nfs/dbraw/zinc/97/22/29/570972229.db2.gz URKPBLISFCMMMQ-QGZVFWFLSA-N 0 0 381.384 3.403 50 0 biogenic GGAARN O=C(CCn1cnc2ccccc2c1=O)N1CCS[C@@H](c2ccccc2)CC1 ZINC000208039613 570972477 /nfs/dbraw/zinc/97/24/77/570972477.db2.gz WLFXFROQSYOOBP-HXUWFJFHSA-N 0 0 393.512 3.493 50 0 GGAARN Cc1cc2ncc3c(n2n1)CCN(C(=O)c1cccc(Oc2ccccn2)c1)C3 ZINC000208037649 570972643 /nfs/dbraw/zinc/97/26/43/570972643.db2.gz CKQDTZDMQYQVNW-UHFFFAOYSA-N 0 0 385.427 3.424 50 0 GGAARN COc1ccc(CN2CC(=O)N3[C@@H](C)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002155012 570973692 /nfs/dbraw/zinc/97/36/92/570973692.db2.gz FKLAXTMGRBKEBZ-XOBRGWDASA-N 0 0 389.455 3.033 50 0 biogenic GGAARN COC(=O)c1ccc(S(=O)(=O)N2CCS[C@@H](c3ccccc3)CC2)cc1 ZINC000208044706 570974563 /nfs/dbraw/zinc/97/45/63/570974563.db2.gz ZVSGVDDGEJZEJO-GOSISDBHSA-N 0 0 391.514 3.342 50 0 GGAARN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725240622 570974809 /nfs/dbraw/zinc/97/48/09/570974809.db2.gz RQJPJZWTGLIZQX-UHFFFAOYSA-N 0 0 394.471 3.416 50 0 GGAARN CC(C)CS(=O)(=O)[C@@H]1CCCN(C(=O)CCCC(=O)c2ccccc2)C1 ZINC000585146936 570976749 /nfs/dbraw/zinc/97/67/49/570976749.db2.gz SXOAGCLDPVCPHW-GOSISDBHSA-N 0 0 379.522 3.101 50 0 GGAARN Cc1cc(C)nc(O[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)n1 ZINC000585147273 570977196 /nfs/dbraw/zinc/97/71/96/570977196.db2.gz LWRBLZLWFLFAIL-LBPRGKRZSA-N 0 0 387.914 3.040 50 0 GGAARN CC(C)[C@@H](NC(=O)c1ccn2nnnc2c1)c1nc2ccccc2n1C(C)C ZINC000252502857 570977433 /nfs/dbraw/zinc/97/74/33/570977433.db2.gz UVVKRLYYVYSZMF-GOSISDBHSA-N 0 0 377.452 3.182 50 0 GGAARN Cc1cc(O[C@@H]2CCN(C(=O)COc3ccc(Cl)cc3Cl)C2)nc(C)n1 ZINC000585147342 570977500 /nfs/dbraw/zinc/97/75/00/570977500.db2.gz IEZDZHVAFCULQH-CQSZACIVSA-N 0 0 396.274 3.459 50 0 GGAARN Cc1cc(C)nc(O[C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)n1 ZINC000585147458 570977516 /nfs/dbraw/zinc/97/75/16/570977516.db2.gz ZWACFNGJORZQLY-OAHLLOKOSA-N 0 0 395.912 3.287 50 0 GGAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N(CC)c2cccc(C)c2)c1=O ZINC000044839996 570978908 /nfs/dbraw/zinc/97/89/08/570978908.db2.gz KQPXDPYLEPAFHC-QGZVFWFLSA-N 0 0 393.487 3.496 50 0 GGAARN CCOC(=O)N1CCN(C(=O)c2cc(-c3cccc4ccccc43)n[nH]2)CC1 ZINC000044838833 570978952 /nfs/dbraw/zinc/97/89/52/570978952.db2.gz HFJBMXGELCGANA-UHFFFAOYSA-N 0 0 378.432 3.144 50 0 GGAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2Cl)c1=O ZINC000044839941 570979174 /nfs/dbraw/zinc/97/91/74/570979174.db2.gz HIJVBNKNZLUMLP-ZDUSSCGKSA-N 0 0 385.851 3.426 50 0 GGAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cccc(SC)c2)c1=O ZINC000044840308 570979413 /nfs/dbraw/zinc/97/94/13/570979413.db2.gz PLLOXXJBLPZMHH-AWEZNQCLSA-N 0 0 397.500 3.495 50 0 GGAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cccc(Cl)c2)c1=O ZINC000044840168 570979462 /nfs/dbraw/zinc/97/94/62/570979462.db2.gz FUOOSKJZKNRBBS-ZDUSSCGKSA-N 0 0 385.851 3.426 50 0 GGAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2C)c1=O ZINC000044840721 570979482 /nfs/dbraw/zinc/97/94/82/570979482.db2.gz ZWIJUPNMMNDOEW-CQSZACIVSA-N 0 0 383.423 3.220 50 0 GGAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2C)c1=O ZINC000044840733 570979534 /nfs/dbraw/zinc/97/95/34/570979534.db2.gz FCIIJEGNINUCBU-AWEZNQCLSA-N 0 0 383.423 3.220 50 0 GGAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cc(C)ccc2C)c1=O ZINC000044840332 570979541 /nfs/dbraw/zinc/97/95/41/570979541.db2.gz FTYHQXJUQPSOSZ-MRXNPFEDSA-N 0 0 379.460 3.390 50 0 GGAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)NCc2ccc(Cl)cc2)c1=O ZINC000044840448 570979546 /nfs/dbraw/zinc/97/95/46/570979546.db2.gz CEKOMXBZNWOMCW-CQSZACIVSA-N 0 0 399.878 3.104 50 0 GGAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cccc(C)c2C)c1=O ZINC000044840571 570979628 /nfs/dbraw/zinc/97/96/28/570979628.db2.gz CPHGVXIQTUPTNL-OAHLLOKOSA-N 0 0 379.460 3.390 50 0 GGAARN COc1ccc(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)c(OC)c1 ZINC000044841381 570979794 /nfs/dbraw/zinc/97/97/94/570979794.db2.gz ABMLPLZCXAJOSR-UHFFFAOYSA-N 0 0 398.459 3.365 50 0 GGAARN CC(=O)Nc1ccc(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)cc1 ZINC000044841640 570979801 /nfs/dbraw/zinc/97/98/01/570979801.db2.gz KYCGZDZXFIBMDC-UHFFFAOYSA-N 0 0 395.459 3.307 50 0 GGAARN CC(C)[C@@H](NC(=O)CCN1Cc2ccccc2C1=O)c1nc2ccccc2[nH]1 ZINC000252510563 570979869 /nfs/dbraw/zinc/97/98/69/570979869.db2.gz ZNSRXBVAKVTHAZ-HXUWFJFHSA-N 0 0 376.460 3.422 50 0 GGAARN O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)NCc1ccncc1 ZINC000033325981 570979949 /nfs/dbraw/zinc/97/99/49/570979949.db2.gz NYNAARKILIBUAY-QGZVFWFLSA-N 0 0 394.500 3.451 50 0 GGAARN O=C(Cn1nc(-c2ccccc2F)ccc1=O)Nc1cc(F)c(F)c(F)c1 ZINC000044891249 570980806 /nfs/dbraw/zinc/98/08/06/570980806.db2.gz BHMXTRBFGCFYOW-UHFFFAOYSA-N 0 0 377.297 3.105 50 0 GGAARN COc1ccccc1S(=O)(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 ZINC000585147828 570980910 /nfs/dbraw/zinc/98/09/10/570980910.db2.gz AODUCXQGNZGLEJ-GFCCVEGCSA-N 0 0 395.527 3.497 50 0 GGAARN COCc1nc2cc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)ccc2[nH]1 ZINC000044900749 570981244 /nfs/dbraw/zinc/98/12/44/570981244.db2.gz QMVGIAXUJJUNHI-GFCCVEGCSA-N 0 0 398.850 3.354 50 0 GGAARN Cc1cc(C)n([C@H](CNC(=O)c2cncc(Br)c2)c2ccco2)n1 ZINC000585148168 570981377 /nfs/dbraw/zinc/98/13/77/570981377.db2.gz SZEHZDQJKGRULI-OAHLLOKOSA-N 0 0 389.253 3.270 50 0 GGAARN COC(=O)CC1CCN(C(=O)COc2cccc3c2ccn3CC(C)C)CC1 ZINC000524733221 570981442 /nfs/dbraw/zinc/98/14/42/570981442.db2.gz HUZUPAUHJQGBAN-UHFFFAOYSA-N 0 0 386.492 3.478 50 0 GGAARN O=C(NCc1cccs1)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 ZINC000585148260 570981908 /nfs/dbraw/zinc/98/19/08/570981908.db2.gz UWTQVFPJYSLZEV-GFCCVEGCSA-N 0 0 392.527 3.004 50 0 GGAARN COc1cccc2cc(C(=O)N3CC[C@@H](c4ccc5c(c4)CCO5)C3)c(=O)oc21 ZINC000585148766 570981912 /nfs/dbraw/zinc/98/19/12/570981912.db2.gz DTZZWMLNZHUHOZ-QGZVFWFLSA-N 0 0 391.423 3.366 50 0 GGAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCN(c2cnsn2)CC1 ZINC000585148706 570982092 /nfs/dbraw/zinc/98/20/92/570982092.db2.gz CHZFNWBVBNSKNQ-UHFFFAOYSA-N 0 0 378.457 3.125 50 0 GGAARN COc1cc(C)c(C)cc1S(=O)(=O)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 ZINC000585149092 570982610 /nfs/dbraw/zinc/98/26/10/570982610.db2.gz VFYYVQUSRNOTJD-GOSISDBHSA-N 0 0 387.501 3.425 50 0 GGAARN CCOc1ccc(S(=O)(=O)N2CC[C@@H](n3cnc4ccccc43)C2)cc1C ZINC000585149346 570982638 /nfs/dbraw/zinc/98/26/38/570982638.db2.gz QLJXOEVSCSBZHN-MRXNPFEDSA-N 0 0 385.489 3.379 50 0 GGAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Oc3cccnc3)cc2)cc1 ZINC000016622626 570983004 /nfs/dbraw/zinc/98/30/04/570983004.db2.gz DNTSJDWIKQXPEH-UHFFFAOYSA-N 0 0 382.441 3.434 50 0 GGAARN COc1cccc(-c2nc(-c3cccc(OCC(=O)N4CCCC4)c3)no2)c1 ZINC000033327388 570983029 /nfs/dbraw/zinc/98/30/29/570983029.db2.gz GSNNUCYVUNWTOL-UHFFFAOYSA-N 0 0 379.416 3.413 50 0 GGAARN CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000585149925 570983447 /nfs/dbraw/zinc/98/34/47/570983447.db2.gz ZPEQVQTYNAPNKV-SWLSCSKDSA-N 0 0 398.334 3.050 50 0 GGAARN COc1ncccc1NC(=O)C(=O)NCc1c(OC(C)C)ccc2ccccc21 ZINC000044921033 570983585 /nfs/dbraw/zinc/98/35/85/570983585.db2.gz OMGOZPTVEGAPBW-UHFFFAOYSA-N 0 0 393.443 3.286 50 0 GGAARN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(SC)c2)cc1 ZINC000004778029 570985261 /nfs/dbraw/zinc/98/52/61/570985261.db2.gz CMMZMVSXDRDBCP-UHFFFAOYSA-N 0 0 394.518 3.114 50 0 GGAARN COc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)cc1 ZINC000004782456 570986074 /nfs/dbraw/zinc/98/60/74/570986074.db2.gz WBKCVGOHUOLLOY-UHFFFAOYSA-N 0 0 399.472 3.314 50 0 GGAARN COc1ccccc1N1CCN(C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000023224667 570988052 /nfs/dbraw/zinc/98/80/52/570988052.db2.gz LHWQPAZMVJJULY-OAQYLSRUSA-N 0 0 392.499 3.410 50 0 GGAARN Cc1ccccc1NC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=C1SCC(=O)N12 ZINC000004653274 570988533 /nfs/dbraw/zinc/98/85/33/570988533.db2.gz GMBADSWUJKPQSZ-OPYAIIAOSA-N 0 0 393.468 3.345 50 0 GGAARN 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ZINC000002735640 1398318019 /nfs/dbraw/zinc/31/80/19/1398318019.db2.gz KUMMEDWOBMQHQK-UHFFFAOYSA-N 0 0 386.399 3.195 50 0 GGAARN Cn1nc(C(F)(F)F)cc1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 ZINC000002743717 1398318148 /nfs/dbraw/zinc/31/81/48/1398318148.db2.gz XQMGUSNUAPBFOJ-UHFFFAOYSA-N 0 0 386.399 3.121 50 0 GGAARN COc1cccc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)=NC2(C)C)c1 ZINC000002713170 1398318239 /nfs/dbraw/zinc/31/82/39/1398318239.db2.gz ANMQWPIMLJPIDT-UHFFFAOYSA-N 0 0 385.851 3.355 50 0 GGAARN Cc1ccc(-c2csc(NC(=O)Cn3nnc(-c4ccccc4)n3)n2)cc1 ZINC000002787941 1398318485 /nfs/dbraw/zinc/31/84/85/1398318485.db2.gz ATJINZNTDOFTQR-UHFFFAOYSA-N 0 0 376.445 3.411 50 0 GGAARN CCSc1nnc(C(F)F)n1NC(=O)[C@@H](C)n1nc(C(F)(F)F)cc1C ZINC000002791466 1398318595 /nfs/dbraw/zinc/31/85/95/1398318595.db2.gz RUISGXOCNGKTQV-SSDOTTSWSA-N 0 0 398.361 3.183 50 0 GGAARN FC(F)(F)c1cccc(Cn2cc(NC(=S)NC[C@H]3CCCO3)cn2)c1 ZINC000002791524 1398318664 /nfs/dbraw/zinc/31/86/64/1398318664.db2.gz MPLCLXPYTVXYQH-OAHLLOKOSA-N 0 0 384.427 3.416 50 0 GGAARN CCSc1nnc(C(F)F)n1NC(=O)[C@H](C)n1nc(C(F)(F)F)cc1C ZINC000002791467 1398318830 /nfs/dbraw/zinc/31/88/30/1398318830.db2.gz RUISGXOCNGKTQV-ZETCQYMHSA-N 0 0 398.361 3.183 50 0 GGAARN CN(Cc1cnn(C)c1)C(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002769035 1398318928 /nfs/dbraw/zinc/31/89/28/1398318928.db2.gz VMSBECPTQPNOFC-UHFFFAOYSA-N 0 0 396.401 3.340 50 0 GGAARN CCOc1ccccc1NC(=O)c1cc2nccc(-c3cnn(C)c3C)n2n1 ZINC000002795563 1398319005 /nfs/dbraw/zinc/31/90/05/1398319005.db2.gz KQQOPPAZDJHILC-UHFFFAOYSA-N 0 0 376.420 3.089 50 0 GGAARN Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccn(COc2cc(C)ccc2Cl)n1 ZINC000002798093 1398319406 /nfs/dbraw/zinc/31/94/06/1398319406.db2.gz XVASKMKDWAWCFX-CYBMUJFWSA-N 0 0 387.871 3.414 50 0 GGAARN Cn1ncc(NC(=O)c2cc(-c3cccs3)on2)c1C(=O)N1CCCCC1 ZINC000002802301 1398319748 /nfs/dbraw/zinc/31/97/48/1398319748.db2.gz SOINDIXCOJPKOM-UHFFFAOYSA-N 0 0 385.449 3.015 50 0 GGAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=S)NCCCn1cccn1 ZINC000002803088 1398319762 /nfs/dbraw/zinc/31/97/62/1398319762.db2.gz XSSMERZYPMEJHD-UHFFFAOYSA-N 0 0 382.537 3.430 50 0 GGAARN CCn1ncc(-c2ccnc3cc(C(=O)Nc4cccc(OC)c4)nn32)c1C ZINC000002797969 1398319935 /nfs/dbraw/zinc/31/99/35/1398319935.db2.gz NKMRMUSTKIYAPM-UHFFFAOYSA-N 0 0 376.420 3.182 50 0 GGAARN Cc1sc(NC(=O)c2ccn(COc3ccccc3F)n2)c(C(N)=O)c1C ZINC000002798371 1398319973 /nfs/dbraw/zinc/31/99/73/1398319973.db2.gz RZZMNIAPPNMPTO-UHFFFAOYSA-N 0 0 388.424 3.088 50 0 GGAARN Cc1ccc(Cn2cc(N3C(=S)N=NC3Cn3cc(Cl)cn3)cn2)cc1 ZINC000002809670 1398320242 /nfs/dbraw/zinc/32/02/42/1398320242.db2.gz GROYMNHAKLUUMV-UHFFFAOYSA-N 0 0 385.884 3.007 50 0 GGAARN C[C@@H](c1ccccc1)N1C[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1=O ZINC000003008220 1398323999 /nfs/dbraw/zinc/32/39/99/1398323999.db2.gz XNMDPTPJHKJXNA-PKOBYXMFSA-N 0 0 395.478 3.084 50 0 GGAARN CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccc(F)cc1 ZINC000002999260 1398324513 /nfs/dbraw/zinc/32/45/13/1398324513.db2.gz CXPSEUCTHUTLLK-UHFFFAOYSA-N 0 0 389.448 3.451 50 0 GGAARN CNC(=O)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O ZINC000003134468 1398327043 /nfs/dbraw/zinc/32/70/43/1398327043.db2.gz MPFLEYOJNIJSQS-UHFFFAOYSA-N 0 0 378.272 3.294 50 0 GGAARN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000003302086 1398333652 /nfs/dbraw/zinc/33/36/52/1398333652.db2.gz PAGRKPPGPUEPKC-GOSISDBHSA-N 0 0 392.908 3.200 50 0 GGAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N ZINC000003338396 1398336019 /nfs/dbraw/zinc/33/60/19/1398336019.db2.gz PMFVMTSYTCKRFZ-UHFFFAOYSA-N 0 0 383.477 3.015 50 0 GGAARN COc1ccc(C=CC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1OC ZINC000003378126 1398339031 /nfs/dbraw/zinc/33/90/31/1398339031.db2.gz MVFXDALGGWVLJI-VZUCSPMQSA-N 0 0 383.400 3.102 50 0 GGAARN COc1cc(CN2COc3ccc4c(C)cc(=O)oc4c3C2)cc(OC)c1OC ZINC000055393811 1406946924 /nfs/dbraw/zinc/94/69/24/1406946924.db2.gz FPJOGHCTJRPMON-UHFFFAOYSA-N 0 0 397.427 3.479 50 0 biogenic GGAARN O=C1CS[C@@]2(c3ccccc3N(CN3CCCCC3)C2=O)N1c1ccccc1 ZINC000003651637 1398375262 /nfs/dbraw/zinc/37/52/62/1398375262.db2.gz XDLFCRMNNUPPHH-JOCHJYFZSA-N 0 0 393.512 3.409 50 0 GGAARN Cc1cc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)n(-c2ccccn2)n1 ZINC000003999782 1398375781 /nfs/dbraw/zinc/37/57/81/1398375781.db2.gz XNYLGTRMJYMELX-UHFFFAOYSA-N 0 0 390.399 3.008 50 0 biogenic GGAARN COc1ccccc1CN1C(=O)N(C(C)C)[C@H](N(O)C(=O)NC(C)C)C1(C)C ZINC000003985298 1398375917 /nfs/dbraw/zinc/37/59/17/1398375917.db2.gz AXPIMUVUCVGOMR-QGZVFWFLSA-N 0 0 392.500 3.255 50 0 biogenic GGAARN COc1ccc(C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000004032917 1398376486 /nfs/dbraw/zinc/37/64/86/1398376486.db2.gz YBFMFUWUIDSCPT-UHFFFAOYSA-N 0 0 380.444 3.135 50 0 GGAARN COc1cccc(C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)c1OC ZINC000004032900 1398376857 /nfs/dbraw/zinc/37/68/57/1398376857.db2.gz YUBDTXDCACCOJQ-UHFFFAOYSA-N 0 0 380.444 3.135 50 0 GGAARN COc1ccc2cc(CCNC(=O)C34CC5CC(CC(C5)C3)C4)c(=O)[nH]c2c1 ZINC000004032887 1398376905 /nfs/dbraw/zinc/37/69/05/1398376905.db2.gz VBKJUCZPENRQNW-UHFFFAOYSA-N 0 0 380.488 3.412 50 0 GGAARN COc1ccc(C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)c(OC)c1 ZINC000004032953 1398377044 /nfs/dbraw/zinc/37/70/44/1398377044.db2.gz OBSHGBURTYMNQA-UHFFFAOYSA-N 0 0 380.444 3.135 50 0 GGAARN CCS(=O)(=O)Nc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3F)C2)cc1 ZINC000004036265 1398377700 /nfs/dbraw/zinc/37/77/00/1398377700.db2.gz SPSJNNCKNAVWHS-IBGZPJMESA-N 0 0 389.452 3.285 50 0 GGAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)NC1CCCC1 ZINC000004073997 1398378214 /nfs/dbraw/zinc/37/82/14/1398378214.db2.gz FZERGOGCRZMSTP-VQIMIIECSA-N 0 0 390.505 3.111 50 0 biogenic GGAARN CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc1 ZINC000004066357 1398378788 /nfs/dbraw/zinc/37/87/88/1398378788.db2.gz WTXWQQXQMVSLQH-HXUWFJFHSA-N 0 0 396.443 3.335 50 0 GGAARN COc1ccc(N2C(=O)N3CCc4c5cc(OC)ccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000004073797 1398378840 /nfs/dbraw/zinc/37/88/40/1398378840.db2.gz HCPZSJZFLHDOHT-QFIPXVFZSA-N 0 0 391.427 3.425 50 0 biogenic GGAARN CC(C)N1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2C(N)=O)C1 ZINC000004087131 1398379267 /nfs/dbraw/zinc/37/92/67/1398379267.db2.gz ZHBGAHVJKJTYRL-UHFFFAOYSA-N 0 0 379.432 3.144 50 0 GGAARN CCN1CCc2c(sc(NC(=O)c3ccc(OC(C)C)cc3)c2C(N)=O)C1 ZINC000004087149 1398379344 /nfs/dbraw/zinc/37/93/44/1398379344.db2.gz KQFCTHVUIDKWPE-UHFFFAOYSA-N 0 0 387.505 3.265 50 0 GGAARN COCCOC(=O)c1oc2c(c1C)C(=O)C[C@H](c1ccc(OC)cc1OC)C2 ZINC000004086240 1398379385 /nfs/dbraw/zinc/37/93/85/1398379385.db2.gz AAZYKVKMGYSLSS-ZDUSSCGKSA-N 0 0 388.416 3.321 50 0 biogenic GGAARN COc1ccc2c(C)c(CC(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1 ZINC000004085018 1398379420 /nfs/dbraw/zinc/37/94/20/1398379420.db2.gz JPMBUASSJZHLSJ-UHFFFAOYSA-N 0 0 390.439 3.493 50 0 biogenic GGAARN CN1CCc2c(sc(NC(=O)c3cccc(C(F)(F)F)c3)c2C(N)=O)C1 ZINC000004087133 1398379427 /nfs/dbraw/zinc/37/94/27/1398379427.db2.gz IZSYYKFXHVUOLA-UHFFFAOYSA-N 0 0 383.395 3.106 50 0 GGAARN C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000004085403 1398379450 /nfs/dbraw/zinc/37/94/50/1398379450.db2.gz NXHKTEWRXLFZBT-CQSZACIVSA-N 0 0 376.412 3.401 50 0 biogenic GGAARN C[C@H]1OC2(O[C@@H]1C)c1ccccc1N(S(=O)(=O)c1ccccc1Cl)C2=O ZINC000004105300 1398380128 /nfs/dbraw/zinc/38/01/28/1398380128.db2.gz GWSPAIJIRZNJCU-VXGBXAGGSA-N 0 0 393.848 3.052 50 0 GGAARN COc1ccc(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C)c(OC)c1 ZINC000004090601 1398380237 /nfs/dbraw/zinc/38/02/37/1398380237.db2.gz QTRQSGHOKWYSQL-CQSZACIVSA-N 0 0 385.460 3.409 50 0 biogenic GGAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@H]1COc2ccccc2O1 ZINC000004088509 1398380254 /nfs/dbraw/zinc/38/02/54/1398380254.db2.gz CUHOLZBVSBCXCB-QGZVFWFLSA-N 0 0 382.397 3.317 50 0 aggregator GGAARN CCN1CCc2c(sc(NC(=O)c3ccc4ncsc4c3)c2C(N)=O)C1 ZINC000004088584 1398380310 /nfs/dbraw/zinc/38/03/10/1398380310.db2.gz MMEPDMVOBBGNKA-UHFFFAOYSA-N 0 0 386.502 3.087 50 0 GGAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1csc2NC(=O)C1CC1 ZINC000004121262 1398380658 /nfs/dbraw/zinc/38/06/58/1398380658.db2.gz UPDUKZLNHYLJPS-UHFFFAOYSA-N 0 0 397.456 3.281 50 0 GGAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c1csc2NC(=O)CC ZINC000004121268 1398380673 /nfs/dbraw/zinc/38/06/73/1398380673.db2.gz JLVKGVZJGRGMJJ-UHFFFAOYSA-N 0 0 389.408 3.112 50 0 GGAARN COCCn1c(SCC(=O)N2CCCCC2)nnc1-c1c[nH]c2ccccc21 ZINC000004138644 1398381423 /nfs/dbraw/zinc/38/14/23/1398381423.db2.gz TYXVMHFGHBOMBT-UHFFFAOYSA-N 0 0 399.520 3.177 50 0 GGAARN Cc1ccc(-c2nnc3ccc(SCC(=O)N4CCC(C)CC4)nn32)cc1 ZINC000004164649 1398381458 /nfs/dbraw/zinc/38/14/58/1398381458.db2.gz IKNARNKRWJKWOB-UHFFFAOYSA-N 0 0 381.505 3.450 50 0 GGAARN O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)N1CCCCCC1 ZINC000004164505 1398381513 /nfs/dbraw/zinc/38/15/13/1398381513.db2.gz PXOJIPJSNRVWAH-UHFFFAOYSA-N 0 0 385.468 3.425 50 0 GGAARN CCOc1ccc(-n2nnc3c2ncn(Cc2cc(C)ccc2C)c3=O)cc1 ZINC000004139945 1398381588 /nfs/dbraw/zinc/38/15/88/1398381588.db2.gz BLVODRQCERXRCW-UHFFFAOYSA-N 0 0 375.432 3.041 50 0 GGAARN O=C1N[C@H](c2ccc(Cl)cc2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004163392 1398381713 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CN(CC(=O)N1CCn2c3ccccc3nc21)c1nc2c(cccc2F)s1 ZINC000070973485 1409809111 /nfs/dbraw/zinc/80/91/11/1409809111.db2.gz PAZTUTPEZGMZAS-UHFFFAOYSA-N 0 0 381.436 3.268 50 0 GGAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@]21c2cc(Cl)cc(Cl)c2N(C)C1=O ZINC000071279289 1409822863 /nfs/dbraw/zinc/82/28/63/1409822863.db2.gz DMPRQWHXUFOHGZ-QGZVFWFLSA-N 0 0 395.246 3.318 50 0 GGAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](c1ccc(F)c(Cl)c1)CC(=O)N2 ZINC000071281066 1409823015 /nfs/dbraw/zinc/82/30/15/1409823015.db2.gz JTHSAOZBYLLAOZ-RYUDHWBXSA-N 0 0 397.859 3.467 50 0 GGAARN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nccn3nc(-c4ccccc4)cc23)C1 ZINC000071328516 1409823341 /nfs/dbraw/zinc/82/33/41/1409823341.db2.gz QLCFWGUETNKZEA-MRXNPFEDSA-N 0 0 379.464 3.500 50 0 GGAARN Cc1c(C(=O)Nc2cccc(C)c2C)nnn1CC(=O)Nc1cccc(C)c1 ZINC000071327120 1409823373 /nfs/dbraw/zinc/82/33/73/1409823373.db2.gz GQYAFDSIVCPKEL-UHFFFAOYSA-N 0 0 377.448 3.403 50 0 GGAARN COc1ccc(C2=NC(C)(C)N(CC(=O)NCc3ccccc3Cl)C2=O)cc1 ZINC000071327802 1409823396 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CCOc1ccccc1C(=O)N[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000077100812 1409893413 /nfs/dbraw/zinc/89/34/13/1409893413.db2.gz AVEWTLLMCDYOAW-KRWDZBQOSA-N 0 0 392.459 3.140 50 0 GGAARN Cn1nc([C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)n(-c2ccccc2)c1=O ZINC000077100559 1409893477 /nfs/dbraw/zinc/89/34/77/1409893477.db2.gz DSOPLAOYBNPVQS-OAHLLOKOSA-N 0 0 396.878 3.244 50 0 GGAARN O=S(=O)(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)c1ccccc1F ZINC000077101177 1409893502 /nfs/dbraw/zinc/89/35/02/1409893502.db2.gz ZYGKZGCWWAEPFK-UHFFFAOYSA-N 0 0 389.374 3.033 50 0 GGAARN O=C(NCCn1nc(C2CC2)n(-c2ccccc2)c1=O)Nc1ccccc1Cl ZINC000077198033 1409894093 /nfs/dbraw/zinc/89/40/93/1409894093.db2.gz JGODWCTYBJDMFC-UHFFFAOYSA-N 0 0 397.866 3.387 50 0 GGAARN Cc1noc(-c2cccn(Cc3nc(-c4ccc(F)c(Cl)c4)no3)c2=O)n1 ZINC000077200487 1409894147 /nfs/dbraw/zinc/89/41/47/1409894147.db2.gz XZKRTCBYBUVINB-UHFFFAOYSA-N 0 0 387.758 3.098 50 0 GGAARN O=C(NCc1ccccn1)C1CN(c2nc3c(cccc3C(F)(F)F)s2)C1 ZINC000077191772 1409894166 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O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3cccs3)n[nH]1)CC2)C1CC1 ZINC000077191959 1409894262 /nfs/dbraw/zinc/89/42/62/1409894262.db2.gz AUYHKIUEYHJUNY-UHFFFAOYSA-N 0 0 399.501 3.142 50 0 GGAARN CCOC(=O)N=c1[nH]c2c(s1)CN(C(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000077196349 1409894280 /nfs/dbraw/zinc/89/42/80/1409894280.db2.gz AHPQSBDTUPYHGP-UHFFFAOYSA-N 0 0 390.421 3.030 50 0 GGAARN CCOC(=O)CCC(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1 ZINC000077200284 1409894291 /nfs/dbraw/zinc/89/42/91/1409894291.db2.gz TUFYRDCGDNDYPQ-HOTGVXAUSA-N 0 0 380.416 3.145 50 0 GGAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cn(C[C@@H](O)c2ccccc2)nn1 ZINC000077197159 1409894294 /nfs/dbraw/zinc/89/42/94/1409894294.db2.gz BIONAKIYQSHTLQ-MRXNPFEDSA-N 0 0 376.338 3.283 50 0 GGAARN COCCN(Cc1ccncc1)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000077200814 1409894587 /nfs/dbraw/zinc/89/45/87/1409894587.db2.gz JCTCGUURKJMBRY-UHFFFAOYSA-N 0 0 388.411 3.079 50 0 GGAARN O=C(Cc1ccc(NS(=O)(=O)Cc2cc(F)ccc2F)cc1)N1CCCC1 ZINC000077200757 1409894665 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/nfs/dbraw/zinc/25/22/38/209252238.db2.gz BPWADQSNOHAKDB-MHWRWJLKSA-N 0 0 399.859 3.036 50 0 GGAARN CCOc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 ZINC000000628095 209252029 /nfs/dbraw/zinc/25/20/29/209252029.db2.gz BCKRONPPZBYSIY-LJQANCHMSA-N 0 0 390.505 3.335 50 0 GGAARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl ZINC000000627954 209251773 /nfs/dbraw/zinc/25/17/73/209251773.db2.gz OHRNAPHFPLXKBW-SNVBAGLBSA-N 0 0 378.885 3.016 50 0 GGAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccccc1Cl ZINC000000630030 209251823 /nfs/dbraw/zinc/25/18/23/209251823.db2.gz OJINWGXAKOWMKS-UHFFFAOYSA-N 0 0 392.640 3.451 50 0 GGAARN C[C@H]1CCc2c(sc(NC(=S)NC(=O)Cc3ccccc3)c2C(N)=O)C1 ZINC000000623834 209251619 /nfs/dbraw/zinc/25/16/19/209251619.db2.gz VQIOXUYVAWRHSS-NSHDSACASA-N 0 0 387.530 3.028 50 0 GGAARN CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000000625227 209251658 /nfs/dbraw/zinc/25/16/58/209251658.db2.gz ZKHSLEDCORXCPQ-SFHVURJKSA-N 0 0 380.400 3.086 50 0 GGAARN O=C(Nc1cccc(O)c1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000628236 209251492 /nfs/dbraw/zinc/25/14/92/209251492.db2.gz XCQFGZOUZDIIMV-FQEVSTJZSA-N 0 0 386.407 3.238 50 0 GGAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(OCc2ccccc2)c1 ZINC000000627578 209251097 /nfs/dbraw/zinc/25/10/97/209251097.db2.gz IYIZHVIOUDALKX-IBGZPJMESA-N 0 0 382.416 3.075 50 0 GGAARN CCOc1cc(CNc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OCC ZINC000000624197 209251173 /nfs/dbraw/zinc/25/11/73/209251173.db2.gz HLBPPZWGWYPTIL-UHFFFAOYSA-N 0 0 384.885 3.397 50 0 GGAARN CC1(C)COc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2NC1=O ZINC000009173218 209250586 /nfs/dbraw/zinc/25/05/86/209250586.db2.gz KMCPXUWNMROBGX-UHFFFAOYSA-N 0 0 380.853 3.498 50 0 GGAARN CN1c2cc(NS(=O)(=O)Cc3ccc(F)cc3)ccc2OCC(C)(C)C1=O ZINC000009170332 209250285 /nfs/dbraw/zinc/25/02/85/209250285.db2.gz RKBPGYUUEYDUMP-UHFFFAOYSA-N 0 0 392.452 3.149 50 0 GGAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)c(C)c1 ZINC000009169040 209250135 /nfs/dbraw/zinc/25/01/35/209250135.db2.gz BVTIPTJSJNEBDD-UHFFFAOYSA-N 0 0 390.461 3.162 50 0 GGAARN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)ccc1F ZINC000009170117 209249918 /nfs/dbraw/zinc/24/99/18/209249918.db2.gz FASOKEXIYZPFMP-UHFFFAOYSA-N 0 0 392.452 3.316 50 0 GGAARN CN1c2cc(NS(=O)(=O)Cc3ccccc3F)ccc2OCC(C)(C)C1=O ZINC000009170316 209250037 /nfs/dbraw/zinc/25/00/37/209250037.db2.gz ZBLXGKCJRJXBQJ-UHFFFAOYSA-N 0 0 392.452 3.149 50 0 GGAARN Cc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3c(cc(F)cc3F)s2)n(C)n1 ZINC000009201053 209249733 /nfs/dbraw/zinc/24/97/33/209249733.db2.gz OPNARYVCCXDNTG-GFCCVEGCSA-N 0 0 392.431 3.442 50 0 GGAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c(C)c1 ZINC000009169968 209249827 /nfs/dbraw/zinc/24/98/27/209249827.db2.gz ZVIQCHDXVLSTDA-UHFFFAOYSA-N 0 0 388.489 3.486 50 0 GGAARN Cc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc4c(c3)CCCC4)CC2=O)cc1 ZINC000009037212 209248843 /nfs/dbraw/zinc/24/88/43/209248843.db2.gz NKTFCVDYDQLRFV-QGZVFWFLSA-N 0 0 398.528 3.205 50 0 GGAARN CCOc1ccc(N2C[C@H](CNC(=O)Nc3ccccc3OC)CC2=O)cc1 ZINC000009039494 209248733 /nfs/dbraw/zinc/24/87/33/209248733.db2.gz APDLBPJSAHZBLN-HNNXBMFYSA-N 0 0 383.448 3.269 50 0 GGAARN COc1cccc2cc(-c3nnc(NC(=O)[C@H]4COc5ccccc5O4)o3)oc21 ZINC000009167331 209248523 /nfs/dbraw/zinc/24/85/23/209248523.db2.gz XXTLCKMEYQNHBW-MRXNPFEDSA-N 0 0 393.355 3.270 50 0 GGAARN CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 ZINC000009168827 209248353 /nfs/dbraw/zinc/24/83/53/209248353.db2.gz XQCKFJGUZILJNX-UHFFFAOYSA-N 0 0 390.461 3.243 50 0 GGAARN CC1(C)COc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2NC1=O ZINC000009168750 209248404 /nfs/dbraw/zinc/24/84/04/209248404.db2.gz ZBXHKSIHZZJTBF-UHFFFAOYSA-N 0 0 380.853 3.498 50 0 GGAARN O=C(NC[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1)Nc1c(F)cccc1F ZINC000009066916 209248436 /nfs/dbraw/zinc/24/84/36/209248436.db2.gz LJACBOOVVJXEOT-CYBMUJFWSA-N 0 0 377.366 3.274 50 0 GGAARN COc1cccc(C(=O)NC[C@H]2CN(c3cccc(Cl)c3)C(=O)O2)c1OC ZINC000009072856 209247807 /nfs/dbraw/zinc/24/78/07/209247807.db2.gz UOGSIQQDWLERJZ-AWEZNQCLSA-N 0 0 390.823 3.112 50 0 GGAARN COc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3cc(C)n(C)n3)sc2c1 ZINC000009122276 209247868 /nfs/dbraw/zinc/24/78/68/209247868.db2.gz HYIIWVUCGRNIJL-AWEZNQCLSA-N 0 0 386.477 3.173 50 0 GGAARN CCOc1ccccc1NC(=O)NC[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000009039278 209247763 /nfs/dbraw/zinc/24/77/63/209247763.db2.gz CZHKQRHHHAHNTL-HNNXBMFYSA-N 0 0 383.448 3.269 50 0 GGAARN COc1ccc(CNC(=O)NC[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000009040321 209247623 /nfs/dbraw/zinc/24/76/23/209247623.db2.gz OUQBLMJWGKNERE-OAHLLOKOSA-N 0 0 387.867 3.201 50 0 GGAARN Cc1ccc(N2C[C@H](CNS(=O)(=O)c3c(C)cc(C)cc3C)CC2=O)cc1 ZINC000009036979 209247025 /nfs/dbraw/zinc/24/70/25/209247025.db2.gz PDUJEGMVADEBKU-SFHVURJKSA-N 0 0 386.517 3.252 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](OC)c1ccccc1Cl ZINC000158508001 209246678 /nfs/dbraw/zinc/24/66/78/209246678.db2.gz WPBMCDSUBDRXGE-MRXNPFEDSA-N 0 0 397.258 3.444 50 0 GGAARN O=C1C[C@@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CN1c1ccccc1 ZINC000009035457 209245937 /nfs/dbraw/zinc/24/59/37/209245937.db2.gz SIANMYOGSCOCPJ-ZDUSSCGKSA-N 0 0 398.406 3.037 50 0 GGAARN COc1ccccc1OCC(=O)Nc1ccc2c(c1)CN(C(=O)C(C)C)CC2 ZINC000009036145 209246075 /nfs/dbraw/zinc/24/60/75/209246075.db2.gz OOFCIUVGAKHCHV-UHFFFAOYSA-N 0 0 382.460 3.253 50 0 GGAARN COCCN1COc2ccc3c(=O)c(-c4ccc(OC)c(OC)c4)coc3c2C1 ZINC000013731348 209234257 /nfs/dbraw/zinc/23/42/57/209234257.db2.gz ALHNYJQBZYRHBJ-UHFFFAOYSA-N 0 0 397.427 3.276 50 0 biogenic GGAARN CCOC(=O)N1CCN(Cc2cc(=O)oc3cc(C)c(Cl)c(C)c23)CC1 ZINC000020503037 209234059 /nfs/dbraw/zinc/23/40/59/209234059.db2.gz VGHUPFQUNFDRSS-UHFFFAOYSA-N 0 0 378.856 3.337 50 0 GGAARN COc1cccc2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)oc21 ZINC000013729879 209235398 /nfs/dbraw/zinc/23/53/98/209235398.db2.gz LCKRSGPFDQHIOQ-UHFFFAOYSA-N 0 0 394.427 3.128 50 0 GGAARN COc1ccc(-c2cc3ccc(OCCN4CCOCC4)cc3oc2=O)cc1 ZINC000020588543 209235461 /nfs/dbraw/zinc/23/54/61/209235461.db2.gz GAQQAJHLBZKCOF-UHFFFAOYSA-N 0 0 381.428 3.180 50 0 GGAARN COc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC ZINC000020111780 209234907 /nfs/dbraw/zinc/23/49/07/209234907.db2.gz NOESGCLMTZTZJR-HNNXBMFYSA-N 0 0 399.443 3.243 50 0 biogenic GGAARN COc1ccc(-c2c(C)oc3cc(OS(C)(=O)=O)ccc3c2=O)cc1OC ZINC000002107426 209228563 /nfs/dbraw/zinc/22/85/63/209228563.db2.gz ZETKHDURKRPKMN-UHFFFAOYSA-N 0 0 390.413 3.124 50 0 biogenic GGAARN COC(=O)[C@H](C)Oc1ccc2c(c1)occ(-c1ccc(OC)c(OC)c1)c2=O ZINC000002155465 209228687 /nfs/dbraw/zinc/22/86/87/209228687.db2.gz QIWKFKBQESJCDF-LBPRGKRZSA-N 0 0 384.384 3.418 50 0 biogenic GGAARN O=C(Nc1ccc(F)cc1)N1CCc2nn(Cc3ccccc3)c(=O)cc2C1 ZINC000263619271 209227950 /nfs/dbraw/zinc/22/79/50/209227950.db2.gz XVSKFUUDZUTZCQ-UHFFFAOYSA-N 0 0 378.407 3.021 50 0 GGAARN COC(=O)[C@@H](C)Oc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000000630424 209227823 /nfs/dbraw/zinc/22/78/23/209227823.db2.gz SRMAWBNJPJCWAY-GFCCVEGCSA-N 0 0 382.368 3.172 50 0 biogenic GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc5c(c4)CCC5)c3CO2)cc1 ZINC000263619174 209227798 /nfs/dbraw/zinc/22/77/98/209227798.db2.gz XIIJCUXTTAFZBT-FQEVSTJZSA-N 0 0 390.443 3.299 50 0 GGAARN CCc1cc2c(cc1OCC(=O)OC)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000000630481 209227394 /nfs/dbraw/zinc/22/73/94/209227394.db2.gz LRGWVWPKELVFPV-UHFFFAOYSA-N 0 0 396.395 3.345 50 0 biogenic GGAARN CCOc1ccccc1NC(=O)c1nnn2c1CO[C@@H](c1ccc(OC)cc1)C2 ZINC000263619217 209227079 /nfs/dbraw/zinc/22/70/79/209227079.db2.gz XMVZYOKLMCJNDC-LJQANCHMSA-N 0 0 394.431 3.209 50 0 GGAARN COc1ccc(OCC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000263619192 209226980 /nfs/dbraw/zinc/22/69/80/209226980.db2.gz XKMXZXVQCLVVAH-GOSISDBHSA-N 0 0 379.416 3.488 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc5c(c4)CCC5)c3CO2)cc1 ZINC000263619175 209226785 /nfs/dbraw/zinc/22/67/85/209226785.db2.gz XIIJCUXTTAFZBT-HXUWFJFHSA-N 0 0 390.443 3.299 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(F)c(C)c4)c3CO2)cc1 ZINC000263615625 209226095 /nfs/dbraw/zinc/22/60/95/209226095.db2.gz DHWQKOYWSFGONV-GOSISDBHSA-N 0 0 382.395 3.258 50 0 GGAARN CCOc1ccccc1NC(=O)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 ZINC000263617333 209226156 /nfs/dbraw/zinc/22/61/56/209226156.db2.gz NFTDKIHLPJTKJQ-SFHVURJKSA-N 0 0 382.395 3.340 50 0 GGAARN O=C(NCc1ccc(F)cc1)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 ZINC000263616410 209226167 /nfs/dbraw/zinc/22/61/67/209226167.db2.gz INECWVBADCMTNP-KRWDZBQOSA-N 0 0 386.814 3.272 50 0 GGAARN O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1ccc(Cl)cc1 ZINC000263616591 209225957 /nfs/dbraw/zinc/22/59/57/209225957.db2.gz JORCJXPBABFCLY-UHFFFAOYSA-N 0 0 383.810 3.496 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)NCCC4=CCCCC4)c3CO2)cc1 ZINC000263617391 209225999 /nfs/dbraw/zinc/22/59/99/209225999.db2.gz NOEVJEOJYKTGBT-IBGZPJMESA-N 0 0 382.464 3.179 50 0 GGAARN COc1ccc(-c2nn3ccn(Cc4cccc(C)c4)c(=O)c3c2CO)cc1 ZINC000263615389 209226057 /nfs/dbraw/zinc/22/60/57/209226057.db2.gz CCZDNDVSTUWVJQ-UHFFFAOYSA-N 0 0 375.428 3.021 50 0 GGAARN CCOc1ccc(NC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)cc1 ZINC000263616555 209225628 /nfs/dbraw/zinc/22/56/28/209225628.db2.gz JKLWNSDGXGOLRT-GOSISDBHSA-N 0 0 382.395 3.340 50 0 GGAARN CCc1ccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)cc1 ZINC000263617703 209225421 /nfs/dbraw/zinc/22/54/21/209225421.db2.gz PFCGIISNZUWEKV-LJQANCHMSA-N 0 0 380.423 3.181 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(C)c(C)c4)c3CO2)cc1 ZINC000263616151 209225587 /nfs/dbraw/zinc/22/55/87/209225587.db2.gz HJLLQSJHYSWZRQ-LJQANCHMSA-N 0 0 378.432 3.427 50 0 GGAARN CC(C)[C@H](C(=O)Nc1cccc(N2CCCCS2(=O)=O)c1)n1cccc1 ZINC000263588903 209225198 /nfs/dbraw/zinc/22/51/98/209225198.db2.gz ZPWLSLNZCGAGKI-GOSISDBHSA-N 0 0 375.494 3.254 50 0 GGAARN COc1ccc(CCn2ccn3nc(-c4ccc(C)cc4)c(CO)c3c2=O)cc1 ZINC000263615922 209225223 /nfs/dbraw/zinc/22/52/23/209225223.db2.gz FZOXAMVTFAXGGZ-UHFFFAOYSA-N 0 0 389.455 3.215 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)NCc4ccc(Cl)cc4)c3CO2)cc1 ZINC000263617746 209225325 /nfs/dbraw/zinc/22/53/25/209225325.db2.gz PKVLFWHKUWNKRM-GOSISDBHSA-N 0 0 398.850 3.142 50 0 GGAARN COc1ccc(CN[C@H]2CNC(=O)c3cc(-c4ccc(C)cc4C)nn32)cc1 ZINC000263617596 209225023 /nfs/dbraw/zinc/22/50/23/209225023.db2.gz OQRLZDGUTUPIER-OAQYLSRUSA-N 0 0 376.460 3.207 50 0 GGAARN CCC(CC)c1nc(CN2C3=C(C(=O)OC3)[C@H](c3ccccc3)NC2=O)no1 ZINC000263616515 209225048 /nfs/dbraw/zinc/22/50/48/209225048.db2.gz JDSHGEJXZGHAGV-KRWDZBQOSA-N 0 0 382.420 3.051 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)NCc4cccc(Cl)c4)c3CO2)cc1 ZINC000263618278 209225157 /nfs/dbraw/zinc/22/51/57/209225157.db2.gz SAUPVKMCUHAHNO-GOSISDBHSA-N 0 0 398.850 3.142 50 0 GGAARN Cc1ccc(-c2nn3ccn(CCOc4ccc(F)cc4)c(=O)c3c2CO)cc1 ZINC000263618222 209225874 /nfs/dbraw/zinc/22/58/74/209225874.db2.gz RUGPBTIDQRWKHU-UHFFFAOYSA-N 0 0 393.418 3.182 50 0 GGAARN O=C(NCc1ccc(Cl)cc1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 ZINC000263617127 209225895 /nfs/dbraw/zinc/22/58/95/209225895.db2.gz MEBPEVAJFQDNLQ-QGZVFWFLSA-N 0 0 386.814 3.272 50 0 GGAARN CCOc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4ccccc4)ccn3n2)cc1 ZINC000263618234 209225926 /nfs/dbraw/zinc/22/59/26/209225926.db2.gz RVSLUKJDNVGHRM-OAQYLSRUSA-N 0 0 375.428 3.295 50 0 GGAARN CSCC[C@H](C(=O)NCCCCCc1nnc2ccccn21)n1cccc1 ZINC000263587866 209224689 /nfs/dbraw/zinc/22/46/89/209224689.db2.gz MBVMSTPCGVHEEI-QGZVFWFLSA-N 0 0 385.537 3.354 50 0 GGAARN COCCn1ccc2c1cccc2OCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 ZINC000263588075 209224474 /nfs/dbraw/zinc/22/44/74/209224474.db2.gz OTYQQXQPEMLGKA-HNNXBMFYSA-N 0 0 392.459 3.420 50 0 GGAARN COC(=O)c1cn([C@@H]2CCCc3c4cc(F)ccc4[nH]c32)cc2c(=O)[nH]nc1-2 ZINC000263588004 209224583 /nfs/dbraw/zinc/22/45/83/209224583.db2.gz NVSZWCVOFSWIOQ-MRXNPFEDSA-N 0 0 380.379 3.009 50 0 GGAARN O=C(C[C@@H](c1ccsc1)n1cccc1)NCCn1cnc2ccccc2c1=O ZINC000263587903 209224254 /nfs/dbraw/zinc/22/42/54/209224254.db2.gz MQFSTOXLMBVLRD-IBGZPJMESA-N 0 0 392.484 3.055 50 0 GGAARN COC(=O)c1cn(CC[C@@H](c2ccco2)c2ccc(F)cc2)cc2c(=O)[nH]nc1-2 ZINC000263587324 209224292 /nfs/dbraw/zinc/22/42/92/209224292.db2.gz FOWXYTSTPZFYKJ-OAHLLOKOSA-N 0 0 395.390 3.417 50 0 GGAARN O=C(C[C@@H](c1ccsc1)n1cccc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000263587804 209224347 /nfs/dbraw/zinc/22/43/47/209224347.db2.gz LLSOLEWNXXGJGT-ZDUSSCGKSA-N 0 0 395.410 3.182 50 0 GGAARN O=C(C[C@H](c1cccc2ccccc21)n1cccc1)NCCN1CCOCC1 ZINC000263588197 209224383 /nfs/dbraw/zinc/22/43/83/209224383.db2.gz QIALNVBSFIQLKT-JOCHJYFZSA-N 0 0 377.488 3.069 50 0 GGAARN Cn1ccnc1[C@H](NC(=O)CC1(n2cccc2)CCOCC1)c1ccccc1 ZINC000263588353 209224395 /nfs/dbraw/zinc/22/43/95/209224395.db2.gz SELJDQFNIFKVPC-HXUWFJFHSA-N 0 0 378.476 3.023 50 0 GGAARN O=C(CC1(n2cccc2)CCCCC1)N1CCN(CCc2ccncc2)CC1 ZINC000263588143 209224104 /nfs/dbraw/zinc/22/41/04/209224104.db2.gz POZFWFPOJHKZLY-UHFFFAOYSA-N 0 0 380.536 3.320 50 0 GGAARN COC(=O)c1cn([C@H]2CCCc3c4cc(F)ccc4[nH]c32)cc2c(=O)[nH]nc1-2 ZINC000263588003 209223733 /nfs/dbraw/zinc/22/37/33/209223733.db2.gz NVSZWCVOFSWIOQ-INIZCTEOSA-N 0 0 380.379 3.009 50 0 GGAARN COC(=O)c1cn(CC[C@H](c2ccco2)c2ccc(F)cc2)cc2c(=O)[nH]nc1-2 ZINC000263587323 209223900 /nfs/dbraw/zinc/22/39/00/209223900.db2.gz FOWXYTSTPZFYKJ-HNNXBMFYSA-N 0 0 395.390 3.417 50 0 GGAARN COC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1cc2cc(OC)ccc2[nH]c1=O ZINC000253623989 209220430 /nfs/dbraw/zinc/22/04/30/209220430.db2.gz XWFOWJDTRUHDSO-ZDUSSCGKSA-N 0 0 397.383 3.078 50 0 biogenic GGAARN COC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1cc2ccc(OC)cc2[nH]c1=O ZINC000253623619 209220452 /nfs/dbraw/zinc/22/04/52/209220452.db2.gz BMZSJRSCMYPAAQ-CYBMUJFWSA-N 0 0 397.383 3.078 50 0 biogenic GGAARN O=C(NCCC1=CCCCC1)C(=O)NCc1ccc([C@H](O)c2ccco2)s1 ZINC000253407832 209219782 /nfs/dbraw/zinc/21/97/82/209219782.db2.gz WULXJGBKMCRXSI-GOSISDBHSA-N 0 0 388.489 3.046 50 0 GGAARN CC(C)Sc1ccc(CC(=O)NCc2cc(-c3cnccn3)nn2C)cc1 ZINC000253471319 209219817 /nfs/dbraw/zinc/21/98/17/209219817.db2.gz BUHIUQFRXAGURI-UHFFFAOYSA-N 0 0 381.505 3.237 50 0 GGAARN O=C(COc1ccc(F)cc1)NC[C@@](O)(c1ccsc1)c1cccs1 ZINC000253408841 209219886 /nfs/dbraw/zinc/21/98/86/209219886.db2.gz YUKPKKBMJCTODP-GOSISDBHSA-N 0 0 377.462 3.380 50 0 GGAARN Cc1cc(C)c(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2ccco2)cc1C ZINC000253472796 209219572 /nfs/dbraw/zinc/21/95/72/209219572.db2.gz PKBCDQMVLAVCNH-LJQANCHMSA-N 0 0 391.514 3.481 50 0 GGAARN COc1ccc(NC(=O)CCN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1 ZINC000253412553 209219384 /nfs/dbraw/zinc/21/93/84/209219384.db2.gz RIXVKUYBEYLLII-UHFFFAOYSA-N 0 0 396.443 3.097 50 0 biogenic GGAARN CO[C@H](CNS(=O)(=O)c1ccc(-n2cccn2)cc1)c1cc2ccccc2o1 ZINC000253471138 209219105 /nfs/dbraw/zinc/21/91/05/209219105.db2.gz BHRQDQGLVSOWEO-HXUWFJFHSA-N 0 0 397.456 3.285 50 0 GGAARN COc1ccc(/C=C/C(=O)NCCn2cc(-c3ccccc3)cn2)cc1OC ZINC000253473450 209219033 /nfs/dbraw/zinc/21/90/33/209219033.db2.gz UYFBZTVTRJZFPQ-PKNBQFBNSA-N 0 0 377.444 3.397 50 0 GGAARN Cn1nc(-c2cccs2)cc1C(=O)N1CC[C@@H](c2noc(-c3ccco3)n2)C1 ZINC000253473206 209218762 /nfs/dbraw/zinc/21/87/62/209218762.db2.gz SPNOJCHZOJOJBP-GFCCVEGCSA-N 0 0 395.444 3.421 50 0 GGAARN COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1oc2ccccc2c(=O)c1O ZINC000253412519 209218799 /nfs/dbraw/zinc/21/87/99/209218799.db2.gz RGCRGNIEZGVGQE-AWEZNQCLSA-N 0 0 384.384 3.211 50 0 biogenic GGAARN COc1ccccc1CCC(=O)NCc1nnc2ccc(-c3ccsc3)nn21 ZINC000253473227 209218640 /nfs/dbraw/zinc/21/86/40/209218640.db2.gz STORJQOQDSQRCZ-UHFFFAOYSA-N 0 0 393.472 3.110 50 0 GGAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2C=Cc3cc(C)ccc3N21 ZINC000245380949 209218236 /nfs/dbraw/zinc/21/82/36/209218236.db2.gz WIXZKTFRHYZACG-XRXFAXGQSA-N 0 0 378.472 3.102 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)cc1 ZINC000253402477 209217925 /nfs/dbraw/zinc/21/79/25/209217925.db2.gz OKKREVOFMLKOOG-HNNXBMFYSA-N 0 0 390.823 3.332 50 0 GGAARN CC(=O)Nc1cccc(C(=O)N2C[C@H](c3nc(C)no3)[C@H](c3ccccc3)C2)c1 ZINC000253395822 209216903 /nfs/dbraw/zinc/21/69/03/209216903.db2.gz CPEHIAXUQPWPDS-PMACEKPBSA-N 0 0 390.443 3.360 50 0 GGAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@@H]2C=Cc3cc(C)ccc3N21 ZINC000245380948 209216654 /nfs/dbraw/zinc/21/66/54/209216654.db2.gz WIXZKTFRHYZACG-UWHLTILDSA-N 0 0 378.472 3.102 50 0 GGAARN CCOC(=O)[C@]12C(=O)OC(C)(C)[C@H]1[C@]2(C)C(=O)c1ccc(Br)cc1 ZINC000244584422 209216504 /nfs/dbraw/zinc/21/65/04/209216504.db2.gz CYZZCDDXUJCYGP-KKXDTOCCSA-N 0 0 395.249 3.153 50 0 GGAARN O=C(NCCn1ccc2ccccc21)c1cnc(O[C@H]2CCOC2)c(Cl)c1 ZINC000253400065 209216485 /nfs/dbraw/zinc/21/64/85/209216485.db2.gz KLHYLTNDHZDMNX-INIZCTEOSA-N 0 0 385.851 3.287 50 0 GGAARN Cc1cc(F)ccc1S(=O)(=O)NC[C@](O)(c1ccoc1)c1cccs1 ZINC000245053614 209215696 /nfs/dbraw/zinc/21/56/96/209215696.db2.gz PCWPMSHKKMYNRU-KRWDZBQOSA-N 0 0 381.450 3.003 50 0 GGAARN CO[C@H](CNS(=O)(=O)c1cccc2nsnc21)c1cc2ccccc2o1 ZINC000245053557 209215727 /nfs/dbraw/zinc/21/57/27/209215727.db2.gz OZXLJRUVAVPOPS-OAHLLOKOSA-N 0 0 389.458 3.104 50 0 GGAARN CCOC(=O)[C@H]1CCc2sc(NC(=O)c3ccnc(OCC4CC4)c3)nc21 ZINC000239611741 209215528 /nfs/dbraw/zinc/21/55/28/209215528.db2.gz FCYCHXDLHHSHBN-ZDUSSCGKSA-N 0 0 387.461 3.172 50 0 GGAARN O=C(CCc1nc2ccccc2[nH]1)N1C[C@@H](c2ncon2)[C@@H](c2ccccc2)C1 ZINC000245039173 209215555 /nfs/dbraw/zinc/21/55/55/209215555.db2.gz OIYGJPNCAFCGHD-IAGOWNOFSA-N 0 0 387.443 3.288 50 0 GGAARN Cc1cccc(N2CCN(C(=O)c3ccc(OC[C@H]4CCCO4)nc3)CC2)c1C ZINC000240122338 209215347 /nfs/dbraw/zinc/21/53/47/209215347.db2.gz VWDUAYMHWUIDOG-HXUWFJFHSA-N 0 0 395.503 3.219 50 0 GGAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000240067776 209214493 /nfs/dbraw/zinc/21/44/93/209214493.db2.gz SAXVACNKXUTCPM-MRXNPFEDSA-N 0 0 391.851 3.118 50 0 GGAARN O=C(NC[C@H](c1ccco1)N1CCSCC1)c1ccc(C(F)(F)F)nc1 ZINC000245174515 209214498 /nfs/dbraw/zinc/21/44/98/209214498.db2.gz YQKGKSKNEIZOOQ-CYBMUJFWSA-N 0 0 385.411 3.213 50 0 GGAARN O=C(NCc1ccnc(-c2cccs2)c1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000239612061 209214600 /nfs/dbraw/zinc/21/46/00/209214600.db2.gz FIZWBIJFJSHGKS-INIZCTEOSA-N 0 0 377.469 3.479 50 0 GGAARN O=c1cc(CN2CCN(c3cccc(Cl)c3)CC2)c2cc3c(cc2o1)OCO3 ZINC000054220033 209213850 /nfs/dbraw/zinc/21/38/50/209213850.db2.gz LCCMSZFWSLUMSQ-UHFFFAOYSA-N 0 0 398.846 3.497 50 0 biogenic GGAARN CNC(=O)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)cc1 ZINC000359977955 209209925 /nfs/dbraw/zinc/20/99/25/209209925.db2.gz XXXWHEUSCBSROH-CQSZACIVSA-N 0 0 386.883 3.348 50 0 GGAARN CNC(=O)c1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1 ZINC000359977954 209209353 /nfs/dbraw/zinc/20/93/53/209209353.db2.gz XXXWHEUSCBSROH-AWEZNQCLSA-N 0 0 386.883 3.348 50 0 GGAARN CC(C)(C)c1csc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)n1 ZINC000049543763 209195883 /nfs/dbraw/zinc/19/58/83/209195883.db2.gz FJGPLFLYWRMESO-MJVIPROJSA-N 0 0 382.555 3.105 50 0 biogenic GGAARN C[C@H]1CCCN(C(=O)C2CCN(Cc3nc(Cc4ccccc4)no3)CC2)C1 ZINC000040120820 209195908 /nfs/dbraw/zinc/19/59/08/209195908.db2.gz KTNLIHHCRINKHN-KRWDZBQOSA-N 0 0 382.508 3.131 50 0 GGAARN COc1cc(-c2coc3cc(OC)c(OC)cc3c2=O)c(OC)c2c1OCO2 ZINC000028817995 209192452 /nfs/dbraw/zinc/19/24/52/209192452.db2.gz GUSKXWBKZXULSP-UHFFFAOYSA-N 0 0 386.356 3.223 50 0 GGAARN C/C=C(\C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc32)OC(C)(C)[C@H]1OC(C)=O ZINC000000898335 209190231 /nfs/dbraw/zinc/19/02/31/209190231.db2.gz LYUZYPKZQDYMEE-HWCZVSPCSA-N 0 0 386.400 3.446 50 0 GGAARN O=C(CS(=O)(=O)c1c[nH]c2ccccc21)Nc1ccc(Br)cc1 ZINC000002722168 209189094 /nfs/dbraw/zinc/18/90/94/209189094.db2.gz ISTXTTHXTAFVHQ-UHFFFAOYSA-N 0 0 393.262 3.343 50 0 GGAARN CCc1ccc(NC(=O)[C@H](NC(=O)[C@H]2Cc3ccccc3CN2)[C@@H](C)CC)cc1 ZINC000229691324 209186687 /nfs/dbraw/zinc/18/66/87/209186687.db2.gz SEICFKQJPDFDPF-KNXBSLHKSA-N 0 0 393.531 3.433 50 0 GGAARN OC(c1ccccc1)=C1[C@H](c2ccc(F)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000170591595 209185186 /nfs/dbraw/zinc/18/51/86/209185186.db2.gz FWOLYZZASPXYOH-ZQIUZPCESA-N 0 0 398.381 3.095 50 0 GGAARN Cc1ccc2nc(CNc3cc(Cl)ccc3N3CCOCC3)cc(=O)n2c1 ZINC000015322008 209182464 /nfs/dbraw/zinc/18/24/64/209182464.db2.gz YDPZHYXCKMCZEX-UHFFFAOYSA-N 0 0 384.867 3.105 50 0 GGAARN CC[C@@H](C)[C@H](C(=O)NCc1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000098038540 212075509 /nfs/dbraw/zinc/07/55/09/212075509.db2.gz NCNBHYPVQQHXRH-QVKFZJNVSA-N 0 0 396.487 3.391 50 0 GGAARN COC(=O)c1ccc([C@@H]2SC[C@@H]3C(=O)N(c4ccccc4)C(=S)N32)cc1 ZINC000006169711 212070286 /nfs/dbraw/zinc/07/02/86/212070286.db2.gz NWBJBWIFIWLJBG-WBVHZDCISA-N 0 0 384.482 3.221 50 0 GGAARN COc1ccc2[nH]c(SCc3nc(N)nc(Nc4ccccc4)n3)nc2c1 ZINC000005270513 212065382 /nfs/dbraw/zinc/06/53/82/212065382.db2.gz CZQOXQOWXLVXEQ-UHFFFAOYSA-N 0 0 379.449 3.375 50 0 GGAARN CC1(C)OC(=O)C2(Cc3cc(C(F)(F)F)ccc3N3CCCC[C@H]32)C(=O)O1 ZINC000004915844 212064512 /nfs/dbraw/zinc/06/45/12/212064512.db2.gz OIFVIELMEXIRGF-AWEZNQCLSA-N 0 0 383.366 3.443 50 0 GGAARN O=C1N[C@H](c2ccccc2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)C(F)F)N1 ZINC000005242265 212065559 /nfs/dbraw/zinc/06/55/59/212065559.db2.gz YCHBDOCDHQISDQ-KSMMKXTCSA-N 0 0 396.340 3.129 50 0 GGAARN O=C([O-])[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000091830217 212060918 /nfs/dbraw/zinc/06/09/18/212060918.db2.gz VUXILQZCCHTWMG-LEWJYISDSA-N 0 0 378.472 3.091 50 0 GGAARN CC(C)n1c2ccccc2c2nnc(SCC(=O)Nc3ncccn3)nc21 ZINC000001437073 212060604 /nfs/dbraw/zinc/06/06/04/212060604.db2.gz BVTSUFXBXAUYCX-UHFFFAOYSA-N 0 0 379.449 3.081 50 0 GGAARN CCOC(=O)c1csc(-n2nc(-c3ccc(Cl)cc3)cc2NC=O)n1 ZINC000001404978 212060976 /nfs/dbraw/zinc/06/09/76/212060976.db2.gz RCXDJEDHBYVISJ-UHFFFAOYSA-N 0 0 376.825 3.394 50 0 GGAARN O=c1c(-c2cccc3ccccc32)[n+]([O-])c2ccccc2n1OCc1ccccn1 ZINC000001405890 212060401 /nfs/dbraw/zinc/06/04/01/212060401.db2.gz IYXSILRAYTZVNO-UHFFFAOYSA-N 0 0 395.418 3.479 50 0 GGAARN COC(=O)c1ccc([C@@H]2SC[C@@H]3C(=O)N(C4CCCCC4)C(=S)N32)cc1 ZINC000001443764 212060472 /nfs/dbraw/zinc/06/04/72/212060472.db2.gz CPWMGKMZPRAEEY-WBVHZDCISA-N 0 0 390.530 3.349 50 0 GGAARN CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)c(OC)c2)NC3=O)cc1 ZINC000001404772 212060124 /nfs/dbraw/zinc/06/01/24/212060124.db2.gz OFZXQHNRMBSSFG-SFHVURJKSA-N 0 0 379.416 3.325 50 0 GGAARN COc1cc2c3c(c1)C(CSc1nnc(C)s1)=CC(C)(C)N3C(=O)C2=O ZINC000253495667 212059646 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COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1cccc(C(C)=O)c1)CC2 ZINC000004090342 211531836 /nfs/dbraw/zinc/53/18/36/211531836.db2.gz IABIQIIFCBYRRU-AWEZNQCLSA-N 0 0 382.460 3.464 50 0 biogenic GGAARN COCCCNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1 ZINC000004089652 211531989 /nfs/dbraw/zinc/53/19/89/211531989.db2.gz WDVXLPIQEIFJNC-UHFFFAOYSA-N 0 0 383.444 3.422 50 0 biogenic GGAARN COc1ccccc1CNC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C ZINC000004081688 211531193 /nfs/dbraw/zinc/53/11/93/211531193.db2.gz DEXONAUBFKGILK-YLJYHZDGSA-N 0 0 382.485 3.360 50 0 biogenic GGAARN CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000004081616 211530943 /nfs/dbraw/zinc/53/09/43/211530943.db2.gz LJYUTWNQDXLTBH-YLJYHZDGSA-N 0 0 396.468 3.080 50 0 biogenic GGAARN O=C(Oc1ccc2ccc(=O)oc2c1)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004086478 211530077 /nfs/dbraw/zinc/53/00/77/211530077.db2.gz IGHIVZFOKJAROI-GOSISDBHSA-N 0 0 393.395 3.500 50 0 biogenic GGAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(C2CCC(C)CC2)C(=O)[C@]31C ZINC000004073228 211529372 /nfs/dbraw/zinc/52/93/72/211529372.db2.gz OIAXDNGPCRHESW-ITWBZBEWSA-N 0 0 395.503 3.197 50 0 biogenic GGAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCC(C)C)C(C)(C)S[C@@H]21 ZINC000004073966 211528905 /nfs/dbraw/zinc/52/89/05/211528905.db2.gz UVYKGFATYAUURN-APWZRJJASA-N 0 0 392.521 3.215 50 0 biogenic GGAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(C2CCCCCC2)C(=O)[C@]31C ZINC000004073667 211528731 /nfs/dbraw/zinc/52/87/31/211528731.db2.gz KMXKQPAMENHLAA-QHCPKHFHSA-N 0 0 395.503 3.341 50 0 biogenic GGAARN Cc1ccc(C)c2[nH]c(=O)c(CCNC(=S)NCCc3ccccc3)cc12 ZINC000004033714 211527800 /nfs/dbraw/zinc/52/78/00/211527800.db2.gz YOCJKVUDTURVDY-UHFFFAOYSA-N 0 0 379.529 3.394 50 0 GGAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2F)C[S@@](=O)C3)cc1 ZINC000002724975 211518582 /nfs/dbraw/zinc/51/85/82/211518582.db2.gz HPYMACCBICYDDN-MHZLTWQESA-N 0 0 385.420 3.035 50 0 GGAARN Cc1ccc(C(C)C)c(OCC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c1 ZINC000004029334 211526788 /nfs/dbraw/zinc/52/67/88/211526788.db2.gz QRIPMUGLUGCKLD-ZWKOTPCHSA-N 0 0 380.488 3.305 50 0 biogenic GGAARN CCOC(=O)C1=C(N)Oc2c3cccc(C)c3[nH]c(=O)c2[C@@H]1c1ccccc1 ZINC000003984387 211527048 /nfs/dbraw/zinc/52/70/48/211527048.db2.gz AIUJDWKWJUGTIA-HNNXBMFYSA-N 0 0 376.412 3.094 50 0 biogenic GGAARN CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccc(F)cc1 ZINC000004036087 211526706 /nfs/dbraw/zinc/52/67/06/211526706.db2.gz RZKWXHKROOKFRG-GOSISDBHSA-N 0 0 389.452 3.285 50 0 GGAARN C[C@H]1CCc2c(sc(NC(=O)c3cc(=O)c4ccccc4o3)c2C(N)=O)C1 ZINC000002488321 211514498 /nfs/dbraw/zinc/51/44/98/211514498.db2.gz HNUHWFJMVLTSGF-JTQLQIEISA-N 0 0 382.441 3.331 50 0 GGAARN COc1ccccc1Oc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 ZINC000002133299 211513210 /nfs/dbraw/zinc/51/32/10/211513210.db2.gz WKKKQFSUJNOQTB-UHFFFAOYSA-N 0 0 380.400 3.285 50 0 biogenic GGAARN COc1ccc(CCn2cnc3c4cc(OC)c(OC)cc4[nH]c3c2=O)cc1 ZINC000002114875 211513327 /nfs/dbraw/zinc/51/33/27/211513327.db2.gz KMBDJPBXEDRGKA-UHFFFAOYSA-N 0 0 379.416 3.146 50 0 biogenic GGAARN CCOCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000001745355 211510410 /nfs/dbraw/zinc/51/04/10/211510410.db2.gz DXZIFEZKIZPFFA-UHFFFAOYSA-N 0 0 381.384 3.239 50 0 biogenic GGAARN CN1C2=C(C(=O)N(c3ccc(Br)cc3)C2)[C@@H](c2ccccc2)NC1=O ZINC000001437129 211510228 /nfs/dbraw/zinc/51/02/28/211510228.db2.gz KQWKKORNWQCGGY-QGZVFWFLSA-N 0 0 398.260 3.446 50 0 GGAARN CC[C@@H](C)OC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000001321096 211503738 /nfs/dbraw/zinc/50/37/38/211503738.db2.gz LPZYVJLSBLHTRJ-VXGBXAGGSA-N 0 0 377.510 3.346 50 0 GGAARN Cc1c(C(=O)OCC(C)C)sc2ncn([C@H](C)C(=O)OCC(C)C)c(=O)c12 ZINC000000958477 211499866 /nfs/dbraw/zinc/49/98/66/211499866.db2.gz FTTJLQKBSUNSCH-CYBMUJFWSA-N 0 0 394.493 3.339 50 0 GGAARN C/C(Cl)=C\CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1 ZINC000000850868 211493030 /nfs/dbraw/zinc/49/30/30/211493030.db2.gz SYQZOVNWDYZIGV-XYOKQWHBSA-N 0 0 390.896 3.015 50 0 GGAARN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000138548449 211491055 /nfs/dbraw/zinc/49/10/55/211491055.db2.gz HIAMCDCGYITHEU-IPMKNSEASA-N 0 0 381.863 3.184 50 0 GGAARN COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000000800824 211490304 /nfs/dbraw/zinc/49/03/04/211490304.db2.gz UZDMHGOSNZNYQV-SFHVURJKSA-N 0 0 392.502 3.090 50 0 GGAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@H](c1ccc(F)cc1)N1CCCN21 ZINC000136838014 211487421 /nfs/dbraw/zinc/48/74/21/211487421.db2.gz YMYCVMUCCUIHBP-OKZBNKHCSA-N 0 0 385.826 3.015 50 0 GGAARN O=C(NCC1CCCCC1)c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2 ZINC000169759893 211485263 /nfs/dbraw/zinc/48/52/63/211485263.db2.gz CKHBWIGXPQUICX-HXUWFJFHSA-N 0 0 383.448 3.193 50 0 GGAARN Cc1nc2ccccn2c1C(=O)Nc1ccc(CC(=O)NCC(F)(F)F)cc1 ZINC000049523939 211460978 /nfs/dbraw/zinc/46/09/78/211460978.db2.gz MORDTRKBJLXQMW-UHFFFAOYSA-N 0 0 390.365 3.116 50 0 GGAARN Cn1cnnc1SCCNC(=O)c1cccc(-n2ccc3ccccc32)c1 ZINC000049027530 211459275 /nfs/dbraw/zinc/45/92/75/211459275.db2.gz NEPLZWWEALBXRX-UHFFFAOYSA-N 0 0 377.473 3.281 50 0 GGAARN COC(=O)c1ccc(NC(=O)Cn2c3ccc(F)cc3c(=O)n2C(C)(C)C)cc1 ZINC000049007316 211455588 /nfs/dbraw/zinc/45/55/88/211455588.db2.gz YJHRWRWYUUQANR-UHFFFAOYSA-N 0 0 399.422 3.122 50 0 GGAARN Cn1c2ccccc2nc1CN1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 ZINC000049372108 211458723 /nfs/dbraw/zinc/45/87/23/211458723.db2.gz LLADJTBCQJNWSE-UHFFFAOYSA-N 0 0 399.498 3.322 50 0 GGAARN COCc1cc(=O)[nH]c2cc(NC(=O)/C=C\c3ccc4c(c3)OCO4)ccc12 ZINC000049031140 211458242 /nfs/dbraw/zinc/45/82/42/211458242.db2.gz RQBWDNIKAPMOMT-CLTKARDFSA-N 0 0 378.384 3.055 50 0 GGAARN O=C(CSc1nc2ccccc2s1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000049026532 211458044 /nfs/dbraw/zinc/45/80/44/211458044.db2.gz CACLKFLGMQOEMU-KGLIPLIRSA-N 0 0 397.525 3.196 50 0 GGAARN COc1ccccc1S(=O)(=O)N1CCC(COCc2ccccc2)CC1 ZINC000049028929 211458087 /nfs/dbraw/zinc/45/80/87/211458087.db2.gz RULRDIIIEUJSDK-UHFFFAOYSA-N 0 0 375.490 3.313 50 0 GGAARN CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)Nc3ccccc3F)o2)cc1 ZINC000049025996 211456923 /nfs/dbraw/zinc/45/69/23/211456923.db2.gz XAWUYFOQJPGALN-UHFFFAOYSA-N 0 0 390.396 3.313 50 0 GGAARN COc1nn(C)cc1C(=O)Nc1c2c(nn1-c1ccc(C)c(C)c1)CSC2 ZINC000042379352 211433478 /nfs/dbraw/zinc/43/34/78/211433478.db2.gz OXUCAUCGBOKYTH-UHFFFAOYSA-N 0 0 383.477 3.230 50 0 GGAARN CCOc1ccc(NC(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)cc1 ZINC000043979213 211450289 /nfs/dbraw/zinc/45/02/89/211450289.db2.gz ZOANTHPENAFRMO-UHFFFAOYSA-N 0 0 376.501 3.427 50 0 GGAARN Cc1ccc(NC(=O)Nc2ccc(CC(=O)N3CCC(O)CC3)cc2)cc1C ZINC000044037188 211450305 /nfs/dbraw/zinc/45/03/05/211450305.db2.gz IYALUFCFRQAAAV-UHFFFAOYSA-N 0 0 381.476 3.473 50 0 GGAARN C[C@@H](Oc1ccccc1)C(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000043983323 211449897 /nfs/dbraw/zinc/44/98/97/211449897.db2.gz MLWDTVAWOKWYAB-QGZVFWFLSA-N 0 0 382.460 3.481 50 0 GGAARN O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)c1cc(-c2ccco2)on1 ZINC000044006451 211448824 /nfs/dbraw/zinc/44/88/24/211448824.db2.gz NRGCXBTWLYCPDS-UHFFFAOYSA-N 0 0 397.406 3.356 50 0 GGAARN COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccco2)cc1 ZINC000102872625 211417811 /nfs/dbraw/zinc/41/78/11/211417811.db2.gz MXRIOGCURGXPQZ-AVRDEDQJSA-N 0 0 388.379 3.369 50 0 GGAARN CC(=O)N[C@@H]1c2cc(Cl)ccc2N(Cc2cc3c(cc2Cl)OCO3)C1=O ZINC000101408493 211399755 /nfs/dbraw/zinc/39/97/55/211399755.db2.gz IYKCXMHOHWRWCX-QGZVFWFLSA-N 0 0 393.226 3.446 50 0 GGAARN CCc1c(O)nc(SCC(=O)Nc2ccccc2)n(-c2ccccc2)c1=O ZINC000101670512 211402074 /nfs/dbraw/zinc/40/20/74/211402074.db2.gz NGYIWTGXNDLWMJ-UHFFFAOYSA-N 0 0 381.457 3.231 50 0 GGAARN CC(=O)N[C@@H]1c2cc(Br)ccc2N(CCOc2ccccc2)C1=O ZINC000101430962 211399871 /nfs/dbraw/zinc/39/98/71/211399871.db2.gz TVIDCBHPNYSAQG-QGZVFWFLSA-N 0 0 389.249 3.052 50 0 GGAARN O=C1[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000101361007 211399441 /nfs/dbraw/zinc/39/94/41/211399441.db2.gz LIJHUPDOOHISDH-ZFWWWQNUSA-N 0 0 378.281 3.137 50 0 GGAARN COc1ccc(Cl)cc1N1C(=O)[C@H]2ON=C(c3ccccc3Cl)C2=C1O ZINC000101360956 211398878 /nfs/dbraw/zinc/39/88/78/211398878.db2.gz MICKZCVJDPLQOA-HOCLYGCPSA-N 0 0 391.210 3.295 50 0 GGAARN O=C1[C@@H]2ON=C(c3ccc(F)cc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000101361008 211398781 /nfs/dbraw/zinc/39/87/81/211398781.db2.gz LIJHUPDOOHISDH-DZGCQCFKSA-N 0 0 378.281 3.137 50 0 GGAARN COc1ccc(CN2c3ccc(Br)cc3[C@H](NC(C)=O)C2=O)cc1 ZINC000101401066 211398122 /nfs/dbraw/zinc/39/81/22/211398122.db2.gz VFTISTRYROGQDV-KRWDZBQOSA-N 0 0 389.249 3.182 50 0 GGAARN O=C1[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000101359140 211397927 /nfs/dbraw/zinc/39/79/27/211397927.db2.gz DYYJQEBZCSKBGN-ZFWWWQNUSA-N 0 0 378.281 3.137 50 0 GGAARN O=c1c2c(nc3[nH]c(NCc4ccc(OCc5ccccc5)cc4)nn31)CCC2 ZINC000101211535 211397326 /nfs/dbraw/zinc/39/73/26/211397326.db2.gz OZWWGYRRNWYUFI-UHFFFAOYSA-N 0 0 387.443 3.097 50 0 GGAARN O=C(C1=C2C(O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2CCCN12)c1ccc(Cl)cc1 ZINC000101221873 211397189 /nfs/dbraw/zinc/39/71/89/211397189.db2.gz LSGCURXUUXADFZ-OKYOBFRVSA-N 0 0 394.858 3.175 50 0 GGAARN C[C@H](c1ccccc1)N1C(=O)[C@@H]2C(c3ccc(Br)cc3)=NO[C@@H]2C1=O ZINC000101301524 211395986 /nfs/dbraw/zinc/39/59/86/211395986.db2.gz NSILFTFYRVRNCJ-JGFGOQIWSA-N 0 0 399.244 3.298 50 0 GGAARN O=C1[C@H]2[C@H](c3ccc(F)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000101028539 211394095 /nfs/dbraw/zinc/39/40/95/211394095.db2.gz SSMKHCWBEYMLFR-BZSNNMDCSA-N 0 0 385.826 3.015 50 0 GGAARN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4c(C)cc(C)cc4C)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100780523 211393171 /nfs/dbraw/zinc/39/31/71/211393171.db2.gz NFRKPKLAMJLZRA-FCEUIQTBSA-N 0 0 389.499 3.456 50 0 GGAARN COc1ccc(C(=O)COc2ccccc2N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000100921119 211393179 /nfs/dbraw/zinc/39/31/79/211393179.db2.gz GVOKOSUBFDRCDI-QZTJIDSGSA-N 0 0 391.423 3.413 50 0 GGAARN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=Nc3nc(CCCO)nn32)cc1 ZINC000100806456 211392160 /nfs/dbraw/zinc/39/21/60/211392160.db2.gz CPUZAJJSSHYMDV-IBGZPJMESA-N 0 0 380.423 3.407 50 0 GGAARN O=C1CC(c2ccc(Cl)cc2)CC(=O)C1CS(=O)(=O)c1ccccc1 ZINC000100819333 211392025 /nfs/dbraw/zinc/39/20/25/211392025.db2.gz FSHIPBXJKASDDF-UHFFFAOYSA-N 0 0 376.861 3.446 50 0 GGAARN CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1)C(C(=O)OC)=C(C)N2 ZINC000100821696 211391793 /nfs/dbraw/zinc/39/17/93/211391793.db2.gz AKFQWIUBRSYWGK-CYBMUJFWSA-N 0 0 375.425 3.025 50 0 GGAARN Cc1ccnc2c(NC(=O)CCN3C(=O)[C@@H]4CC(Cl)=CC[C@@H]4C3=O)cccc12 ZINC000100698865 211389381 /nfs/dbraw/zinc/38/93/81/211389381.db2.gz IYMQULPWRJTYNH-JKSUJKDBSA-N 0 0 397.862 3.390 50 0 GGAARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000100561030 211389162 /nfs/dbraw/zinc/38/91/62/211389162.db2.gz RAXFLTMIHHGBFO-HOTGVXAUSA-N 0 0 385.441 3.134 50 0 GGAARN CCCOc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(C)=O)C2=O)cc1 ZINC000100531869 211389088 /nfs/dbraw/zinc/38/90/88/211389088.db2.gz OEMNOFQRWOBWIL-NRFANRHFSA-N 0 0 394.471 3.199 50 0 GGAARN COc1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)cc1 ZINC000100619322 211388778 /nfs/dbraw/zinc/38/87/78/211388778.db2.gz HAHYNVPFDHIPGT-IZVXFFJCSA-N 0 0 384.476 3.368 50 0 GGAARN COc1cc2c(cc1OC)C([O-])=C(C(=O)c1cc[n+](Cc3ccccc3)cc1)C2 ZINC000100471120 211387455 /nfs/dbraw/zinc/38/74/55/211387455.db2.gz ZNLMYKRSABSJFZ-HXUWFJFHSA-N 0 0 388.443 3.278 50 0 GGAARN O=C(CS[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)Nc1cccc(F)c1 ZINC000100313717 211386824 /nfs/dbraw/zinc/38/68/24/211386824.db2.gz RNAUCOXGKLPWTE-HNNXBMFYSA-N 0 0 392.839 3.483 50 0 GGAARN Cc1cc(C)cc(NC(=O)CS[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000100277546 211386354 /nfs/dbraw/zinc/38/63/54/211386354.db2.gz LEXRFYOAZVNXGM-KRWDZBQOSA-N 0 0 386.448 3.446 50 0 GGAARN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100166065 211384341 /nfs/dbraw/zinc/38/43/41/211384341.db2.gz RKFXOXGMNIRSCG-AABGKKOBSA-N 0 0 395.890 3.492 50 0 GGAARN CCOC(=O)c1ccc(N2C(=O)C[C@@H](n3c(C)nc4ccccc43)C2=O)cc1 ZINC000100144214 211384409 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211312969 /nfs/dbraw/zinc/31/29/69/211312969.db2.gz LAVLLXGJUXVKLG-CQSZACIVSA-N 0 0 383.481 3.324 50 0 GGAARN COc1ccc(NC(=O)N2CCN(Cc3ccc(C)cc3)C(=O)[C@@H]2C)c(F)c1 ZINC000096150563 211312585 /nfs/dbraw/zinc/31/25/85/211312585.db2.gz BQJUAHAYHNFHTH-HNNXBMFYSA-N 0 0 385.439 3.408 50 0 GGAARN O=C(Nc1cc(Cl)ccc1-n1cncn1)N1CCC[C@H](Cn2ccnc2)C1 ZINC000096152101 211312302 /nfs/dbraw/zinc/31/23/02/211312302.db2.gz MFZHJBYSBLTTNG-CQSZACIVSA-N 0 0 385.859 3.061 50 0 GGAARN CCc1ccc(-n2cnnc2)cc1NC(=O)NC[C@H](c1ccc(C)o1)N(C)C ZINC000096151841 211311961 /nfs/dbraw/zinc/31/19/61/211311961.db2.gz GFURWKCQDNQDIG-GOSISDBHSA-N 0 0 382.468 3.156 50 0 GGAARN CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2cc(C)ccc2Cl)CC1 ZINC000096153317 211311791 /nfs/dbraw/zinc/31/17/91/211311791.db2.gz XMVCEJCFKDGSHE-UHFFFAOYSA-N 0 0 389.931 3.341 50 0 GGAARN O=C(Nc1ccccc1SCc1ccccc1F)N1CCN(CCO)CC1 ZINC000096153409 211311572 /nfs/dbraw/zinc/31/15/72/211311572.db2.gz SFRALXUQOBPIPN-UHFFFAOYSA-N 0 0 389.496 3.260 50 0 GGAARN O=C(NCC1=CCCCC1)Nc1cc(C(=O)N2CCOCC2)ccc1Cl ZINC000096153066 211311482 /nfs/dbraw/zinc/31/14/82/211311482.db2.gz JYQVNGOKGOKZQK-UHFFFAOYSA-N 0 0 377.872 3.434 50 0 GGAARN O=C(NCC1(CN2CCOCC2)CC1)Nc1ccc(Oc2cccnc2)cc1 ZINC000096153563 211311306 /nfs/dbraw/zinc/31/13/06/211311306.db2.gz NBXVWTOTAINXIX-UHFFFAOYSA-N 0 0 382.464 3.108 50 0 GGAARN Cc1cc(NC(=O)N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)n(CC(C)C)n1 ZINC000096150505 211311334 /nfs/dbraw/zinc/31/13/34/211311334.db2.gz HUDPAPCYPDYIIU-MRXNPFEDSA-N 0 0 375.517 3.102 50 0 GGAARN CCN(Cc1noc(C)n1)C(=O)Nc1ccc(C(=O)NC(C)C)c(Cl)c1 ZINC000096150819 211311337 /nfs/dbraw/zinc/31/13/37/211311337.db2.gz CBXUJXNJDYEQOO-UHFFFAOYSA-N 0 0 379.848 3.224 50 0 GGAARN CSCc1nc(CCNC(=O)Nc2cnn(CC(F)(F)F)c2)cs1 ZINC000096150879 211310971 /nfs/dbraw/zinc/31/09/71/211310971.db2.gz SJRBODNFIWFAGJ-UHFFFAOYSA-N 0 0 379.433 3.129 50 0 GGAARN Cc1cc(C)n(CC2(CNC(=O)Nc3cccc(C(=O)NC(C)C)c3)CC2)n1 ZINC000096149202 211310114 /nfs/dbraw/zinc/31/01/14/211310114.db2.gz 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/nfs/dbraw/zinc/31/00/73/211310073.db2.gz KNWRVXMEBVYDGF-UHFFFAOYSA-N 0 0 378.263 3.338 50 0 GGAARN COc1nn(C)c(C)c1NC(=O)NCCc1c(C)[nH]c2c1cc(F)cc2F ZINC000096150183 211309815 /nfs/dbraw/zinc/30/98/15/211309815.db2.gz OBNIRIUXMRQWDN-UHFFFAOYSA-N 0 0 377.395 3.169 50 0 GGAARN COc1ccc(-n2nc(C3CCOCC3)nc2-c2ccc3n[nH]nc3c2)cc1 ZINC000096148475 211309584 /nfs/dbraw/zinc/30/95/84/211309584.db2.gz LPOUXQGLUKFTNB-UHFFFAOYSA-N 0 0 376.420 3.108 50 0 GGAARN CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc(O)c2)CCO1 ZINC000096230703 211321945 /nfs/dbraw/zinc/32/19/45/211321945.db2.gz NFVMPOCZCMJELM-BLLLJJGKSA-N 0 0 389.477 3.199 50 0 GGAARN O=C(N[C@@H]1CCCc2c3cc(F)ccc3[nH]c21)c1ccccc1-n1cnnn1 ZINC000096232645 211322000 /nfs/dbraw/zinc/32/20/00/211322000.db2.gz ZGPJLZBGQUUZAD-QGZVFWFLSA-N 0 0 376.395 3.090 50 0 GGAARN O=C1C[C@@H](c2ccc(OCCn3cccn3)cc2)c2c3nsnc3ccc2N1 ZINC000096231067 211322006 /nfs/dbraw/zinc/32/20/06/211322006.db2.gz YDEMPXJDSAVTLL-HNNXBMFYSA-N 0 0 391.456 3.441 50 0 GGAARN Cn1c(CCNC(=O)CC2(n3cccc3)CCSCC2)nc2ccccc21 ZINC000096231531 211322103 /nfs/dbraw/zinc/32/21/03/211322103.db2.gz SOEBHFHYBJIKAW-UHFFFAOYSA-N 0 0 382.533 3.346 50 0 GGAARN CSCC[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1nc2ccccc2[nH]1 ZINC000096232372 211321791 /nfs/dbraw/zinc/32/17/91/211321791.db2.gz SVLUPRUZOMGFAP-ZWKOTPCHSA-N 0 0 394.500 3.348 50 0 GGAARN CCOC(=O)c1sc(NC(=O)c2n[nH]c3c2COc2ccccc2-3)nc1C ZINC000096231162 211321895 /nfs/dbraw/zinc/32/18/95/211321895.db2.gz MKAIHNOSWIKORU-UHFFFAOYSA-N 0 0 384.417 3.163 50 0 GGAARN O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCCCCc1nc2ccccc2[nH]1 ZINC000096230730 211321916 /nfs/dbraw/zinc/32/19/16/211321916.db2.gz HUVYNNIKRWPOPO-IBGZPJMESA-N 0 0 392.459 3.182 50 0 GGAARN O=C(C[C@H]1Oc2ccccc2NC1=O)NCCCCCc1nc2ccccc2[nH]1 ZINC000096230729 211321484 /nfs/dbraw/zinc/32/14/84/211321484.db2.gz HUVYNNIKRWPOPO-LJQANCHMSA-N 0 0 392.459 3.182 50 0 GGAARN Cn1ccnc1COc1ccc([C@H]2CC(=O)Oc3ccc4nsnc4c32)cc1 ZINC000096232433 211321094 /nfs/dbraw/zinc/32/10/94/211321094.db2.gz 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O=C(NCCCNc1cccnc1)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000096131908 211303961 /nfs/dbraw/zinc/30/39/61/211303961.db2.gz STUNOPLRCSSBHA-UHFFFAOYSA-N 0 0 381.480 3.331 50 0 GGAARN CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2cnccn2)cc1Cl ZINC000096132560 211303936 /nfs/dbraw/zinc/30/39/36/211303936.db2.gz JXGWVCWIRYTEPF-LBPRGKRZSA-N 0 0 375.860 3.021 50 0 GGAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2cccnc2N(C)C2CCCCC2)on1 ZINC000096130997 211303589 /nfs/dbraw/zinc/30/35/89/211303589.db2.gz AOZIEXXNIRBGTF-UZLBHIALSA-N 0 0 398.507 3.134 50 0 GGAARN COc1ccc(CNc2nc(C(=O)NCc3c(C)nn(C)c3C)cs2)cc1 ZINC000096125532 211303597 /nfs/dbraw/zinc/30/35/97/211303597.db2.gz DFOYRAAANIBEOR-UHFFFAOYSA-N 0 0 385.493 3.044 50 0 GGAARN CC1CCN(C(=O)c2cccc(NC(=O)N[C@@H](CO)c3ccccc3)c2)CC1 ZINC000096130995 211303672 /nfs/dbraw/zinc/30/36/72/211303672.db2.gz UZGKHHPAKDKVLS-FQEVSTJZSA-N 0 0 381.476 3.414 50 0 GGAARN COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2cccc(N(C)C)c2)C3)cc1 ZINC000096133663 211303445 /nfs/dbraw/zinc/30/34/45/211303445.db2.gz AVKXLMWWCYPGIR-UHFFFAOYSA-N 0 0 376.460 3.350 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)Cn2ccc3c2cccc3NC(C)=O)cc1 ZINC000096118727 211303089 /nfs/dbraw/zinc/30/30/89/211303089.db2.gz NCIIXCUOBHNUDK-UHFFFAOYSA-N 0 0 379.416 3.415 50 0 GGAARN COc1ccccc1[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2C1CCSCC1 ZINC000096116660 211303116 /nfs/dbraw/zinc/30/31/16/211303116.db2.gz ZJWUSGPRCCTQHD-INIZCTEOSA-N 0 0 391.518 3.440 50 0 GGAARN Cn1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c2ccccc2c1=O ZINC000096118834 211302861 /nfs/dbraw/zinc/30/28/61/211302861.db2.gz QJQZMYJPDFIHPH-UHFFFAOYSA-N 0 0 386.455 3.435 50 0 GGAARN COc1ccc(Cc2nc(NC(=O)CCc3c[nH]c4ccccc34)n[nH]2)cc1 ZINC000096116572 211302916 /nfs/dbraw/zinc/30/29/16/211302916.db2.gz HZRIZFXYDMMVRI-UHFFFAOYSA-N 0 0 375.432 3.457 50 0 biogenic GGAARN O=c1[nH]n(C2CCOCC2)c2c1[C@H](c1ccc3ncccc3c1)SCC(=O)N2 ZINC000096118349 211302954 /nfs/dbraw/zinc/30/29/54/211302954.db2.gz BCUOIJXXBKBRFT-SFHVURJKSA-N 0 0 396.472 3.263 50 0 GGAARN COC(=O)C[C@H](c1ccnn1C(C)C)c1c(=O)[nH][nH]c1Cc1ccc(OC)cc1 ZINC000096116824 211302821 /nfs/dbraw/zinc/30/28/21/211302821.db2.gz YMPXLIZRBXNZMX-MRXNPFEDSA-N 0 0 398.463 3.187 50 0 GGAARN Cc1noc2nc(C)cc(C(=O)N[C@@H](CC(C)C)c3nnc4ccccn43)c12 ZINC000096117335 211302492 /nfs/dbraw/zinc/30/24/92/211302492.db2.gz BSMWJSJGLFHVHY-HNNXBMFYSA-N 0 0 378.436 3.400 50 0 GGAARN O=c1[nH]n(C2CCOCC2)c2c1[C@H](c1ccc(F)c(F)c1F)SCC(=O)N2 ZINC000096117506 211302285 /nfs/dbraw/zinc/30/22/85/211302285.db2.gz SXWPLPDHHSKCTJ-HNNXBMFYSA-N 0 0 399.394 3.132 50 0 GGAARN COc1cc2cc(C(=O)NCCCc3nc4ccccc4[nH]3)n(C)c2cc1OC ZINC000096117279 211302353 /nfs/dbraw/zinc/30/23/53/211302353.db2.gz ZDSODXAEWNHHTJ-UHFFFAOYSA-N 0 0 392.459 3.434 50 0 GGAARN Cc1cc(O)cc(=O)n1CCCC(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000096117303 211302394 /nfs/dbraw/zinc/30/23/94/211302394.db2.gz SBDFJJYJMPSNMQ-SFHVURJKSA-N 0 0 396.447 3.009 50 0 GGAARN COc1cc2c(cc1OC)CC(=O)N(Cc1ccc(N3CCCC3=O)cc1)C=C2 ZINC000096115305 211302404 /nfs/dbraw/zinc/30/24/04/211302404.db2.gz UBUMEBUUUDPZOE-UHFFFAOYSA-N 0 0 392.455 3.386 50 0 biogenic GGAARN O=c1[nH]n(C2CCOCC2)c2c1[C@@H](c1ccc3ncccc3c1)SCC(=O)N2 ZINC000096118348 211302196 /nfs/dbraw/zinc/30/21/96/211302196.db2.gz BCUOIJXXBKBRFT-GOSISDBHSA-N 0 0 396.472 3.263 50 0 GGAARN O=C(C[C@H]1NC(=O)c2ccccc21)NCCCCCc1nc2ccccc2[nH]1 ZINC000096118630 211302244 /nfs/dbraw/zinc/30/22/44/211302244.db2.gz OEYWQFXZGFMAON-LJQANCHMSA-N 0 0 376.460 3.267 50 0 GGAARN Cc1cccc(N(C)C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)c1 ZINC000096105493 211301968 /nfs/dbraw/zinc/30/19/68/211301968.db2.gz OOMBCEHFDKUREI-UHFFFAOYSA-N 0 0 385.508 3.485 50 0 GGAARN Cc1nc(C2CCN(C(=O)Nc3c(-c4ccccc4)c(C)nn3C)CC2)no1 ZINC000096142320 211308858 /nfs/dbraw/zinc/30/88/58/211308858.db2.gz APIPUMWWPPHXSJ-UHFFFAOYSA-N 0 0 380.452 3.498 50 0 GGAARN Cc1cc(NC(=O)N(C)Cc2noc(CC(C)C)n2)ccc1N1CCCC1=O ZINC000096141341 211308538 /nfs/dbraw/zinc/30/85/38/211308538.db2.gz LJXOPORVFHVJNH-UHFFFAOYSA-N 0 0 385.468 3.367 50 0 GGAARN 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Cc1cccc(SC2CCN(C(=O)Cn3c4ccccc4[nH]c3=O)CC2)c1 ZINC000063856059 210936737 /nfs/dbraw/zinc/93/67/37/210936737.db2.gz PHVCYMXTHQSRSC-UHFFFAOYSA-N 0 0 381.501 3.421 50 0 GGAARN CCN(Cc1noc(C)n1)C(=O)c1cc(-c2cncnc2)nc2c(C)cccc12 ZINC000063844527 210936110 /nfs/dbraw/zinc/93/61/10/210936110.db2.gz WWEXRLKXSPDERG-UHFFFAOYSA-N 0 0 388.431 3.354 50 0 GGAARN O=C(Cc1ccccc1)Oc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 ZINC000059506225 210924556 /nfs/dbraw/zinc/92/45/56/210924556.db2.gz KRGBQYVHZRFHQM-UHFFFAOYSA-N 0 0 392.436 3.396 50 0 GGAARN Cn1nccc1-c1nn2c(Cc3ccc(OC(F)(F)F)cc3)nnc2s1 ZINC000061720938 210931023 /nfs/dbraw/zinc/93/10/23/210931023.db2.gz VTMFSEIQNTXRPA-UHFFFAOYSA-N 0 0 380.355 3.076 50 0 GGAARN O=C(Cn1nc(-c2ccccc2F)ccc1=O)Nc1nc2c(s1)CCCCC2 ZINC000061720223 210930724 /nfs/dbraw/zinc/93/07/24/210930724.db2.gz RYGZPLGUOLJZGX-UHFFFAOYSA-N 0 0 398.463 3.414 50 0 GGAARN COc1ccc(-c2noc(-c3cccn3CC(=O)NCCC(C)C)n2)cc1OC ZINC000057487193 210900138 /nfs/dbraw/zinc/90/01/38/210900138.db2.gz FYCOVVGVOITFOZ-UHFFFAOYSA-N 0 0 398.463 3.385 50 0 GGAARN CC(=O)c1cccc(NC(=O)Cn2c(=O)cc(C)nc2Nc2cccc(F)c2)c1 ZINC000057506298 210899856 /nfs/dbraw/zinc/89/98/56/210899856.db2.gz OOUBHYRZBUUTCH-UHFFFAOYSA-N 0 0 394.406 3.276 50 0 GGAARN Cc1cc(C)c(NC(=O)Cn2c3ccsc3c(=O)n(CC(C)C)c2=O)c(C)c1 ZINC000057486055 210899080 /nfs/dbraw/zinc/89/90/80/210899080.db2.gz DKAYTDLKKUNDGU-UHFFFAOYSA-N 0 0 399.516 3.445 50 0 GGAARN CC(C)CCn1c(=O)c2sccc2n(CC(=O)Nc2ccccc2F)c1=O ZINC000057426650 210899184 /nfs/dbraw/zinc/89/91/84/210899184.db2.gz VIUXKFAHTWHPTN-UHFFFAOYSA-N 0 0 389.452 3.049 50 0 GGAARN Cc1cc(=O)n(CC(=O)N[C@@H]2CCc3ccccc32)c(-c2ccc(F)cc2)n1 ZINC000057477916 210899039 /nfs/dbraw/zinc/89/90/39/210899039.db2.gz KGYOVXLBPJNDDC-LJQANCHMSA-N 0 0 377.419 3.162 50 0 GGAARN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2oc3c(cccc3Cl)c2C)C1 ZINC000057320700 210897648 /nfs/dbraw/zinc/89/76/48/210897648.db2.gz KVXFOLXEVOXEJB-GXTWGEPZSA-N 0 0 392.883 3.398 50 0 GGAARN CC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C)nc2-c2ccc(F)cc2)cc1 ZINC000057477844 210898591 /nfs/dbraw/zinc/89/85/91/210898591.db2.gz WFOITIQAQZNJID-UHFFFAOYSA-N 0 0 379.391 3.199 50 0 GGAARN Cc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(C)c(F)c3)CC2)cc1C ZINC000057486169 210898200 /nfs/dbraw/zinc/89/82/00/210898200.db2.gz ZFRFHMHASWHEQI-UHFFFAOYSA-N 0 0 383.467 3.147 50 0 GGAARN CC(C)Cn1c(SCC(=O)N2CCC[C@@H](C)C2)nc2ccsc2c1=O ZINC000057426265 210896046 /nfs/dbraw/zinc/89/60/46/210896046.db2.gz IGLVZNIWFOKKDB-CYBMUJFWSA-N 0 0 379.551 3.465 50 0 GGAARN CCCc1nc(CN(CC)C(=O)C[C@H](C)n2nc(C)c(C(C)=O)c2C)no1 ZINC000055073755 210882182 /nfs/dbraw/zinc/88/21/82/210882182.db2.gz DKIPNATWDUVOKE-LBPRGKRZSA-N 0 0 375.473 3.038 50 0 GGAARN CCCC[C@H](NC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)c1cccnc1 ZINC000055073553 210881790 /nfs/dbraw/zinc/88/17/90/210881790.db2.gz YUSVIHREVWEFOM-KRWDZBQOSA-N 0 0 375.494 3.007 50 0 GGAARN CSc1ccccc1NC(=O)CCC(=O)N(C)Cc1nc(C(C)C)no1 ZINC000055360074 210887755 /nfs/dbraw/zinc/88/77/55/210887755.db2.gz RBEDTHPMNWFBJK-UHFFFAOYSA-N 0 0 376.482 3.292 50 0 GGAARN Cc1cccc(-c2noc(CN(C)C(=O)c3cnc(-c4ccncc4)nc3)n2)c1 ZINC000055385180 210887345 /nfs/dbraw/zinc/88/73/45/210887345.db2.gz PVHUARYJSMJEQJ-UHFFFAOYSA-N 0 0 386.415 3.169 50 0 GGAARN CCCC(=O)Nc1cccc(C(=O)N[C@H](C)c2nc(-c3ccncc3)no2)c1 ZINC000055224924 210883897 /nfs/dbraw/zinc/88/38/97/210883897.db2.gz VEZKAWNWTBVPIQ-CYBMUJFWSA-N 0 0 379.420 3.361 50 0 GGAARN CN(Cc1cnc(S(C)(=O)=O)n1Cc1ccccc1F)Cc1ccccc1 ZINC000055099293 210880945 /nfs/dbraw/zinc/88/09/45/210880945.db2.gz MSAYFHMCYJIRRF-UHFFFAOYSA-N 0 0 387.480 3.106 50 0 GGAARN Cc1ccc2c(c1)cc([C@@H]1CC(=O)Oc3cc(C)[nH]c(=O)c31)c(=O)n2CC(C)C ZINC000085878464 210867549 /nfs/dbraw/zinc/86/75/49/210867549.db2.gz YYJPPOIXDRASHG-INIZCTEOSA-N 0 0 392.455 3.404 50 0 biogenic GGAARN CCCn1nc(-c2nn3c(nnc3-c3ccc(OC)c(OC)c3)s2)cc1C ZINC000049549655 210863518 /nfs/dbraw/zinc/86/35/18/210863518.db2.gz GGOWFSQGZHBMIE-UHFFFAOYSA-N 0 0 384.465 3.452 50 0 GGAARN Cn1cc(OCc2ccccc2Cl)c(=O)cc1C(=O)Nc1nccs1 ZINC000049549822 210863666 /nfs/dbraw/zinc/86/36/66/210863666.db2.gz PEDCBJOJQLSXOZ-UHFFFAOYSA-N 0 0 375.837 3.327 50 0 GGAARN O=C(Cn1nc(Cl)c2ccccc2c1=O)Nc1cccc(Br)c1 ZINC000049547612 210863392 /nfs/dbraw/zinc/86/33/92/210863392.db2.gz GXAZKPBRROKYKN-UHFFFAOYSA-N 0 0 392.640 3.451 50 0 GGAARN COc1ccc(-c2nc(-c3nnn(Cc4ccccc4)c3C)no2)cc1OC ZINC000049410218 210861962 /nfs/dbraw/zinc/86/19/62/210861962.db2.gz PFHZIVDWBJDGAO-UHFFFAOYSA-N 0 0 377.404 3.369 50 0 GGAARN Cc1ccccc1Nc1cc(C)n2c(nn(CCOc3ccc(F)cc3)c2=O)n1 ZINC000049410825 210861821 /nfs/dbraw/zinc/86/18/21/210861821.db2.gz VLZQPFUPVLOQIC-UHFFFAOYSA-N 0 0 393.422 3.470 50 0 GGAARN CCc1noc(-c2ccc(SCC(=O)NCc3ccc(F)cc3F)nc2)n1 ZINC000049405659 210861261 /nfs/dbraw/zinc/86/12/61/210861261.db2.gz PGLFPNYGRPQSMQ-UHFFFAOYSA-N 0 0 390.415 3.381 50 0 GGAARN COc1ccc([C@H](C)NC(=O)c2snc(-c3ccccn3)c2N)cc1OC ZINC000049007594 210858456 /nfs/dbraw/zinc/85/84/56/210858456.db2.gz GDXGHYPMYNQZIU-NSHDSACASA-N 0 0 384.461 3.296 50 0 GGAARN O=C(c1cnc2ccccc2n1)N1CCc2[nH]nc(COc3ccccc3)c2C1 ZINC000048115611 210845026 /nfs/dbraw/zinc/84/50/26/210845026.db2.gz HOHZWJCJNJSORV-UHFFFAOYSA-N 0 0 385.427 3.130 50 0 GGAARN O=C([C@H]1CCc2ccccc2O1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1 ZINC000048179462 210845861 /nfs/dbraw/zinc/84/58/61/210845861.db2.gz MNHZYAKMVAUOES-HXUWFJFHSA-N 0 0 377.419 3.494 50 0 GGAARN CCCSc1ncc(Cl)c(C(=O)NCC(=O)Nc2ccc(OC)cc2)n1 ZINC000046086777 210834834 /nfs/dbraw/zinc/83/48/34/210834834.db2.gz MSLZZLIXDDQXBB-UHFFFAOYSA-N 0 0 394.884 3.009 50 0 GGAARN CNC(=O)c1cc(NC(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)ccc1Cl ZINC000047815493 210843189 /nfs/dbraw/zinc/84/31/89/210843189.db2.gz ARFGRXJUNFTAHB-HNNXBMFYSA-N 0 0 377.876 3.133 50 0 GGAARN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)N1CCN(Cc2ccco2)CC1 ZINC000047581149 210842139 /nfs/dbraw/zinc/84/21/39/210842139.db2.gz VKKSQCNIWDDTPH-HXUWFJFHSA-N 0 0 385.464 3.187 50 0 GGAARN O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000047343760 210840892 /nfs/dbraw/zinc/84/08/92/210840892.db2.gz PZEQINZDIULOED-HXUWFJFHSA-N 0 0 397.519 3.001 50 0 GGAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O ZINC000044840327 210813299 /nfs/dbraw/zinc/81/32/99/210813299.db2.gz ZKCVBQPDEFJSHK-ZDUSSCGKSA-N 0 0 385.851 3.426 50 0 GGAARN CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000045413545 210824940 /nfs/dbraw/zinc/82/49/40/210824940.db2.gz GRDOEUHCIIYCDW-OAHLLOKOSA-N 0 0 380.554 3.223 50 0 GGAARN COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)n2)c1 ZINC000044904056 210817952 /nfs/dbraw/zinc/81/79/52/210817952.db2.gz DAQZZANEHYSVIA-UHFFFAOYSA-N 0 0 387.798 3.350 50 0 GGAARN CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(C(=O)Nc2nc(C)c(C)s2)s1 ZINC000044903173 210816556 /nfs/dbraw/zinc/81/65/56/210816556.db2.gz PQKAIEGFSAPAKB-ZDUSSCGKSA-N 0 0 394.522 3.309 50 0 GGAARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc2ccccc2s1 ZINC000044918231 210816701 /nfs/dbraw/zinc/81/67/01/210816701.db2.gz RINUMBJFGVGYNC-AWEZNQCLSA-N 0 0 380.429 3.415 50 0 GGAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)ccc2C)c1=O ZINC000044840725 210813478 /nfs/dbraw/zinc/81/34/78/210813478.db2.gz ZWIJUPNMMNDOEW-AWEZNQCLSA-N 0 0 383.423 3.220 50 0 GGAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C)cc2C)c1=O ZINC000044840197 210813650 /nfs/dbraw/zinc/81/36/50/210813650.db2.gz FBUUGWOZTWLDDV-INIZCTEOSA-N 0 0 379.460 3.390 50 0 GGAARN CCOc1ccccc1CNC(=O)CCn1nc(-c2ccc(F)cc2)ccc1=O ZINC000041254575 210800783 /nfs/dbraw/zinc/80/07/83/210800783.db2.gz HCOFSZLLWQCAEW-UHFFFAOYSA-N 0 0 395.434 3.155 50 0 GGAARN CCSc1ncc(Cl)c(C(=O)NCCC(=O)Nc2ccccc2C)n1 ZINC000041156149 210800039 /nfs/dbraw/zinc/80/00/39/210800039.db2.gz SMCJQCNOXUYHSR-UHFFFAOYSA-N 0 0 378.885 3.309 50 0 GGAARN Cc1cc(OCC(=O)Nc2ccc(F)cc2F)nc(N2CCCCCC2)n1 ZINC000044170135 210810548 /nfs/dbraw/zinc/81/05/48/210810548.db2.gz KMXDSPZTJBYFTJ-UHFFFAOYSA-N 0 0 376.407 3.461 50 0 GGAARN O=C(O[C@H]1CCOC1=O)c1cn(-c2cccc(Cl)c2)c(=O)c2ccccc12 ZINC000044168184 210810418 /nfs/dbraw/zinc/81/04/18/210810418.db2.gz OKYFVXJNKYNFGX-KRWDZBQOSA-N 0 0 383.787 3.116 50 0 GGAARN Cc1ccc(-c2noc(Cn3c4ccccc4c(=O)n(C(C)C)c3=O)n2)cc1C ZINC000044167450 210810356 /nfs/dbraw/zinc/81/03/56/210810356.db2.gz JPWAGKHVEJJMKP-UHFFFAOYSA-N 0 0 390.443 3.459 50 0 GGAARN O=C(CCn1nc(-c2ccc(F)cc2)ccc1=O)NCc1ccccc1Cl ZINC000041254589 210801951 /nfs/dbraw/zinc/80/19/51/210801951.db2.gz YINQLEJANRPAFB-UHFFFAOYSA-N 0 0 385.826 3.409 50 0 GGAARN Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3cc(F)cc(F)c3)n2)cc1 ZINC000041254474 210801894 /nfs/dbraw/zinc/80/18/94/210801894.db2.gz JOLRBICUFPZUPE-UHFFFAOYSA-N 0 0 383.398 3.203 50 0 GGAARN COCCCn1ccc2c(cnc3c(-c4ccc(F)cc4)c(COC)nn32)c1=O ZINC000040397072 210786556 /nfs/dbraw/zinc/78/65/56/210786556.db2.gz KLBVARZEEATPBC-UHFFFAOYSA-N 0 0 396.422 3.033 50 0 GGAARN COc1ccc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)cc1 ZINC000040313107 210784861 /nfs/dbraw/zinc/78/48/61/210784861.db2.gz NSTUVXICMJXMNC-JOCHJYFZSA-N 0 0 393.443 3.021 50 0 biogenic GGAARN O=C(NCCc1c[nH]c2ccc(F)cc12)C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000040288492 210784948 /nfs/dbraw/zinc/78/49/48/210784948.db2.gz OQWNFRCUMLYQNQ-UHFFFAOYSA-N 0 0 394.328 3.018 50 0 GGAARN Nc1nc(=O)n(Cc2ccc(Br)cc2)c2sc3c(c21)CCC3 ZINC000040285789 210783361 /nfs/dbraw/zinc/78/33/61/210783361.db2.gz IISYHBHPSIGFPW-UHFFFAOYSA-N 0 0 376.279 3.340 50 0 GGAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(OC)cc(OC)c1 ZINC000079188913 210775432 /nfs/dbraw/zinc/77/54/32/210775432.db2.gz QASRVHIBGLOHSF-YLJYHZDGSA-N 0 0 396.395 3.266 50 0 biogenic GGAARN Cc1ccc(Cl)cc1-n1ccc2c(cnc3nc(C(F)(F)F)nn32)c1=O ZINC000038783838 210757421 /nfs/dbraw/zinc/75/74/21/210757421.db2.gz ZHEKEETXSWHOCS-UHFFFAOYSA-N 0 0 379.729 3.409 50 0 GGAARN COC(=O)c1cc2c(ccn(CCc3c[nH]c4ccc(F)cc34)c2=O)nc1C ZINC000038784240 210757466 /nfs/dbraw/zinc/75/74/66/210757466.db2.gz TVCACLOEXFIYNJ-UHFFFAOYSA-N 0 0 379.391 3.355 50 0 GGAARN COc1ccccc1Cn1ccc2nc3ncnn3c(-c3ccccc3)c2c1=O ZINC000038828612 210757041 /nfs/dbraw/zinc/75/70/41/210757041.db2.gz ZFOVIWJHFFPWHH-UHFFFAOYSA-N 0 0 383.411 3.163 50 0 GGAARN COc1cccc(-c2noc(-c3ccc(N4CCCOCC4)nc3)n2)c1OC ZINC000039542216 210764487 /nfs/dbraw/zinc/76/44/87/210764487.db2.gz WXRFXDRCAPNCPT-UHFFFAOYSA-N 0 0 382.420 3.043 50 0 GGAARN COc1ccc(-c2noc(-c3ccc(N(C)Cc4nonc4C)nc3)n2)cc1 ZINC000039466840 210761214 /nfs/dbraw/zinc/76/12/14/210761214.db2.gz GJTKNLTUZHKKPV-UHFFFAOYSA-N 0 0 378.392 3.135 50 0 GGAARN CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccccc2F)Oc2ccc(Cl)cc21 ZINC000038849277 210760065 /nfs/dbraw/zinc/76/00/65/210760065.db2.gz VELFTZANOLWZJU-INIZCTEOSA-N 0 0 398.843 3.035 50 0 GGAARN Cc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1Cl ZINC000038849708 210759422 /nfs/dbraw/zinc/75/94/22/210759422.db2.gz SZSAOZKHOYLOES-KRWDZBQOSA-N 0 0 394.880 3.204 50 0 GGAARN CCOC(=O)C[C@H](c1ccc(-c2ccccc2)o1)c1oc(CO)cc(=O)c1O ZINC000072324416 210746964 /nfs/dbraw/zinc/74/69/64/210746964.db2.gz CYRLJZBJIPTIQH-OAHLLOKOSA-N 0 0 384.384 3.183 50 0 biogenic GGAARN COc1ccc(OC)c(-c2cc(C(=O)N(Cc3cccn3C)C3CC3)n(C)n2)c1 ZINC000077200828 210752535 /nfs/dbraw/zinc/75/25/35/210752535.db2.gz NEKRTAZWWLDCJZ-UHFFFAOYSA-N 0 0 394.475 3.248 50 0 GGAARN COC(=O)c1ccc(Cn2cc(-c3nc(-c4ccccc4F)no3)ccc2=O)o1 ZINC000077200461 210752546 /nfs/dbraw/zinc/75/25/46/210752546.db2.gz GBNKDHNLTIFPDM-UHFFFAOYSA-N 0 0 395.346 3.132 50 0 GGAARN Cc1ccsc1[C@@H](O)CNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000077200839 210751158 /nfs/dbraw/zinc/75/11/58/210751158.db2.gz RJCVCAWBCYQOAL-ZDUSSCGKSA-N 0 0 379.425 3.228 50 0 GGAARN O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(N2CCOCC2)ncn1 ZINC000077200514 210751234 /nfs/dbraw/zinc/75/12/34/210751234.db2.gz JCXKRUKIYSCTBC-UHFFFAOYSA-N 0 0 388.471 3.474 50 0 GGAARN CN(CC(=O)NCc1cccnc1)c1nc2c(cccc2C(F)(F)F)s1 ZINC000077196803 210750348 /nfs/dbraw/zinc/75/03/48/210750348.db2.gz ASJWFNPRCDJTPA-UHFFFAOYSA-N 0 0 380.395 3.463 50 0 GGAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@](C)(O)c1ccc2c(c1)OCO2 ZINC000077184493 210750028 /nfs/dbraw/zinc/75/00/28/210750028.db2.gz 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CCOc1ccc(N2C(=O)CS[C@]23c2ccccc2N(C(=O)CC)C3=O)cc1 ZINC000012418296 210488401 /nfs/dbraw/zinc/48/84/01/210488401.db2.gz WEBWUCPTTDHLCO-NRFANRHFSA-N 0 0 396.468 3.301 50 0 GGAARN C[C@@H]1C(=O)N(c2ccccc2)[C@@H](c2ccc(Br)cc2)S1(=O)=O ZINC000012416869 210488161 /nfs/dbraw/zinc/48/81/61/210488161.db2.gz SSZOPYVCVDKPRK-BDJLRTHQSA-N 0 0 380.263 3.298 50 0 GGAARN O=C(c1ccccc1F)N1CCN(C2=NN=C(c3ccccc3)CS2)CC1 ZINC000038489194 210487465 /nfs/dbraw/zinc/48/74/65/210487465.db2.gz WPEXKDQSGXVOEY-UHFFFAOYSA-N 0 0 382.464 3.091 50 0 GGAARN CCC(=O)N1c2ccccc2[C@]2(SCC(=O)N2c2ccc(CC)cc2)C1=O ZINC000012413309 210485530 /nfs/dbraw/zinc/48/55/30/210485530.db2.gz TWNMAJOAXLQNBK-NRFANRHFSA-N 0 0 380.469 3.465 50 0 GGAARN Cc1ncc2c(c1-c1noc(-c3cn[nH]c3)n1)CCN(C(=O)c1ccccc1)C2 ZINC000023369187 210443658 /nfs/dbraw/zinc/44/36/58/210443658.db2.gz SPVXKAWBMDRORN-UHFFFAOYSA-N 0 0 386.415 3.029 50 0 GGAARN O=S(=O)(Cc1nc(-c2ccc3c(c2)OCO3)no1)c1ccc(Cl)s1 ZINC000023126415 210435152 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CN(c1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1)C1CCCCC1 ZINC000020995991 210372157 /nfs/dbraw/zinc/37/21/57/210372157.db2.gz PWRDEWGUEUDABW-UHFFFAOYSA-N 0 0 398.551 3.325 50 0 GGAARN O=C(CCc1nnc(-c2ccsc2)o1)N1CCCN(c2ccccc2)CC1 ZINC000020906348 210368757 /nfs/dbraw/zinc/36/87/57/210368757.db2.gz BSUTVZHZYPTDQO-UHFFFAOYSA-N 0 0 382.489 3.470 50 0 GGAARN O=C(C(=O)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1 ZINC000020909872 210368246 /nfs/dbraw/zinc/36/82/46/210368246.db2.gz KXJLHVDWMCEDKM-QGZVFWFLSA-N 0 0 377.362 3.358 50 0 GGAARN COc1ccc(-c2nc(CN3CCN(C(C)=O)CC3)c(C)o2)c2ccccc12 ZINC000020918374 210368098 /nfs/dbraw/zinc/36/80/98/210368098.db2.gz DRDIKMRCULSYEQ-UHFFFAOYSA-N 0 0 379.460 3.476 50 0 GGAARN OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CCN1Cc1ccc(F)cc1 ZINC000020907490 210367932 /nfs/dbraw/zinc/36/79/32/210367932.db2.gz HWQJXLCBUZVJEX-JOCHJYFZSA-N 0 0 394.494 3.285 50 0 GGAARN COc1ccc2c(c1)nc(CN1CCN(c3ccc(C(C)=O)cc3)CC1)n2C ZINC000020890256 210367354 /nfs/dbraw/zinc/36/73/54/210367354.db2.gz 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ZINC000020864863 210365261 /nfs/dbraw/zinc/36/52/61/210365261.db2.gz WPHFIHIQBYHNGM-UHFFFAOYSA-N 0 0 382.443 3.318 50 0 GGAARN Cc1nc(-c2c(C)ncc3c2CCN(C(=O)c2nccc4ccccc42)C3)no1 ZINC000020865088 210365026 /nfs/dbraw/zinc/36/50/26/210365026.db2.gz WIKXXBQRPSCJPF-UHFFFAOYSA-N 0 0 385.427 3.495 50 0 GGAARN Cc1ccccc1N1CCN(C(=O)CCc2nc(-c3cccnc3)no2)[C@H](C)C1 ZINC000020867640 210364731 /nfs/dbraw/zinc/36/47/31/210364731.db2.gz WMIXVZFAKIHLPN-QGZVFWFLSA-N 0 0 391.475 3.110 50 0 GGAARN COc1ccccc1N1CCN(C[C@H](O)COc2ccc(Cl)cc2C)CC1 ZINC000020807255 210363522 /nfs/dbraw/zinc/36/35/22/210363522.db2.gz QLLIQIZUNSESTO-SFHVURJKSA-N 0 0 390.911 3.219 50 0 GGAARN Cc1cc(C)c(-c2nc3c[nH]n(Cc4ccncc4)c-3n2)cc1Cn1cncn1 ZINC000020857337 210363397 /nfs/dbraw/zinc/36/33/97/210363397.db2.gz WRCQVKHQVZTSPF-UHFFFAOYSA-N 0 0 384.447 3.126 50 0 GGAARN O=C(CCC(=O)N1CCc2[nH]c3ccccc3c2C1)NCCc1ccccc1 ZINC000020761439 210362031 /nfs/dbraw/zinc/36/20/31/210362031.db2.gz DUVYEDFZIZGXEU-UHFFFAOYSA-N 0 0 375.472 3.192 50 0 biogenic GGAARN CC(=O)c1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000020746111 210361431 /nfs/dbraw/zinc/36/14/31/210361431.db2.gz WOYPOWAROIWFOZ-NRFANRHFSA-N 0 0 395.434 3.458 50 0 GGAARN OCC[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CCN1Cc1cccs1 ZINC000020784454 210361464 /nfs/dbraw/zinc/36/14/64/210361464.db2.gz PIKHURISBNKFJW-HXUWFJFHSA-N 0 0 382.533 3.003 50 0 GGAARN COc1cccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000020762112 210361557 /nfs/dbraw/zinc/36/15/57/210361557.db2.gz MHYFNULUOZNNJU-UHFFFAOYSA-N 0 0 377.444 3.480 50 0 biogenic GGAARN COc1ccc(Cc2noc(-c3ccc(N(C)Cc4nnc(C)o4)nc3)n2)cc1 ZINC000020774823 210361249 /nfs/dbraw/zinc/36/12/49/210361249.db2.gz LOCPBNVRIZERMX-UHFFFAOYSA-N 0 0 392.419 3.059 50 0 GGAARN COc1ccc(-n2ncc3c2NC(=O)C[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000020745681 210360405 /nfs/dbraw/zinc/36/04/05/210360405.db2.gz BKHQTMBCTMLQND-FQEVSTJZSA-N 0 0 378.363 3.250 50 0 GGAARN CC(C)Oc1cccc(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)c1 ZINC000020784800 210360289 /nfs/dbraw/zinc/36/02/89/210360289.db2.gz BOVFTRFGLKFXAP-KRWDZBQOSA-N 0 0 388.489 3.152 50 0 GGAARN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000020744339 210359785 /nfs/dbraw/zinc/35/97/85/210359785.db2.gz DWYSRWJNRKPNJP-CQSZACIVSA-N 0 0 386.835 3.098 50 0 GGAARN Cc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N3)cc1 ZINC000020744947 210359801 /nfs/dbraw/zinc/35/98/01/210359801.db2.gz PWKFTRBENJDOFZ-OAHLLOKOSA-N 0 0 381.823 3.429 50 0 GGAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncccn2)cc1OC ZINC000020731446 210359863 /nfs/dbraw/zinc/35/98/63/210359863.db2.gz UZGRUOWKHURDKB-KRWDZBQOSA-N 0 0 397.460 3.412 50 0 GGAARN CN(C)c1ccc(-c2nn3c(COc4ccc5c(c4)OCO5)nnc3s2)cc1 ZINC000020745230 210359868 /nfs/dbraw/zinc/35/98/68/210359868.db2.gz JOFLJOUXVUKDCY-UHFFFAOYSA-N 0 0 395.444 3.227 50 0 GGAARN CC(C)c1nnc2ccc(N3CCC(C(=O)NC4CCCCCC4)CC3)nn21 ZINC000020738255 210359572 /nfs/dbraw/zinc/35/95/72/210359572.db2.gz UKXCBZOPIWEPPL-UHFFFAOYSA-N 0 0 384.528 3.303 50 0 GGAARN O=C(NCc1ccccc1)c1nc(COc2ccc3c(c2)NC(=O)CC3)no1 ZINC000020734149 210359424 /nfs/dbraw/zinc/35/94/24/210359424.db2.gz UQVKPIKFSVTIPW-UHFFFAOYSA-N 0 0 378.388 3.113 50 0 GGAARN COc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)c1 ZINC000020745024 210359449 /nfs/dbraw/zinc/35/94/49/210359449.db2.gz ONSOHXZWODGIIA-FQEVSTJZSA-N 0 0 375.428 3.070 50 0 GGAARN COc1cccc2c([C@H](C(=O)[O-])[NH+]3CCN(c4ccc(F)cc4)CC3)c[nH]c21 ZINC000020745130 210359464 /nfs/dbraw/zinc/35/94/64/210359464.db2.gz XLHRLFYMBHVYFU-HXUWFJFHSA-N 0 0 383.423 3.264 50 0 GGAARN C[C@H](CCc1ccccc1)NC(=O)c1nc(COc2ccc3c(c2)OCO3)no1 ZINC000020733906 210359284 /nfs/dbraw/zinc/35/92/84/210359284.db2.gz BNBWGRYEZCGIFV-CQSZACIVSA-N 0 0 395.415 3.128 50 0 GGAARN Cc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccccc2Cl)C(=O)N3)cc1 ZINC000020739289 210359009 /nfs/dbraw/zinc/35/90/09/210359009.db2.gz VSJWOMAIDHYHTF-OAHLLOKOSA-N 0 0 381.823 3.429 50 0 GGAARN Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(-c4ccccc4)nn32)cc1Cl ZINC000020734728 210359022 /nfs/dbraw/zinc/35/90/22/210359022.db2.gz WJHGALLRCXMMJB-HNNXBMFYSA-N 0 0 381.823 3.429 50 0 GGAARN CSCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)Nc1nccs1 ZINC000020730425 210358921 /nfs/dbraw/zinc/35/89/21/210358921.db2.gz AESSTRHMQPTVIW-LBPRGKRZSA-N 0 0 375.475 3.380 50 0 GGAARN Cn1c(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc2ccccc21 ZINC000020745411 210358968 /nfs/dbraw/zinc/35/89/68/210358968.db2.gz UPBPRZIBCFRZRW-UHFFFAOYSA-N 0 0 381.863 3.430 50 0 GGAARN COc1ccc(CC(=O)N[C@H](CC(C)C)c2nnc3ccccn32)cc1OC ZINC000020738778 210358986 /nfs/dbraw/zinc/35/89/86/210358986.db2.gz YRTIVVOKOZKOEM-MRXNPFEDSA-N 0 0 382.464 3.193 50 0 GGAARN O=C(C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1ccc(F)c(Cl)c1 ZINC000020736487 210358553 /nfs/dbraw/zinc/35/85/53/210358553.db2.gz IGLKLDFPLXRWKN-AWEZNQCLSA-N 0 0 385.786 3.260 50 0 GGAARN Cn1cc(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)c2ccccc21 ZINC000020730718 210358577 /nfs/dbraw/zinc/35/85/77/210358577.db2.gz NIBIVMJQUQRVFN-UHFFFAOYSA-N 0 0 381.863 3.430 50 0 GGAARN COc1ccccc1N1CC[NH+]([C@H](C(=O)[O-])c2c(C)[nH]c3ccccc32)CC1 ZINC000020721389 210357941 /nfs/dbraw/zinc/35/79/41/210357941.db2.gz UBAYKMDNGOARMR-NRFANRHFSA-N 0 0 379.460 3.433 50 0 GGAARN COc1cc2ncn(CC(=O)Nc3ccccc3C(C)C)c(=O)c2cc1OC ZINC000020729424 210357830 /nfs/dbraw/zinc/35/78/30/210357830.db2.gz OJVJUMPQWZEZEO-UHFFFAOYSA-N 0 0 381.432 3.176 50 0 GGAARN CC(=O)c1ccc(NC[C@H](O)COc2ccc3c(C)c(C)c(=O)oc3c2)cc1 ZINC000020718324 210357896 /nfs/dbraw/zinc/35/78/96/210357896.db2.gz CIEQNAZQVACMHP-SFHVURJKSA-N 0 0 381.428 3.464 50 0 GGAARN COc1cccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncccn2)c1OC ZINC000020718437 210357558 /nfs/dbraw/zinc/35/75/58/210357558.db2.gz NMWGRDIJAKLAQO-KRWDZBQOSA-N 0 0 397.460 3.412 50 0 GGAARN Cn1cc(C(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)c2ccccc21 ZINC000020717699 210357524 /nfs/dbraw/zinc/35/75/24/210357524.db2.gz GISYYSBTNJVLIP-UHFFFAOYSA-N 0 0 389.499 3.486 50 0 GGAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc3c(c1)OCO3)SCC(=O)N2 ZINC000020727706 210357153 /nfs/dbraw/zinc/35/71/53/210357153.db2.gz KSFBIBOLQNWIMD-MRXNPFEDSA-N 0 0 381.417 3.124 50 0 GGAARN CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nnc2ccccn21 ZINC000020715281 210357179 /nfs/dbraw/zinc/35/71/79/210357179.db2.gz GYUDKBOIVOAXJY-CQSZACIVSA-N 0 0 396.925 3.155 50 0 GGAARN CCN1CCN(C(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)CC1 ZINC000020624834 210354136 /nfs/dbraw/zinc/35/41/36/210354136.db2.gz IUMUXQWAKYFSKF-UHFFFAOYSA-N 0 0 382.460 3.171 50 0 GGAARN Cn1cc(C(=O)Nc2cc(F)ccc2F)c(C(=O)Nc2cc(F)ccc2F)n1 ZINC000020616768 210353443 /nfs/dbraw/zinc/35/34/43/210353443.db2.gz APXNOFPRVZITGA-UHFFFAOYSA-N 0 0 392.312 3.481 50 0 GGAARN Cc1noc(C)c1COc1ccc(C(=O)N2CCN(Cc3ccco3)CC2)cc1 ZINC000020616202 210353242 /nfs/dbraw/zinc/35/32/42/210353242.db2.gz BSLBGZDIGBKAPX-UHFFFAOYSA-N 0 0 395.459 3.421 50 0 GGAARN CCCn1ncc2c1nc(C1CC1)cc2C(=O)N1CCN(Cc2ccco2)CC1 ZINC000020606925 210352811 /nfs/dbraw/zinc/35/28/11/210352811.db2.gz QMXPOHCRROCPGK-UHFFFAOYSA-N 0 0 393.491 3.270 50 0 GGAARN O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2cccc(F)c2F)CC1 ZINC000020614096 210352824 /nfs/dbraw/zinc/35/28/24/210352824.db2.gz OOPBHNUDCADUOM-UHFFFAOYSA-N 0 0 386.851 3.125 50 0 GGAARN O=C([C@H]1CC(c2ccc(F)cc2)=NO1)N1CC[C@@H](C(F)(F)F)n2nccc21 ZINC000020608267 210352658 /nfs/dbraw/zinc/35/26/58/210352658.db2.gz WXTBNGMRJDQCPL-KGLIPLIRSA-N 0 0 382.317 3.056 50 0 GGAARN CCn1cc(NC(=O)Cn2nc(C)c3c2nc(C2CC2)cc3C(F)(F)F)cn1 ZINC000020614196 210352697 /nfs/dbraw/zinc/35/26/97/210352697.db2.gz HWMMNUBHGAYFCG-UHFFFAOYSA-N 0 0 392.385 3.491 50 0 GGAARN COCCCn1c2nc(-c3cn(C)nc3C)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020605519 210352744 /nfs/dbraw/zinc/35/27/44/210352744.db2.gz AZDRIPVEOXTEPX-UHFFFAOYSA-N 0 0 395.435 3.137 50 0 GGAARN COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 ZINC000020613650 210352374 /nfs/dbraw/zinc/35/23/74/210352374.db2.gz CPDZJBOVGZGCOK-ZDUSSCGKSA-N 0 0 376.815 3.157 50 0 GGAARN COCCC(=O)N1CCc2c(cnc(C)c2-c2noc(-c3ccccc3)n2)C1 ZINC000020542234 210345602 /nfs/dbraw/zinc/34/56/02/210345602.db2.gz HEGCSIGJBHGVTP-UHFFFAOYSA-N 0 0 378.432 3.028 50 0 GGAARN CCn1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)c(C)n1 ZINC000020607147 210352090 /nfs/dbraw/zinc/35/20/90/210352090.db2.gz HJABDGSKGFYZMA-SFHVURJKSA-N 0 0 377.452 3.039 50 0 GGAARN CCn1cc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(CCOC)c3n2)cn1 ZINC000020605886 210352096 /nfs/dbraw/zinc/35/20/96/210352096.db2.gz KRWUSLCTSYNUAS-UHFFFAOYSA-N 0 0 399.398 3.003 50 0 GGAARN CC(C)c1ccc(S(=O)(=O)N(C)Cc2c(Br)cnn2C)cc1 ZINC000020608182 210352185 /nfs/dbraw/zinc/35/21/85/210352185.db2.gz REAFENGXFFWETE-UHFFFAOYSA-N 0 0 386.315 3.127 50 0 GGAARN CCOC(=O)C1CCN(C(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)CC1 ZINC000020606844 210351916 /nfs/dbraw/zinc/35/19/16/210351916.db2.gz QMNFFUQEHHUQSI-UHFFFAOYSA-N 0 0 389.399 3.069 50 0 GGAARN CC[C@@H](C(=O)N[C@H](C)Cn1nc(C)cc1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607662 210351873 /nfs/dbraw/zinc/35/18/73/210351873.db2.gz DUCMJEYRTIGURO-DOMZBBRYSA-N 0 0 397.445 3.360 50 0 GGAARN CCN(Cc1cn(CC)nc1C)S(=O)(=O)c1ccc(Br)cc1 ZINC000020602584 210351424 /nfs/dbraw/zinc/35/14/24/210351424.db2.gz YAHKIIXIUGCGRG-UHFFFAOYSA-N 0 0 386.315 3.185 50 0 GGAARN CCOC(=O)Cn1nc(C)c2c1nc(-c1cnn(C)c1C)cc2C(F)(F)F ZINC000020602612 210351254 /nfs/dbraw/zinc/35/12/54/210351254.db2.gz CDJGLXXMHHINAU-UHFFFAOYSA-N 0 0 381.358 3.031 50 0 GGAARN COc1ccc(Cc2noc(-c3ccc(N(C)Cc4ccon4)nc3)n2)cc1 ZINC000020600926 210351091 /nfs/dbraw/zinc/35/10/91/210351091.db2.gz JNWPYJDCFNNUSA-UHFFFAOYSA-N 0 0 377.404 3.355 50 0 GGAARN CC(C)Cn1c(CN2CC[C@H](c3ccc(F)cc3)C2)cnc1S(C)(=O)=O ZINC000020599422 210350933 /nfs/dbraw/zinc/35/09/33/210350933.db2.gz WVIFRNKACSGFLY-INIZCTEOSA-N 0 0 379.501 3.071 50 0 GGAARN CCn1cc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(CCOC)c3n2)c(C)n1 ZINC000020604447 210350220 /nfs/dbraw/zinc/35/02/20/210350220.db2.gz VCBBFKXUSXVUBD-UHFFFAOYSA-N 0 0 395.435 3.230 50 0 GGAARN O=C(c1cn2c3c(cccc3c1=O)CC2)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000020602571 210350086 /nfs/dbraw/zinc/35/00/86/210350086.db2.gz ZDAILXHDIQGFLU-UHFFFAOYSA-N 0 0 393.874 3.173 50 0 GGAARN CCn1cc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cn1 ZINC000020602170 210350135 /nfs/dbraw/zinc/35/01/35/210350135.db2.gz FTGOWRNMLDQDRT-UHFFFAOYSA-N 0 0 385.489 3.303 50 0 GGAARN Cn1c2nc(-c3ccc4c(c3)OCCO4)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604040 210349675 /nfs/dbraw/zinc/34/96/75/210349675.db2.gz HKTGMRLVLLCAOI-UHFFFAOYSA-N 0 0 395.362 3.448 50 0 GGAARN O=C(CSCc1c(Cl)cccc1Cl)NCCCN1CCOCC1 ZINC000020567870 210348486 /nfs/dbraw/zinc/34/84/86/210348486.db2.gz XGDBEYHQQGVTKY-UHFFFAOYSA-N 0 0 377.337 3.065 50 0 GGAARN CCOC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020557819 210347736 /nfs/dbraw/zinc/34/77/36/210347736.db2.gz BAZBKSSBOTXYQO-FQEVSTJZSA-N 0 0 397.450 3.129 50 0 GGAARN CN(Cc1cnc2ccccn12)Cc1cccc(-c2nc3c(c(=O)[nH]2)CCC3)c1 ZINC000020539035 210346826 /nfs/dbraw/zinc/34/68/26/210346826.db2.gz DTISUUWZMSQOBL-UHFFFAOYSA-N 0 0 385.471 3.205 50 0 GGAARN c1coc(-c2oc3ncnc(NCCN4CCOCC4)c3c2-c2ccco2)c1 ZINC000020548418 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CN(Cc1ccco1)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 ZINC000019790978 210296188 /nfs/dbraw/zinc/29/61/88/210296188.db2.gz CZGPBLJXMHLBDQ-UHFFFAOYSA-N 0 0 392.459 3.390 50 0 GGAARN CCc1ccc(-c2cc(C(=O)N3CCC(O)(c4ccccn4)CC3)[nH]n2)cc1 ZINC000019770779 210296220 /nfs/dbraw/zinc/29/62/20/210296220.db2.gz JZGQAASDJCCDAX-UHFFFAOYSA-N 0 0 376.460 3.158 50 0 GGAARN O=C(COc1ccccc1)N1CCN(Cc2ccccc2Br)CC1 ZINC000019774080 210296267 /nfs/dbraw/zinc/29/62/67/210296267.db2.gz BROLUYBHZGVJDX-UHFFFAOYSA-N 0 0 389.293 3.172 50 0 GGAARN CC(=O)N1CCC[C@H]1C(=O)N1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000019789954 210296026 /nfs/dbraw/zinc/29/60/26/210296026.db2.gz HWPNOSSZEGZLNX-FQEVSTJZSA-N 0 0 389.455 3.390 50 0 GGAARN Cc1nc(-c2c(C)ncc3c2CCN(C(=O)c2cc4ccccc4n2C)C3)no1 ZINC000019773791 210295894 /nfs/dbraw/zinc/29/58/94/210295894.db2.gz QZZXQDKTAZDNCG-UHFFFAOYSA-N 0 0 387.443 3.439 50 0 GGAARN O=C(NCC[C@H]1COc2ccccc2O1)c1ccc(NCc2cccnc2)nc1 ZINC000019782148 210295293 /nfs/dbraw/zinc/29/52/93/210295293.db2.gz 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210289350 /nfs/dbraw/zinc/28/93/50/210289350.db2.gz YBVPSRMWYJXRMM-UHFFFAOYSA-N 0 0 381.501 3.118 50 0 GGAARN CC[C@@H]1C(=O)NCCN1c1ccc(-c2nc(CCCc3ccccc3)no2)cn1 ZINC000019720899 210289139 /nfs/dbraw/zinc/28/91/39/210289139.db2.gz NUXDYKRFNSXPDG-GOSISDBHSA-N 0 0 391.475 3.022 50 0 GGAARN CCOc1ccc(CN2CCN(Cc3cc(C(C)C)n[nH]3)C[C@@H]2CCO)cc1 ZINC000019720402 210288657 /nfs/dbraw/zinc/28/86/57/210288657.db2.gz TXAPWBXSCCCENM-FQEVSTJZSA-N 0 0 386.540 3.001 50 0 GGAARN COc1cc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000019720169 210288327 /nfs/dbraw/zinc/28/83/27/210288327.db2.gz LTTDYQRCBHONAW-MDZDMXLPSA-N 0 0 396.487 3.070 50 0 GGAARN Cc1ccccc1CSCCNC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000019681139 210282481 /nfs/dbraw/zinc/28/24/81/210282481.db2.gz ZMYQHXZMIAAHKB-UHFFFAOYSA-N 0 0 384.545 3.490 50 0 GGAARN CCN1C[C@@H](CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000019632668 210277978 /nfs/dbraw/zinc/27/79/78/210277978.db2.gz XFDJYSQDBULQSI-JOCHJYFZSA-N 0 0 378.516 3.173 50 0 fda GGAARN COc1ccc(CN2CCN(Cc3cc4ccccc4[nH]3)C[C@@H]2CCO)c(F)c1 ZINC000019608097 210275990 /nfs/dbraw/zinc/27/59/90/210275990.db2.gz JKQAMHMAWOYYJC-FQEVSTJZSA-N 0 0 397.494 3.384 50 0 GGAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccccc2)CC1 ZINC000019607156 210276094 /nfs/dbraw/zinc/27/60/94/210276094.db2.gz XYUDBWDVIFXSAG-UHFFFAOYSA-N 0 0 385.316 3.500 50 0 GGAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc4sc(N)nc4c3)CC2)cc1 ZINC000019607029 210275610 /nfs/dbraw/zinc/27/56/10/210275610.db2.gz BCESNJDHGZIYRT-UHFFFAOYSA-N 0 0 380.473 3.044 50 0 GGAARN Cc1ccc(-c2nnc(CCC(=O)NCc3nc4ccccc4n3C)o2)s1 ZINC000019608547 210275334 /nfs/dbraw/zinc/27/53/34/210275334.db2.gz ZBOINBIYLQAGOM-UHFFFAOYSA-N 0 0 381.461 3.242 50 0 GGAARN Cc1ccncc1C(=O)N1CCC[C@H]1c1ccc(C(=O)Nc2ccnn2C)s1 ZINC000019608523 210275120 /nfs/dbraw/zinc/27/51/20/210275120.db2.gz MNTFAUPUUXZMSW-HNNXBMFYSA-N 0 0 395.488 3.415 50 0 GGAARN COCC1(C(=O)N2CCN(c3ccccc3-c3ccccc3)C(=O)C2)CCC1 ZINC000426405210 533114216 /nfs/dbraw/zinc/11/42/16/533114216.db2.gz 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ZINC000002850571 220573965 /nfs/dbraw/zinc/57/39/65/220573965.db2.gz KCWFHFZHICTZRP-GFCCVEGCSA-N 0 0 384.270 3.018 50 0 GGAARN CC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002991636 220593339 /nfs/dbraw/zinc/59/33/39/220593339.db2.gz AXMQPTOARBYCIF-KRWDZBQOSA-N 0 0 394.254 3.467 50 0 GGAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)C(Cl)(Cl)Cl ZINC000002999056 220595278 /nfs/dbraw/zinc/59/52/78/220595278.db2.gz CHFWZAQBURORTK-UHFFFAOYSA-N 0 0 388.656 3.329 50 0 GGAARN COc1nc(-c2cccc(C(=O)N[C@H](c3cccc(C)n3)C3CC3)c2)nn1C ZINC000426548488 533169693 /nfs/dbraw/zinc/16/96/93/533169693.db2.gz JIQODSSWVALMIE-SFHVURJKSA-N 0 0 377.448 3.075 50 0 GGAARN COc1cc2c(cc1OC)CN(C(=O)c1c[nH]nc1-c1ccccc1F)CC2 ZINC000150918058 533170502 /nfs/dbraw/zinc/17/05/02/533170502.db2.gz BIFMIAVCAUXGNW-UHFFFAOYSA-N 0 0 381.407 3.432 50 0 GGAARN COc1ccc(-c2cccc(C(=O)NCC[C@H](C)N3CCOCC3)c2)c(F)c1 ZINC000426471041 533183440 /nfs/dbraw/zinc/18/34/40/533183440.db2.gz RYONDCULHRIYOO-INIZCTEOSA-N 0 0 386.467 3.342 50 0 GGAARN COc1ccc(C2=NO[C@H](C(=O)Nc3cc(C)nn3-c3ccccc3)C2)cc1 ZINC000005029048 220814553 /nfs/dbraw/zinc/81/45/53/220814553.db2.gz PQZKVABVXCMHRU-IBGZPJMESA-N 0 0 376.416 3.321 50 0 GGAARN CNC(=O)c1c2c(sc1NC(=O)[C@H]1COc3ccccc3O1)C[C@@H](C)CC2 ZINC000005055647 220820011 /nfs/dbraw/zinc/82/00/11/220820011.db2.gz CNMQDPVGWRGPEE-XHDPSFHLSA-N 0 0 386.473 3.011 50 0 GGAARN COc1ccccc1N1CCN(C(=O)c2cc(=O)c3ccc(C)cc3o2)CC1 ZINC000005345685 220859608 /nfs/dbraw/zinc/85/96/08/220859608.db2.gz NEOFRCKIIDDFKC-UHFFFAOYSA-N 0 0 378.428 3.072 50 0 GGAARN COc1ccc(-n2nc(C(=O)NC[C@H]3CCCO3)cc2-c2ccccc2)cc1 ZINC000426580647 533218883 /nfs/dbraw/zinc/21/88/83/533218883.db2.gz FGMXQCDDXZXREX-LJQANCHMSA-N 0 0 377.444 3.457 50 0 GGAARN Cc1c(S(=O)(=O)CCNC(=O)Nc2ccc(C)cc2)c2ccccc2n1C ZINC000008808462 221060457 /nfs/dbraw/zinc/06/04/57/221060457.db2.gz CIFLGKGILWZWCY-UHFFFAOYSA-N 0 0 385.489 3.391 50 0 GGAARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2F)cc1OC ZINC000008767259 221056621 /nfs/dbraw/zinc/05/66/21/221056621.db2.gz QTHLZPUFUZQVBS-GOSISDBHSA-N 0 0 385.395 3.110 50 0 GGAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)ccc1O ZINC000008766835 221056958 /nfs/dbraw/zinc/05/69/58/221056958.db2.gz RTDSWKTXZQAFFX-QGZVFWFLSA-N 0 0 387.823 3.321 50 0 GGAARN C[C@H](CCc1ccco1)NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O ZINC000008765224 221056973 /nfs/dbraw/zinc/05/69/73/221056973.db2.gz UBWKFCZJSUOTAD-CYBMUJFWSA-N 0 0 387.432 3.245 50 0 biogenic GGAARN O=C(CCCc1nc(-c2cccnc2)no1)NCCc1c[nH]c2ccccc12 ZINC000008764881 221057093 /nfs/dbraw/zinc/05/70/93/221057093.db2.gz ZRRMKSZZYIHWCL-UHFFFAOYSA-N 0 0 375.432 3.295 50 0 biogenic GGAARN Nc1c(C(=O)Nc2ccc(Br)cc2)nnn1-c1ccc(F)cc1 ZINC000009052956 221068576 /nfs/dbraw/zinc/06/85/76/221068576.db2.gz ICOCIJFJMKJBEZ-UHFFFAOYSA-N 0 0 376.189 3.003 50 0 GGAARN COc1ccc(NC(=O)C[C@H]([NH2+]CCc2c[nH]c3ccc(C)cc23)C(=O)[O-])cc1 ZINC000010385338 221102850 /nfs/dbraw/zinc/10/28/50/221102850.db2.gz FEISMJSLHMOZKG-FQEVSTJZSA-N 0 0 395.459 3.099 50 0 biogenic GGAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)c1C ZINC000009828165 221091403 /nfs/dbraw/zinc/09/14/03/221091403.db2.gz DBUBXPKLTNFNDW-UHFFFAOYSA-N 0 0 388.489 3.185 50 0 GGAARN CN(Cc1cc(C(=O)N(C)Cc2cc(C3CC3)n[nH]2)no1)Cc1ccccc1 ZINC000011819666 221128753 /nfs/dbraw/zinc/12/87/53/221128753.db2.gz VTMPGYNFBJMSJS-UHFFFAOYSA-N 0 0 379.464 3.179 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2c[nH]cn2)C1 ZINC000011819734 221128936 /nfs/dbraw/zinc/12/89/36/221128936.db2.gz DYEHBTXMQZCZPO-ZDUSSCGKSA-N 0 0 390.871 3.343 50 0 GGAARN CC(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)s1 ZINC000011820571 221128971 /nfs/dbraw/zinc/12/89/71/221128971.db2.gz HMKKEKHDJBJUTO-HNNXBMFYSA-N 0 0 386.473 3.439 50 0 GGAARN Cc1ccc(OCc2cc(C(=O)N(C)Cc3nc4ccccc4[nH]3)no2)cn1 ZINC000011820102 221128997 /nfs/dbraw/zinc/12/89/97/221128997.db2.gz SOPZTLOJVPLVSQ-UHFFFAOYSA-N 0 0 377.404 3.106 50 0 GGAARN Cc1nc2ccccc2n1Cc1cc(C(=O)N(C)CCc2ccccn2)no1 ZINC000011819914 221129375 /nfs/dbraw/zinc/12/93/75/221129375.db2.gz WQWLKAGNVTWWND-UHFFFAOYSA-N 0 0 375.432 3.091 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2c[nH]cn2)C1 ZINC000011819735 221129694 /nfs/dbraw/zinc/12/96/94/221129694.db2.gz DYEHBTXMQZCZPO-CYBMUJFWSA-N 0 0 390.871 3.343 50 0 GGAARN O=C(c1cc(Cn2cnc3ccccc32)n[nH]1)N1CCC[C@H]1c1nccs1 ZINC000011820161 221129776 /nfs/dbraw/zinc/12/97/76/221129776.db2.gz WAJXHPBUJIOFIL-KRWDZBQOSA-N 0 0 378.461 3.242 50 0 GGAARN Cc1c[nH]c(CN(C)C(=O)c2cc(COc3ccc4ncccc4c3)on2)n1 ZINC000011819790 221129808 /nfs/dbraw/zinc/12/98/08/221129808.db2.gz KCXNTQYQCNZROU-UHFFFAOYSA-N 0 0 377.404 3.106 50 0 GGAARN COC[C@H]1CCN(C(=O)c2coc(COc3cccc(C(F)(F)F)c3)n2)C1 ZINC000011839330 221130475 /nfs/dbraw/zinc/13/04/75/221130475.db2.gz JOLAUQKZORKHSS-LBPRGKRZSA-N 0 0 384.354 3.381 50 0 GGAARN Cc1ccc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)cn1 ZINC000011841024 221130746 /nfs/dbraw/zinc/13/07/46/221130746.db2.gz KITDSIBDQADZMZ-QFIPXVFZSA-N 0 0 399.441 3.323 50 0 GGAARN Cc1ccc(-n2cc(CN3CCNC(=O)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011840347 221130767 /nfs/dbraw/zinc/13/07/67/221130767.db2.gz QQTDXJKNXQQVQM-UHFFFAOYSA-N 0 0 378.451 3.309 50 0 GGAARN O=C(NCCCn1ncc2ccccc21)c1cn(CCCc2ccccc2)nn1 ZINC000011840297 221130792 /nfs/dbraw/zinc/13/07/92/221130792.db2.gz RUQWXZQBECCZAA-UHFFFAOYSA-N 0 0 388.475 3.081 50 0 GGAARN COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)C2=CCCC2)CC1 ZINC000011840197 221130882 /nfs/dbraw/zinc/13/08/82/221130882.db2.gz ARTQLAPHAAKVPY-UHFFFAOYSA-N 0 0 394.475 3.418 50 0 GGAARN COCC(=O)N1CCC(Oc2ccccc2C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000011839207 221131005 /nfs/dbraw/zinc/13/10/05/221131005.db2.gz YZKGATWLVXSTMN-QGZVFWFLSA-N 0 0 396.487 3.194 50 0 GGAARN CCOC(=O)C1(Cc2cccc(F)c2)CCN(C(=O)c2cscn2)CC1 ZINC000011840308 221131183 /nfs/dbraw/zinc/13/11/83/221131183.db2.gz WJFAFNUUIHMKNZ-UHFFFAOYSA-N 0 0 376.453 3.310 50 0 GGAARN Cc1cnc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3)cn1 ZINC000011839035 221131415 /nfs/dbraw/zinc/13/14/15/221131415.db2.gz LAMBLWZPRHQPOQ-NRFANRHFSA-N 0 0 386.446 3.192 50 0 GGAARN CC[C@@H]1CCCCN1C(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1 ZINC000011838638 221131502 /nfs/dbraw/zinc/13/15/02/221131502.db2.gz AEBNPTBWBCBGDZ-GOSISDBHSA-N 0 0 388.508 3.108 50 0 GGAARN COc1ccc(OC)c(CC(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000011841772 221132051 /nfs/dbraw/zinc/13/20/51/221132051.db2.gz MJSNSYGCTBEIHJ-QHCPKHFHSA-N 0 0 383.488 3.090 50 0 GGAARN COc1ccc(F)c(C[C@]2(CCC(=O)NC(C3CC3)C3CC3)CCC(=O)N2)c1 ZINC000011882533 221134569 /nfs/dbraw/zinc/13/45/69/221134569.db2.gz DMQFPBVJXKIEBW-QFIPXVFZSA-N 0 0 388.483 3.111 50 0 GGAARN COc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000011174835 221111997 /nfs/dbraw/zinc/11/19/97/221111997.db2.gz AJSFNUXIZGZFPY-CRAIPNDOSA-N 0 0 398.459 3.010 50 0 GGAARN CC(=O)c1ccc(OCc2cc(C(=O)NCc3cn4ccccc4n3)no2)cc1 ZINC000011664479 221120778 /nfs/dbraw/zinc/12/07/78/221120778.db2.gz SGJMHUZYUSLGJR-UHFFFAOYSA-N 0 0 390.399 3.034 50 0 GGAARN Cc1ncsc1CCC(=O)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000011934052 221136987 /nfs/dbraw/zinc/13/69/87/221136987.db2.gz AOJAJBJKWLQCPS-MRXNPFEDSA-N 0 0 387.505 3.258 50 0 GGAARN O=C(NCCc1cn2ccccc2n1)c1coc(COc2ccccc2F)n1 ZINC000011935751 221138463 /nfs/dbraw/zinc/13/84/63/221138463.db2.gz FCBQNSNHQFSGHI-UHFFFAOYSA-N 0 0 380.379 3.013 50 0 GGAARN COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3n[nH]c4ccccc43)C2)cc1OC ZINC000011936642 221138895 /nfs/dbraw/zinc/13/88/95/221138895.db2.gz XRUOKSMZPQMQOC-OAHLLOKOSA-N 0 0 393.443 3.315 50 0 GGAARN CCCCN(C)Cc1cnc(S(=O)(=O)C(C)C)n1Cc1ccccc1F ZINC000011935851 221139578 /nfs/dbraw/zinc/13/95/78/221139578.db2.gz PTTKZYHVKOXGKG-UHFFFAOYSA-N 0 0 381.517 3.485 50 0 GGAARN O=C(NCC[C@H]1COc2ccccc2O1)c1cn(CCC2CCCCC2)nn1 ZINC000011934953 221139841 /nfs/dbraw/zinc/13/98/41/221139841.db2.gz ORZUAJZFUSDIFK-KRWDZBQOSA-N 0 0 384.480 3.208 50 0 GGAARN Cc1noc(C)c1CC(=O)NC[C@@H]1Cc2cc(F)cc(-c3cccnc3)c2O1 ZINC000012129659 221155617 /nfs/dbraw/zinc/15/56/17/221155617.db2.gz OFZMJFVJAJVEDF-KRWDZBQOSA-N 0 0 381.407 3.155 50 0 GGAARN Cc1csc(CNC(=O)c2cnn(-c3nccc(-c4ccc(C)o4)n3)c2C)n1 ZINC000012130616 221157104 /nfs/dbraw/zinc/15/71/04/221157104.db2.gz CJPIWLVNTRZHBQ-UHFFFAOYSA-N 0 0 394.460 3.234 50 0 GGAARN Cc1ccc(O)c(-c2n[nH]c3c2[C@H](c2ccccc2F)N(CCCO)C3=O)c1 ZINC000011916399 221135968 /nfs/dbraw/zinc/13/59/68/221135968.db2.gz DIBBSXMEBYOXLU-FQEVSTJZSA-N 0 0 381.407 3.157 50 0 GGAARN Cc1ccc(O)c(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(CCCO)C3=O)c1 ZINC000011916400 221136445 /nfs/dbraw/zinc/13/64/45/221136445.db2.gz DIBBSXMEBYOXLU-HXUWFJFHSA-N 0 0 381.407 3.157 50 0 GGAARN Cn1c(C2CCC2)nc2cc(C(=O)NC(C)(C)C)cc(NC(=O)[C@H]3CCCO3)c21 ZINC000012167628 221162079 /nfs/dbraw/zinc/16/20/79/221162079.db2.gz BCZZXICTJRMHFR-QGZVFWFLSA-N 0 0 398.507 3.487 50 0 GGAARN O=C(NC[C@H]1Cc2cc(-c3cccnc3)cc(F)c2O1)c1ccc2c(c1)OCO2 ZINC000012182039 221162791 /nfs/dbraw/zinc/16/27/91/221162791.db2.gz CPIITCOUFNZPPS-QGZVFWFLSA-N 0 0 392.386 3.350 50 0 GGAARN COCCCNC(=O)c1ccc(Oc2coc3cc(OC)ccc3c2=O)cc1 ZINC000012442570 221195027 /nfs/dbraw/zinc/19/50/27/221195027.db2.gz RAQBVXVACDSNSV-UHFFFAOYSA-N 0 0 383.400 3.360 50 0 GGAARN Cc1csc(NC(=O)CCNC(=O)N2CCc3c4ccccc4[nH]c3C2)n1 ZINC000012409342 221190261 /nfs/dbraw/zinc/19/02/61/221190261.db2.gz MWGNUSAYZBGQNR-UHFFFAOYSA-N 0 0 383.477 3.029 50 0 biogenic GGAARN CCn1nc(C)c(CN(C)S(=O)(=O)c2ccc(Br)cc2)c1C ZINC000014229625 221305748 /nfs/dbraw/zinc/30/57/48/221305748.db2.gz DMLXQTDQFNEUDA-UHFFFAOYSA-N 0 0 386.315 3.103 50 0 GGAARN Cc1cc(C)c(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)c(C)c1 ZINC000016994268 221375186 /nfs/dbraw/zinc/37/51/86/221375186.db2.gz PFBNWPSSBIHAAM-UHFFFAOYSA-N 0 0 397.500 3.426 50 0 GGAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)COc1coc(C)cc1=O ZINC000409413913 533233607 /nfs/dbraw/zinc/23/36/07/533233607.db2.gz LLKGSXNDYUNCJV-QGZVFWFLSA-N 0 0 382.416 3.011 50 0 biogenic GGAARN COCc1nc(-c2cccc(NC(=O)[C@H](CCSC)n3cccc3)c2)n[nH]1 ZINC000409413730 533270598 /nfs/dbraw/zinc/27/05/98/533270598.db2.gz KXYMSCMRSGANPS-INIZCTEOSA-N 0 0 385.493 3.353 50 0 GGAARN COc1ccc2cc([C@@H](C)NC(=O)N3CCC4(CCC(=O)N4)CC3)ccc2c1 ZINC000426707265 533335274 /nfs/dbraw/zinc/33/52/74/533335274.db2.gz SWBNBRBIVXCIGR-OAHLLOKOSA-N 0 0 381.476 3.364 50 0 GGAARN COc1cccc(-c2noc(CCCC(=O)N3CC(c4ccncc4)C3)n2)c1 ZINC000426465054 533376118 /nfs/dbraw/zinc/37/61/18/533376118.db2.gz BJNCWMUPJLBVJB-UHFFFAOYSA-N 0 0 378.432 3.089 50 0 GGAARN CO[C@]12CCN(C(=O)CCc3scnc3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426434137 533381652 /nfs/dbraw/zinc/38/16/52/533381652.db2.gz QSOAXKJHNKKMPK-IMFGXOCKSA-N 0 0 378.538 3.349 50 0 GGAARN CO[C@]12CCN(C(=O)c3ccncc3Cl)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426485993 533383525 /nfs/dbraw/zinc/38/35/25/533383525.db2.gz RSRMMGNDADSUPI-CFLQYTFWSA-N 0 0 387.867 3.361 50 0 GGAARN CO[C@]12CCN(C(=O)c3ccc(C(C)(C)C)cc3)[C@H]1C[C@@H](OCCO)CC2 ZINC000426634129 533383603 /nfs/dbraw/zinc/38/36/03/533383603.db2.gz YZPVDBXGQWXAHX-CNNODRBYSA-N 0 0 375.509 3.145 50 0 GGAARN COc1cc(-c2ccc(C(=O)N[C@H](C)c3nc(C)sc3C)cc2)nc(N)n1 ZINC000426412999 533453913 /nfs/dbraw/zinc/45/39/13/533453913.db2.gz QGXQYBZPFZBTCA-SNVBAGLBSA-N 0 0 383.477 3.129 50 0 GGAARN C/C(=C\c1ccccc1)C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000169780977 533409737 /nfs/dbraw/zinc/40/97/37/533409737.db2.gz ZSXWBZNYCBTIQO-SDNWHVSQSA-N 0 0 376.382 3.248 50 0 GGAARN COc1ccc(C2(C(=O)NCCn3cc(Cl)cn3)CCCC2)cc1OC ZINC000426420491 533423812 /nfs/dbraw/zinc/42/38/12/533423812.db2.gz WGUJMFUZUZLBMU-UHFFFAOYSA-N 0 0 377.872 3.182 50 0 GGAARN COc1ccc(CC(=O)N2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)cc1 ZINC000426658565 533442029 /nfs/dbraw/zinc/44/20/29/533442029.db2.gz UYZUIIJNQSDBBN-SXWKCWPCSA-N 0 0 396.487 3.250 50 0 GGAARN COc1ccc(CN(C[C@H]2CCCO2)C(=O)NCCc2cccc(C)n2)cc1 ZINC000426414736 533549526 /nfs/dbraw/zinc/54/95/26/533549526.db2.gz SAJJBQVBPNXGHJ-OAQYLSRUSA-N 0 0 383.492 3.332 50 0 GGAARN COc1ccc(CN(Cc2ccccc2F)C(=O)N[C@H]2CCOC2)cc1OC ZINC000426388333 533550677 /nfs/dbraw/zinc/55/06/77/533550677.db2.gz AEOUNWMLNJDEPG-KRWDZBQOSA-N 0 0 388.439 3.344 50 0 GGAARN CSCCCNC(=O)c1ccc(-c2cc(C(=O)N3CCCC3)ccn2)cc1 ZINC000426361616 533570834 /nfs/dbraw/zinc/57/08/34/533570834.db2.gz AEZZGRAHZRGSQU-UHFFFAOYSA-N 0 0 383.517 3.468 50 0 GGAARN COC(=O)C[C@@H](c1c(Cl)nc2sccn21)c1cc2c(cc1O)OCO2 ZINC000218425950 533615105 /nfs/dbraw/zinc/61/51/05/533615105.db2.gz FJEQTKPOJNXALU-SECBINFHSA-N 0 0 380.809 3.179 50 0 GGAARN O=C(CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccccn1 ZINC000040288046 132403459 /nfs/dbraw/zinc/40/34/59/132403459.db2.gz OSOHOADCNFHNKM-UHFFFAOYSA-N 0 0 386.883 3.193 50 0 GGAARN C[C@H]1Oc2ccc(NC(=O)c3cc(=O)c4cc(Cl)ccc4o3)cc2N(C)C1=O ZINC000041155964 132412415 /nfs/dbraw/zinc/41/24/15/132412415.db2.gz QBIJWVIZNNFZLZ-SNVBAGLBSA-N 0 0 398.802 3.442 50 0 GGAARN CSc1ccccc1C(=O)N1CCN(c2ccc(-c3noc(C)n3)cn2)CC1 ZINC000042380529 132413648 /nfs/dbraw/zinc/41/36/48/132413648.db2.gz BSVUHDDPGNRWKR-UHFFFAOYSA-N 0 0 395.488 3.124 50 0 GGAARN Cc1cc(OCC(=O)NCc2ccc(Cl)cc2)nc(N2CCC[C@H](C)C2)n1 ZINC000044168863 132417665 /nfs/dbraw/zinc/41/76/65/132417665.db2.gz ZTZUNRILNFYZHP-AWEZNQCLSA-N 0 0 388.899 3.370 50 0 GGAARN COc1cc(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)cc(OC)c1 ZINC000044841520 132419785 /nfs/dbraw/zinc/41/97/85/132419785.db2.gz ZVSHCKQHZZJJAK-UHFFFAOYSA-N 0 0 398.459 3.365 50 0 GGAARN COC(=O)c1c(=O)[nH]c2ccccc2c1NCCN1CCCc2ccccc21 ZINC000049001575 132435106 /nfs/dbraw/zinc/43/51/06/132435106.db2.gz YTNXLEQXJKMFPO-UHFFFAOYSA-N 0 0 377.444 3.179 50 0 GGAARN CC1CCC(NC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)CC1 ZINC000049006054 132435599 /nfs/dbraw/zinc/43/55/99/132435599.db2.gz WWOCNKYWSDRUAE-UHFFFAOYSA-N 0 0 396.491 3.414 50 0 GGAARN CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)NCCCc1ccccc1 ZINC000051316204 132439198 /nfs/dbraw/zinc/43/91/98/132439198.db2.gz FAQJOMSRJRPVTB-UHFFFAOYSA-N 0 0 380.488 3.459 50 0 GGAARN O=C(COC(=O)c1ccc(F)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000051354057 132439437 /nfs/dbraw/zinc/43/94/37/132439437.db2.gz USHUQOCALPGXJC-UHFFFAOYSA-N 0 0 394.805 3.124 50 0 GGAARN Cc1cc(Nc2cc(N3CCN(C)CC3)nc(C=Cc3ccccc3)n2)n[nH]1 ZINC000060326209 136155807 /nfs/dbraw/zinc/15/58/07/136155807.db2.gz BLQYVHBZHAISJM-HJWRWDBZSA-N 0 0 375.480 3.174 50 0 GGAARN C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000061717811 136155961 /nfs/dbraw/zinc/15/59/61/136155961.db2.gz OEDXMZRSZCAJIL-HNNXBMFYSA-N 0 0 386.883 3.199 50 0 GGAARN Cc1cnn(-c2cc(N3CCC(n4cc(C5CCCC5)nn4)CC3)ncn2)c1 ZINC000063870389 136156501 /nfs/dbraw/zinc/15/65/01/136156501.db2.gz JJGBUYWNEHGOBN-UHFFFAOYSA-N 0 0 378.484 3.061 50 0 GGAARN CCN1c2ccc(C(=O)NCc3ccco3)cc2-c2ccccc2S1(=O)=O ZINC000064762037 136157723 /nfs/dbraw/zinc/15/77/23/136157723.db2.gz WHNHMDKCLHMWSR-UHFFFAOYSA-N 0 0 382.441 3.405 50 0 GGAARN COc1ccc(OC)c([C@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000065255286 136161706 /nfs/dbraw/zinc/16/17/06/136161706.db2.gz CTPBSKBYUOLCIE-LJQANCHMSA-N 0 0 376.884 3.213 50 0 GGAARN COc1ccc(OC)c([C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000065255287 136161775 /nfs/dbraw/zinc/16/17/75/136161775.db2.gz CTPBSKBYUOLCIE-IBGZPJMESA-N 0 0 376.884 3.213 50 0 GGAARN Cc1ccc(-c2nn3c(CN4CCN(c5ccccc5)CC4)nnc3s2)cc1 ZINC000065362925 136163474 /nfs/dbraw/zinc/16/34/74/136163474.db2.gz XCUNMCJYSSUPRS-UHFFFAOYSA-N 0 0 390.516 3.483 50 0 GGAARN Cc1cc(N2CCN(c3ncccc3C(N)=O)CC2)nc2cc(Cl)ccc12 ZINC000065372797 136163682 /nfs/dbraw/zinc/16/36/82/136163682.db2.gz OBAPBNOXJJPLQS-UHFFFAOYSA-N 0 0 381.867 3.017 50 0 GGAARN Cc1nn(-c2ccc(N3CCCCC3)nn2)c2c1[C@@H](c1ccccc1)CC(=O)N2 ZINC000065365895 136163699 /nfs/dbraw/zinc/16/36/99/136163699.db2.gz BAOIVYUILSSPLM-QGZVFWFLSA-N 0 0 388.475 3.435 50 0 GGAARN CCN1c2cc3c(cc2OCC1=O)[C@H](c1coc2ccccc2c1=O)CC(=O)N3 ZINC000065382527 136163916 /nfs/dbraw/zinc/16/39/16/136163916.db2.gz XXTBRJIFWIFUNS-CYBMUJFWSA-N 0 0 390.395 3.012 50 0 GGAARN Cc1ccc2c(c1)CCCN2C(=O)CN(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000065527735 136164214 /nfs/dbraw/zinc/16/42/14/136164214.db2.gz TUZJUAWIWYPXQG-NRFANRHFSA-N 0 0 379.504 3.350 50 0 GGAARN Cc1ccc(-n2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)nn2)cc1 ZINC000067262978 136164463 /nfs/dbraw/zinc/16/44/63/136164463.db2.gz JTTIFJDTYOXWFZ-UHFFFAOYSA-N 0 0 375.476 3.155 50 0 GGAARN O=C(Nc1ccc(F)cc1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 ZINC000067334525 136164579 /nfs/dbraw/zinc/16/45/79/136164579.db2.gz XBFRCFYIGHPWMM-UHFFFAOYSA-N 0 0 394.406 3.497 50 0 GGAARN O=C(NC1CCCCC1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 ZINC000067334544 136164590 /nfs/dbraw/zinc/16/45/90/136164590.db2.gz RGIJYDQGMYJMMS-UHFFFAOYSA-N 0 0 382.464 3.168 50 0 GGAARN CCOC(=O)[C@@H]1CN(c2ccc(CC)cc2)c2cc(F)ccc2S1(=O)=O ZINC000067340761 136164633 /nfs/dbraw/zinc/16/46/33/136164633.db2.gz QOCHEZZKWRQWFQ-SFHVURJKSA-N 0 0 377.437 3.245 50 0 GGAARN COc1ccc(-n2cnnc2CN2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000067676488 136164808 /nfs/dbraw/zinc/16/48/08/136164808.db2.gz BASRCAZNGBDZCF-UHFFFAOYSA-N 0 0 377.492 3.215 50 0 GGAARN Cn1ccnc1-c1ccc(N2CCC(CO)(CCc3ccccc3)CC2)nn1 ZINC000067789834 136164898 /nfs/dbraw/zinc/16/48/98/136164898.db2.gz BHDNTUQCOQHBJE-UHFFFAOYSA-N 0 0 377.492 3.089 50 0 GGAARN COc1ccnc(N2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)n1 ZINC000067770151 136164939 /nfs/dbraw/zinc/16/49/39/136164939.db2.gz SJYUDICOERTYMD-UHFFFAOYSA-N 0 0 381.398 3.326 50 0 GGAARN Cc1ccccc1C[C@@]1(CO)CCCN(c2ccc(-c3nccn3C)nn2)C1 ZINC000067757599 136164974 /nfs/dbraw/zinc/16/49/74/136164974.db2.gz DGQPABHPEOCQBR-QFIPXVFZSA-N 0 0 377.492 3.007 50 0 GGAARN CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCSCC3)nc2)C1 ZINC000067790673 136165032 /nfs/dbraw/zinc/16/50/32/136165032.db2.gz KJFOCFVUROENNG-QGZVFWFLSA-N 0 0 375.538 3.102 50 0 GGAARN O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000069164903 136165081 /nfs/dbraw/zinc/16/50/81/136165081.db2.gz NYHMEIBPPUWTPM-UHFFFAOYSA-N 0 0 380.488 3.001 50 0 GGAARN Cn1cc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c2ccccc21 ZINC000071279607 136165455 /nfs/dbraw/zinc/16/54/55/136165455.db2.gz TVKWHVIMZBBLCO-UHFFFAOYSA-N 0 0 383.473 3.361 50 0 GGAARN Cn1ccc2ccc(C(=O)Nc3ccc(N4CCCCS4(=O)=O)cc3)cc21 ZINC000071281591 136165468 /nfs/dbraw/zinc/16/54/68/136165468.db2.gz JRRQFDNFBJVYBU-UHFFFAOYSA-N 0 0 383.473 3.361 50 0 GGAARN Cn1ccc2c1cccc2C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1 ZINC000071283060 136165623 /nfs/dbraw/zinc/16/56/23/136165623.db2.gz ZLYIBCYCXVCQJI-UHFFFAOYSA-N 0 0 383.473 3.361 50 0 GGAARN COc1ccccc1-c1ccc(N2CCN(Cc3cccc(C)c3)C(=O)C2)nn1 ZINC000071745845 136166027 /nfs/dbraw/zinc/16/60/27/136166027.db2.gz RFWOLLCNPGGUBW-UHFFFAOYSA-N 0 0 388.471 3.309 50 0 GGAARN CC(C)Oc1cc(N2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)nc(N)n1 ZINC000071758896 136166238 /nfs/dbraw/zinc/16/62/38/136166238.db2.gz WEJBGJWJYNPYKQ-GFCCVEGCSA-N 0 0 376.407 3.224 50 0 GGAARN Cc1cccc(C)c1NC(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C ZINC000071757332 136166267 /nfs/dbraw/zinc/16/62/67/136166267.db2.gz QTLFUXCGJCBSNZ-QGZVFWFLSA-N 0 0 381.476 3.231 50 0 GGAARN OC1CCN(c2ccnc(NCc3ccc4[nH]c5c(c4c3)CCCC5)n2)CC1 ZINC000071763274 136166329 /nfs/dbraw/zinc/16/63/29/136166329.db2.gz GIIKDJOWKHDVIE-UHFFFAOYSA-N 0 0 377.492 3.410 50 0 GGAARN CCC(CC)N(CC)C(=O)C[C@H]1COc2ccc(C(=O)N(C)C)cc2N1C ZINC000071763818 136166403 /nfs/dbraw/zinc/16/64/03/136166403.db2.gz XZELDEGLWXJZJX-KRWDZBQOSA-N 0 0 375.513 3.013 50 0 GGAARN Cc1ccccc1N1CCN(C(=O)CCc2nc(-c3cccc(F)c3)no2)CC1 ZINC000072332138 136168479 /nfs/dbraw/zinc/16/84/79/136168479.db2.gz HAQKLJSAFOPCGQ-UHFFFAOYSA-N 0 0 394.450 3.466 50 0 GGAARN Cc1c[nH]c(CN(C)Cc2cc3cc(C)ccc3nc2N2CCC[C@H](O)C2)n1 ZINC000072408424 136169432 /nfs/dbraw/zinc/16/94/32/136169432.db2.gz QTEANKYIXQQDGS-IBGZPJMESA-N 0 0 379.508 3.168 50 0 GGAARN O=C(CCc1nc2ccccc2[nH]1)Nc1cccc(N2CCCCS2(=O)=O)c1 ZINC000072405158 136169491 /nfs/dbraw/zinc/16/94/91/136169491.db2.gz WDJJNNIJOCQTSC-UHFFFAOYSA-N 0 0 398.488 3.064 50 0 GGAARN COc1cccc(N2CCN(C(=O)c3cc(-c4cccs4)nn3C)CC2)c1 ZINC000072406026 136169516 /nfs/dbraw/zinc/16/95/16/136169516.db2.gz RFAKBVQMDWRSAA-UHFFFAOYSA-N 0 0 382.489 3.120 50 0 GGAARN Cn1nc(NC(=O)c2ccc3occc3c2)c2c1cccc2N1CCOCC1 ZINC000072428356 136169980 /nfs/dbraw/zinc/16/99/80/136169980.db2.gz FSKWLBJVGXFMDD-UHFFFAOYSA-N 0 0 376.416 3.408 50 0 GGAARN CCc1cccc(NC(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)c1 ZINC000072436981 136170171 /nfs/dbraw/zinc/17/01/71/136170171.db2.gz ZSBSKAOJYHYKRR-UHFFFAOYSA-N 0 0 394.523 3.383 50 0 GGAARN CCOc1ccc(CN2CCN(c3ncccc3Cl)C[C@@H]2CCO)cc1 ZINC000072433024 136170340 /nfs/dbraw/zinc/17/03/40/136170340.db2.gz MVOUHERYWOQOQW-KRWDZBQOSA-N 0 0 375.900 3.207 50 0 GGAARN Cc1ccccc1NC(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 ZINC000072441447 136171002 /nfs/dbraw/zinc/17/10/02/136171002.db2.gz BNJQXPSYOJVJRS-UHFFFAOYSA-N 0 0 380.496 3.129 50 0 GGAARN O=C(c1nnn(-c2ccc(OC(F)(F)F)cc2)n1)N1CCCc2ccccc21 ZINC000077100442 136171538 /nfs/dbraw/zinc/17/15/38/136171538.db2.gz YZHLEOWAHXKEDC-UHFFFAOYSA-N 0 0 389.337 3.154 50 0 GGAARN O=C(Nc1ccccc1Cl)N1CCN(c2ccc(-n3cccc3)nn2)CC1 ZINC000077101385 136171650 /nfs/dbraw/zinc/17/16/50/136171650.db2.gz NVTWZRXEYNECAC-UHFFFAOYSA-N 0 0 382.855 3.275 50 0 GGAARN Cc1cc(C)cc(N2CCN(C(=O)c3ccccc3N3CCCC3)CC2=O)c1 ZINC000077408113 136172117 /nfs/dbraw/zinc/17/21/17/136172117.db2.gz 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136173746 /nfs/dbraw/zinc/17/37/46/136173746.db2.gz OVGZSQZCXWHJHK-UHFFFAOYSA-N 0 0 380.835 3.015 50 0 GGAARN O=C(c1ccc(N2CCCC2)cc1)N1CCN(c2cccc(Cl)c2)C(=O)C1 ZINC000082108294 136173765 /nfs/dbraw/zinc/17/37/65/136173765.db2.gz ZICQAQBEAJAZCQ-UHFFFAOYSA-N 0 0 383.879 3.429 50 0 GGAARN Cc1ccc(N2C[C@@H](C)N(C(=O)Cc3ccc(F)c(F)c3F)CC2=O)cc1 ZINC000082137781 136173979 /nfs/dbraw/zinc/17/39/79/136173979.db2.gz XUQAEVHLAVJTQU-CYBMUJFWSA-N 0 0 376.378 3.219 50 0 GGAARN COc1cccc(N2C[C@H](Cc3ccccc3)N(C(=O)C3(C)CC3)CC2=O)c1 ZINC000082134365 136174015 /nfs/dbraw/zinc/17/40/15/136174015.db2.gz NFTYQWWPMWAFBS-IBGZPJMESA-N 0 0 378.472 3.282 50 0 GGAARN CCCC[C@@H]1CN(c2cccc3c2CCCC3)C(=O)CN1C(=O)c1cc[nH]n1 ZINC000082147083 136174132 /nfs/dbraw/zinc/17/41/32/136174132.db2.gz UJBAXNCBHISNRL-QGZVFWFLSA-N 0 0 380.492 3.336 50 0 GGAARN O=C(c1ccc(-n2ccnc2)cc1)N1CCN(c2cccc(Cl)c2)C(=O)C1 ZINC000082160448 136174281 /nfs/dbraw/zinc/17/42/81/136174281.db2.gz QDBVOUYPSLHRTG-UHFFFAOYSA-N 0 0 380.835 3.015 50 0 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/nfs/dbraw/zinc/17/66/50/136176650.db2.gz ZBXXLMDNGABTNS-UHFFFAOYSA-N 0 0 385.830 3.216 50 0 GGAARN C[C@H](Sc1ccccn1)C(=O)N1CCN(c2ccccc2Cl)C(=O)C1 ZINC000091603853 136176729 /nfs/dbraw/zinc/17/67/29/136176729.db2.gz UZOHEGAWZXAFAV-ZDUSSCGKSA-N 0 0 375.881 3.091 50 0 GGAARN CC(C)Cc1cc(C(=O)N2CCN(c3nccc(-c4ccccc4)n3)CC2)on1 ZINC000091747075 136177076 /nfs/dbraw/zinc/17/70/76/136177076.db2.gz MDXRQURZMCRSLB-UHFFFAOYSA-N 0 0 391.475 3.293 50 0 GGAARN COc1cccc(N2CCN(C(=O)C3(c4ccc(F)cc4)CC3)[C@H](C)C2=O)c1 ZINC000091820242 136177164 /nfs/dbraw/zinc/17/71/64/136177164.db2.gz VMXCVKVHPJFHPU-OAHLLOKOSA-N 0 0 382.435 3.130 50 0 GGAARN O=C(NC1CCN(c2ccc(Cl)nn2)CC1)c1ccc([C@H]2CCCO2)s1 ZINC000092002503 136177341 /nfs/dbraw/zinc/17/73/41/136177341.db2.gz VLEDAHBIUCYFEJ-CYBMUJFWSA-N 0 0 392.912 3.442 50 0 GGAARN CSc1nccc(N2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)n1 ZINC000091987129 136177431 /nfs/dbraw/zinc/17/74/31/136177431.db2.gz YSQOCIRICDMMMG-UHFFFAOYSA-N 0 0 383.521 3.003 50 0 GGAARN CC(C)c1cncnc1N[C@@H]1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21 ZINC000091973919 136177499 /nfs/dbraw/zinc/17/74/99/136177499.db2.gz CWRFCFNILNKMLP-GOSISDBHSA-N 0 0 396.539 3.477 50 0 GGAARN CC(=O)NCc1ccc(N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)nc1 ZINC000095389325 136178877 /nfs/dbraw/zinc/17/88/77/136178877.db2.gz HXUJGQWTSNKZMT-QFIPXVFZSA-N 0 0 381.476 3.296 50 0 GGAARN COCCCN1CN(c2cccc(C(F)(F)F)c2)c2nc(C)c(C)c(=O)n2C1 ZINC000095481435 136179470 /nfs/dbraw/zinc/17/94/70/136179470.db2.gz CCIIUKUZTSMKJG-UHFFFAOYSA-N 0 0 396.413 3.284 50 0 GGAARN CC12CN3CC(C)(CN(C1)C3c1cc3ccccc3nc1N1CCCCC1)C2=O ZINC000095474386 136179481 /nfs/dbraw/zinc/17/94/81/136179481.db2.gz HIZLSCAGGNMNSH-UHFFFAOYSA-N 0 0 390.531 3.450 50 0 GGAARN CN(Cc1ccccc1)C(=O)CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000095480668 136179493 /nfs/dbraw/zinc/17/94/93/136179493.db2.gz JTUMPIURUWVKTA-UHFFFAOYSA-N 0 0 399.922 3.427 50 0 GGAARN Cn1cc(CN(C(=O)CN2C(=O)CCc3ccccc32)C2CCCCC2)cn1 ZINC000095500186 136179988 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CCC(=O)N1CCc2[nH]cnc2C12CCN(c1nccc(C3CCCC3)n1)CC2 ZINC000095522101 136181135 /nfs/dbraw/zinc/18/11/35/136181135.db2.gz SEXXBXTURUDMSX-UHFFFAOYSA-N 0 0 394.523 3.148 50 0 GGAARN COc1ccc2c(c1)OC[C@@H](C(=O)NCCCN1CCCc3ccccc31)C2 ZINC000095525904 136181411 /nfs/dbraw/zinc/18/14/11/136181411.db2.gz JDONSYCSDMIEEA-IBGZPJMESA-N 0 0 380.488 3.205 50 0 GGAARN CCCCOc1ccc(C(=O)Nc2c(C)nc(N3CCN(C)CC3)nc2C)cc1 ZINC000096098601 136183601 /nfs/dbraw/zinc/18/36/01/136183601.db2.gz TWOWDQXCQDCIGV-UHFFFAOYSA-N 0 0 397.523 3.276 50 0 GGAARN Cc1cc2c(cc1NC(=O)NC[C@@H]1CC(=O)N(C)c3ccccc31)OCCO2 ZINC000096141415 136184255 /nfs/dbraw/zinc/18/42/55/136184255.db2.gz HAOQIMHHIJYPKR-AWEZNQCLSA-N 0 0 381.432 3.038 50 0 GGAARN O=C(Nc1cc(N2CCOCC2)ccc1Cl)N[C@@H]1COC2(CCCC2)C1 ZINC000096148919 136184427 /nfs/dbraw/zinc/18/44/27/136184427.db2.gz VIKCTOKUNDEJAK-AWEZNQCLSA-N 0 0 379.888 3.400 50 0 GGAARN Cc1nc2c(c(N3CCC(O)(c4cccnc4)CC3)n1)Cc1ccccc1OC2 ZINC000096151637 136184441 /nfs/dbraw/zinc/18/44/41/136184441.db2.gz 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3.338 50 0 GGAARN COc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1N1CCCCC1=O ZINC000005330195 136194788 /nfs/dbraw/zinc/19/47/88/136194788.db2.gz FTKSTNVBRXYQEA-UHFFFAOYSA-N 0 0 378.425 3.152 50 0 GGAARN COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCCC2=O)c(OC)c1 ZINC000005441465 136194916 /nfs/dbraw/zinc/19/49/16/136194916.db2.gz VBSFSKFXVIRVSN-UHFFFAOYSA-N 0 0 384.432 3.482 50 0 GGAARN Cc1cccc(NC(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)c1 ZINC000006728747 136195250 /nfs/dbraw/zinc/19/52/50/136195250.db2.gz HLBZOJCLABTBIX-UHFFFAOYSA-N 0 0 380.496 3.129 50 0 GGAARN O=C(Nc1nc(C(=O)N2CCN(c3ccccc3)CC2)cs1)c1ccccc1 ZINC000008806776 136195653 /nfs/dbraw/zinc/19/56/53/136195653.db2.gz KCTRXFCRUAKCLW-UHFFFAOYSA-N 0 0 392.484 3.358 50 0 GGAARN CCOc1c(C)cc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1C ZINC000008962450 136195854 /nfs/dbraw/zinc/19/58/54/136195854.db2.gz JLCNFSWLVNTLKS-UHFFFAOYSA-N 0 0 388.489 3.412 50 0 GGAARN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2)CC1 ZINC000000679731 136195960 /nfs/dbraw/zinc/19/59/60/136195960.db2.gz 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ZINC000049002254 570261488 /nfs/dbraw/zinc/26/14/88/570261488.db2.gz QAGWNOUCUNINNE-UHFFFAOYSA-N 0 0 381.432 3.384 50 0 GGAARN Cc1ccc(NC(=O)CN2CCc3[nH]c4ccccc4c(=O)c3C2)c(Cl)c1 ZINC000049003086 570261634 /nfs/dbraw/zinc/26/16/34/570261634.db2.gz SDCYOMOJWKCPOC-UHFFFAOYSA-N 0 0 381.863 3.487 50 0 GGAARN CCc1ccc(-n2nnc(C(=O)NCc3cccnc3)c2-c2ccncc2)cc1 ZINC000049003520 570261776 /nfs/dbraw/zinc/26/17/76/570261776.db2.gz BKVNSMGJBAVQAB-UHFFFAOYSA-N 0 0 384.443 3.217 50 0 GGAARN CCN(Cc1nc(-c2ccc(OC)cc2)no1)S(=O)(=O)c1ccc(F)cc1 ZINC000010537122 570262109 /nfs/dbraw/zinc/26/21/09/570262109.db2.gz PYECMCNIZAVNNM-UHFFFAOYSA-N 0 0 391.424 3.095 50 0 GGAARN O=C(NCc1ccc(N2CCCC2=O)cc1)N1CCO[C@@H](c2ccccc2)C1 ZINC000298794403 570262334 /nfs/dbraw/zinc/26/23/34/570262334.db2.gz XQKFUDBKPQQWGQ-HXUWFJFHSA-N 0 0 379.460 3.097 50 0 GGAARN CC(=O)c1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)cc1 ZINC000001427922 570262738 /nfs/dbraw/zinc/26/27/38/570262738.db2.gz XRNWDPCYKUYGOK-UHFFFAOYSA-N 0 0 380.473 3.321 50 0 GGAARN Cc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(NC(=O)C(C)(C)C)cc1)C(=O)N2 ZINC000001426069 570262830 /nfs/dbraw/zinc/26/28/30/570262830.db2.gz UKATVKJRPBSMNL-QFIPXVFZSA-N 0 0 380.444 3.392 50 0 GGAARN COC(=O)c1ccccc1NC(=O)CSc1nnc(C)n1-c1ccccc1 ZINC000001428444 570262862 /nfs/dbraw/zinc/26/28/62/570262862.db2.gz DAKOJRFWMDWVBM-UHFFFAOYSA-N 0 0 382.445 3.093 50 0 GGAARN Cc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(NC(=O)C(C)(C)C)cc1)C(=O)N2 ZINC000001426070 570262889 /nfs/dbraw/zinc/26/28/89/570262889.db2.gz UKATVKJRPBSMNL-JOCHJYFZSA-N 0 0 380.444 3.392 50 0 GGAARN Cc1nnc(NC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)s1 ZINC000049371969 570263067 /nfs/dbraw/zinc/26/30/67/570263067.db2.gz HTSRBVRONQGLEU-UHFFFAOYSA-N 0 0 386.506 3.220 50 0 GGAARN COc1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1OC ZINC000001431494 570263082 /nfs/dbraw/zinc/26/30/82/570263082.db2.gz ZTVCKPVUAYKBPV-UHFFFAOYSA-N 0 0 384.457 3.490 50 0 GGAARN Cc1cc2c(c(=O)[nH]1)[C@H](c1cc3ccccc3n(CC(C)C)c1=O)CC(=O)O2 ZINC000085876976 570263366 /nfs/dbraw/zinc/26/33/66/570263366.db2.gz ALNJRZPYJIAQBH-HNNXBMFYSA-N 0 0 378.428 3.095 50 0 biogenic GGAARN Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC(=O)CCc1cnccn1 ZINC000011661770 570263385 /nfs/dbraw/zinc/26/33/85/570263385.db2.gz CASQLADOTVLVFN-MRXNPFEDSA-N 0 0 382.512 3.156 50 0 GGAARN Cc1ccc(NC(=O)Cn2cnc3c(-c4ccncc4)nsc3c2=O)c(C)c1 ZINC000049401708 570264205 /nfs/dbraw/zinc/26/42/05/570264205.db2.gz GBFMQABSRJSCHG-UHFFFAOYSA-N 0 0 391.456 3.171 50 0 GGAARN Cc1cc(C)n(-c2cc(SCC(=O)Nc3ccc(F)cc3F)ncn2)n1 ZINC000049404139 570264800 /nfs/dbraw/zinc/26/48/00/570264800.db2.gz VAXDLYAUBDYCLV-UHFFFAOYSA-N 0 0 375.404 3.288 50 0 GGAARN COc1ccc(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)cc1OC ZINC000049404101 570264814 /nfs/dbraw/zinc/26/48/14/570264814.db2.gz LECLJHYTSKZPQZ-UHFFFAOYSA-N 0 0 399.476 3.027 50 0 GGAARN CC(=O)c1cccc(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)c1 ZINC000049404115 570264944 /nfs/dbraw/zinc/26/49/44/570264944.db2.gz RASAXMRMVCGYJA-UHFFFAOYSA-N 0 0 381.461 3.213 50 0 GGAARN O=C(NC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1)c1ccco1 ZINC000049406827 570265144 /nfs/dbraw/zinc/26/51/44/570265144.db2.gz BWMGGHXQWNLVLJ-UHFFFAOYSA-N 0 0 398.850 3.358 50 0 GGAARN Cc1ccc(-c2noc(Cn3ccn(-c4ccccc4C)c(=O)c3=O)n2)cc1C ZINC000049407743 570265226 /nfs/dbraw/zinc/26/52/26/570265226.db2.gz LQVYVRSSMYGAOB-UHFFFAOYSA-N 0 0 388.427 3.023 50 0 GGAARN Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3nncn3c2)c1 ZINC000049408223 570265592 /nfs/dbraw/zinc/26/55/92/570265592.db2.gz BEDXSQHYOHFKIC-UHFFFAOYSA-N 0 0 378.457 3.433 50 0 GGAARN Cc1ccccc1CC(=O)N1CCC2(CC1)NC(=O)c1cccc(Cl)c1N2 ZINC000049410083 570266086 /nfs/dbraw/zinc/26/60/86/570266086.db2.gz HGZOLLYDSHQGJG-UHFFFAOYSA-N 0 0 383.879 3.365 50 0 GGAARN Cc1ccc(CC(=O)N2CCC3(CC2)NC(=O)c2cccc(Cl)c2N3)cc1 ZINC000049410081 570266155 /nfs/dbraw/zinc/26/61/55/570266155.db2.gz DGENCCXXYLSTTO-UHFFFAOYSA-N 0 0 383.879 3.365 50 0 GGAARN O=C(Nc1ccc(Cl)cc1)c1nc(-c2cn(Cc3ccc(F)cc3)nn2)no1 ZINC000049410329 570266168 /nfs/dbraw/zinc/26/61/68/570266168.db2.gz LSCKENVRADZOHX-UHFFFAOYSA-N 0 0 398.785 3.421 50 0 GGAARN O=C(NCc1ccccc1Cl)c1cn(-c2cc(N3CCCCC3)ncn2)cn1 ZINC000049411256 570266433 /nfs/dbraw/zinc/26/64/33/570266433.db2.gz FQEIWXOLGVETRX-UHFFFAOYSA-N 0 0 396.882 3.236 50 0 GGAARN COc1ccc(NC(=O)c2cn(-c3cc(N4CCCCC4)ncn3)cn2)cc1F ZINC000049411226 570266569 /nfs/dbraw/zinc/26/65/69/570266569.db2.gz TZCRPRTUSQTVPF-UHFFFAOYSA-N 0 0 396.426 3.053 50 0 GGAARN CCOc1ccc(-c2cc(=O)n(CCCC(=O)Nc3cc(C)ns3)cn2)cc1 ZINC000049428288 570266765 /nfs/dbraw/zinc/26/67/65/570266765.db2.gz HYTPTGCOGVPVSW-UHFFFAOYSA-N 0 0 398.488 3.493 50 0 GGAARN Cc1cccc(CNC(=O)Cn2cnc(-c3noc(-c4cccc(F)c4)n3)c2)c1 ZINC000049420728 570266796 /nfs/dbraw/zinc/26/67/96/570266796.db2.gz RVLKEZBFQPECRI-UHFFFAOYSA-N 0 0 391.406 3.364 50 0 GGAARN CCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[nH]2)C1 ZINC000049421238 570267150 /nfs/dbraw/zinc/26/71/50/570267150.db2.gz NGKHOQCTEIRDPB-OAHLLOKOSA-N 0 0 396.516 3.313 50 0 GGAARN CCNC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[nH]2)C1 ZINC000049421239 570267163 /nfs/dbraw/zinc/26/71/63/570267163.db2.gz NGKHOQCTEIRDPB-HNNXBMFYSA-N 0 0 396.516 3.313 50 0 GGAARN COc1ccc([C@@H](O)CN2CCN(c3ccccc3Cl)CC2)cc1OC ZINC000049420899 570267270 /nfs/dbraw/zinc/26/72/70/570267270.db2.gz LFTKWEGXMQWUIF-SFHVURJKSA-N 0 0 376.884 3.213 50 0 GGAARN COc1ccc2nc(OC3CCN(C(=O)c4snnc4C)CC3)sc2c1 ZINC000049434435 570268059 /nfs/dbraw/zinc/26/80/59/570268059.db2.gz HFLVZVJBLGHZNI-UHFFFAOYSA-N 0 0 390.490 3.148 50 0 GGAARN O=C(N1CC(c2nc(-c3cnccn3)no2)C1)C1(c2cccs2)CCCC1 ZINC000049485003 570268151 /nfs/dbraw/zinc/26/81/51/570268151.db2.gz MUOPUFMUBXUMJC-UHFFFAOYSA-N 0 0 381.461 3.026 50 0 GGAARN NC(=O)COc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2cc(F)cc(F)c2)c1 ZINC000049546750 570268983 /nfs/dbraw/zinc/26/89/83/570268983.db2.gz PTOTYUARHHAYMH-MRXNPFEDSA-N 0 0 398.369 3.138 50 0 GGAARN COc1ccc(CNC(=O)Cn2nc(-c3ccc4ccccc4c3)ccc2=O)cc1 ZINC000049550248 570269624 /nfs/dbraw/zinc/26/96/24/570269624.db2.gz VSOYFSAZJRUYHH-UHFFFAOYSA-N 0 0 399.450 3.389 50 0 GGAARN CCn1ncc(CN(C)C(=O)NCc2cc(-c3cccc(OC)c3)on2)c1C ZINC000584903060 570270409 /nfs/dbraw/zinc/27/04/09/570270409.db2.gz SYZVKXWKZVFLRU-UHFFFAOYSA-N 0 0 383.452 3.217 50 0 GGAARN Cc1nc2ccccn2c1C(=O)NCC1CCN(C(=O)c2ccccc2F)CC1 ZINC000049523833 570270717 /nfs/dbraw/zinc/27/07/17/570270717.db2.gz WCDOMOFJQLZOGE-UHFFFAOYSA-N 0 0 394.450 3.064 50 0 GGAARN CC[C@H](NC(=O)N(C)Cc1ccnc(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000584902557 570271690 /nfs/dbraw/zinc/27/16/90/570271690.db2.gz CROVAGKFIWDFMC-SFHVURJKSA-N 0 0 375.494 3.086 50 0 GGAARN COc1cccc(CN(C(=O)NCc2cccc(C(=O)N(C)C)c2)C2CC2)c1 ZINC000584902818 570272091 /nfs/dbraw/zinc/27/20/91/570272091.db2.gz UOHZLDBHULKYLC-UHFFFAOYSA-N 0 0 381.476 3.271 50 0 GGAARN COCC(=O)Nc1c2ccccc2oc1C(=O)Nc1cc(OC)ccc1OC ZINC000005107057 570273760 /nfs/dbraw/zinc/27/37/60/570273760.db2.gz WMZKZGAVAFPBEC-UHFFFAOYSA-N 0 0 384.388 3.287 50 0 GGAARN COc1cc2ncnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)c2cc1OC ZINC000526056025 570274760 /nfs/dbraw/zinc/27/47/60/570274760.db2.gz CTRQERSYTNOHHP-CYBMUJFWSA-N 0 0 388.468 3.093 50 0 GGAARN Cc1ccc(-c2nc3c([nH]c(=O)n3-c3ccc(C(C)(C)C)cc3)c(C(N)=O)n2)o1 ZINC000005143508 570274852 /nfs/dbraw/zinc/27/48/52/570274852.db2.gz PEAJHIRNJWUBDY-UHFFFAOYSA-N 0 0 391.431 3.074 50 0 GGAARN O=C(Nc1ccc2c(c1)OCCO2)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000005196225 570276664 /nfs/dbraw/zinc/27/66/64/570276664.db2.gz DQBGKVQOGDBHRC-CQSZACIVSA-N 0 0 387.823 3.038 50 0 GGAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nnc(-c2ccccc2)o1 ZINC000005189482 570276877 /nfs/dbraw/zinc/27/68/77/570276877.db2.gz NRDIKEFEEKFQJP-UHFFFAOYSA-N 0 0 391.836 3.193 50 0 GGAARN CCOc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2N)cc1 ZINC000006147516 570277408 /nfs/dbraw/zinc/27/74/08/570277408.db2.gz WEXBUAAVIUSVBG-UHFFFAOYSA-N 0 0 375.498 3.169 50 0 GGAARN Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc3nccnc3c2)c1 ZINC000012274198 570280331 /nfs/dbraw/zinc/28/03/31/570280331.db2.gz WSRTXXLSGCSWSK-ZDUSSCGKSA-N 0 0 391.460 3.033 50 0 GGAARN COc1cccc(NC(=O)CCS[C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000101160314 570281510 /nfs/dbraw/zinc/28/15/10/570281510.db2.gz ZGFLAHKHFOCOGE-SFHVURJKSA-N 0 0 398.484 3.398 50 0 GGAARN Cc1cc(C)cc(C(=O)Nn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)c1 ZINC000011665742 570282445 /nfs/dbraw/zinc/28/24/45/570282445.db2.gz VNPSMMANTSTVOC-UHFFFAOYSA-N 0 0 393.834 3.236 50 0 GGAARN CCOc1cccc(C(=O)N(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000006810991 570284566 /nfs/dbraw/zinc/28/45/66/570284566.db2.gz NLRFQXHFRTWCKB-SFHVURJKSA-N 0 0 391.464 3.054 50 0 GGAARN COc1ccc(OC)c(NC(=O)CCc2c(C)c3ccc(O)cc3oc2=O)c1 ZINC000012900285 570287955 /nfs/dbraw/zinc/28/79/55/570287955.db2.gz OQAWRSLTVFVTOP-UHFFFAOYSA-N 0 0 383.400 3.396 50 0 biogenic GGAARN COc1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1 ZINC000012901533 570288568 /nfs/dbraw/zinc/28/85/68/570288568.db2.gz JWAOFDHKDBPXDH-UHFFFAOYSA-N 0 0 393.443 3.149 50 0 biogenic GGAARN Cc1nn(C)c(C)c1-c1cc(C(=O)NCc2csc3c2CCCC3)n(C)n1 ZINC000215621832 570290452 /nfs/dbraw/zinc/29/04/52/570290452.db2.gz OSBQCFFHJOMKGJ-UHFFFAOYSA-N 0 0 383.521 3.308 50 0 GGAARN Cn1c(CNC(=O)[C@@H](O)c2ccc(F)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000215713523 570290975 /nfs/dbraw/zinc/29/09/75/570290975.db2.gz UJNIPTPPVQISSG-INIZCTEOSA-N 0 0 381.329 3.081 50 0 GGAARN Cn1c2nnc(SCC(=O)c3ccccc3)n2c2sc3c(c2c1=O)CCC3 ZINC000004823430 570291167 /nfs/dbraw/zinc/29/11/67/570291167.db2.gz JDKBYOAXMRIAPY-UHFFFAOYSA-N 0 0 396.497 3.106 50 0 GGAARN O=C(CC1=CSC2=NCCCN12)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000102713643 570291433 /nfs/dbraw/zinc/29/14/33/570291433.db2.gz RJJNKLGFYBJDIA-CQSZACIVSA-N 0 0 381.505 3.309 50 0 GGAARN CCn1cc(Cl)c(C(=O)N(Cc2ccc(OC)cc2)C[C@@H]2CCCO2)n1 ZINC000215879784 570292830 /nfs/dbraw/zinc/29/28/30/570292830.db2.gz ZVQSTABQZHMXGO-INIZCTEOSA-N 0 0 377.872 3.386 50 0 GGAARN CCN(CCOc1ccccc1F)C(=O)C[C@H]1C(=O)Nc2cc(OC)ccc21 ZINC000102861877 570293064 /nfs/dbraw/zinc/29/30/64/570293064.db2.gz HNLHQPYVPPZMKG-MRXNPFEDSA-N 0 0 386.423 3.188 50 0 GGAARN O=C([C@@H]1CCOC1)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000215896398 570293185 /nfs/dbraw/zinc/29/31/85/570293185.db2.gz WGGFWPVSOCTGGD-GOSISDBHSA-N 0 0 379.460 3.125 50 0 GGAARN O=C(c1cccc(S(=O)(=O)N(Cc2ccccc2)CC2CC2)c1)N1CCC1 ZINC000215910842 570293279 /nfs/dbraw/zinc/29/32/79/570293279.db2.gz XOAPATYMXZDLCX-UHFFFAOYSA-N 0 0 384.501 3.133 50 0 GGAARN COc1ccc(-c2noc(C(=O)NCCc3c[nH]c4ccccc34)n2)cc1OC ZINC000012296661 570294313 /nfs/dbraw/zinc/29/43/13/570294313.db2.gz UGLVLZNDCWMFPJ-UHFFFAOYSA-N 0 0 392.415 3.208 50 0 biogenic GGAARN Cc1c2cc(F)ccc2n(C)c1C(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1 ZINC000216231917 570297066 /nfs/dbraw/zinc/29/70/66/570297066.db2.gz YEGDRKFKWGTBJU-IBGZPJMESA-N 0 0 383.398 3.078 50 0 GGAARN COCCN(Cc1cnn(C)c1)C(=O)Cc1coc2cc(C)c(Cl)cc12 ZINC000216218739 570297073 /nfs/dbraw/zinc/29/70/73/570297073.db2.gz SXXAITPNLDQUTH-UHFFFAOYSA-N 0 0 375.856 3.346 50 0 GGAARN CC(=O)N1CCN(C(=O)Nc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000216337209 570299201 /nfs/dbraw/zinc/29/92/01/570299201.db2.gz XMAAXPLHEXEHMW-UHFFFAOYSA-N 0 0 381.476 3.394 50 0 GGAARN COCCN(Cc1ccncc1)C(=O)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000216336182 570299362 /nfs/dbraw/zinc/29/93/62/570299362.db2.gz DBFCEQBJBVOFND-UHFFFAOYSA-N 0 0 378.432 3.298 50 0 GGAARN COc1ccccc1N1C[C@@H]2C[C@@H](c3cc(C(C)C)n[nH]3)N3CCC[C@@]23C1=O ZINC000012306739 570299602 /nfs/dbraw/zinc/29/96/02/570299602.db2.gz RGJZIHLDECBNPA-OHEPNIRZSA-N 0 0 380.492 3.484 50 0 GGAARN O=C(OCCN1CCOCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000021999791 570301216 /nfs/dbraw/zinc/30/12/16/570301216.db2.gz LDXSPUSKBDTEKA-UHFFFAOYSA-N 0 0 395.381 3.333 50 0 world GGAARN COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc(OC)c1OC(C)=O ZINC000000726906 570305597 /nfs/dbraw/zinc/30/55/97/570305597.db2.gz SOCWJIRKNNLIPT-NVNXTCNLSA-N 0 0 385.347 3.113 50 0 GGAARN COc1ccc(C(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1 ZINC000005259337 570306246 /nfs/dbraw/zinc/30/62/46/570306246.db2.gz QXBWREIPERRUPB-UHFFFAOYSA-N 0 0 390.443 3.241 50 0 GGAARN COc1ccc(OC)c([C@H]2NC(=O)NC(C)=C2C(=O)OCCc2ccccc2)c1 ZINC000000725573 570306677 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50 0 GGAARN CCn1c(SCC(=O)Nc2cc(F)cc(F)c2)nnc1-c1cccnc1 ZINC000032579494 570511809 /nfs/dbraw/zinc/51/18/09/570511809.db2.gz JRNLGMXIBKPKLU-UHFFFAOYSA-N 0 0 375.404 3.369 50 0 GGAARN O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc21 ZINC000007683687 570512264 /nfs/dbraw/zinc/51/22/64/570512264.db2.gz FHFKMTDTJHCOLX-SFHVURJKSA-N 0 0 390.892 3.082 50 0 GGAARN Cc1nc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)sc1C ZINC000007683974 570512419 /nfs/dbraw/zinc/51/24/19/570512419.db2.gz NBJBNMKCSSKRPK-UHFFFAOYSA-N 0 0 393.534 3.108 50 0 GGAARN Cc1cccc(-c2c3c(cn2Cc2ccc(F)cc2)n(C)c(=O)n(C)c3=O)c1 ZINC000005215789 570512700 /nfs/dbraw/zinc/51/27/00/570512700.db2.gz GCDLFKLTVPWPDX-UHFFFAOYSA-N 0 0 377.419 3.202 50 0 GGAARN COCc1cc([C@@H]2N[C@H](C(=O)OC)Cc3c4ccccc4[nH]c32)ccc1OC ZINC000036025458 570512715 /nfs/dbraw/zinc/51/27/15/570512715.db2.gz VJOXZFRTJOVHOR-ICSRJNTNSA-N 0 0 380.444 3.100 50 0 biogenic GGAARN COCc1cc([C@H]2N[C@@H](C(=O)OC)Cc3c4ccccc4[nH]c32)ccc1OC ZINC000036025456 570512720 /nfs/dbraw/zinc/51/27/20/570512720.db2.gz VJOXZFRTJOVHOR-UYAOXDASSA-N 0 0 380.444 3.100 50 0 biogenic GGAARN COc1ccc(-c2noc(CN(C)C(=O)COc3cccc(C)c3C)n2)cc1 ZINC000007721460 570513531 /nfs/dbraw/zinc/51/35/31/570513531.db2.gz OYBONCVAZXALRZ-UHFFFAOYSA-N 0 0 381.432 3.399 50 0 GGAARN COc1ccc(-c2noc(CN(C)C(=O)COc3ccc(C)c(C)c3)n2)cc1 ZINC000007759635 570514956 /nfs/dbraw/zinc/51/49/56/570514956.db2.gz OSAFUHCBJSXVDC-UHFFFAOYSA-N 0 0 381.432 3.399 50 0 GGAARN CC(C)(C)OC(=O)N1CCCN(Cc2nc(-c3cccc(F)c3)no2)CC1 ZINC000032918406 570515963 /nfs/dbraw/zinc/51/59/63/570515963.db2.gz ATZUJYKWWUTSCD-UHFFFAOYSA-N 0 0 376.432 3.319 50 0 GGAARN Cc1nn2c(nc(C(=O)N3CCN(C)CC3)cc2C(C)(C)C)c1-c1ccccc1 ZINC000032929409 570516516 /nfs/dbraw/zinc/51/65/16/570516516.db2.gz XXQMSAYJNFZORL-UHFFFAOYSA-N 0 0 391.519 3.390 50 0 GGAARN COC(=O)c1c2c(sc1NC(=O)c1ccc(S(C)(=O)=O)cc1)CCCC2 ZINC000005223275 570516607 /nfs/dbraw/zinc/51/66/07/570516607.db2.gz SNNUZOQLLHTLHL-UHFFFAOYSA-N 0 0 393.486 3.069 50 0 GGAARN CC(C)(C)OC(=O)N1CC2(C1)C[C@H](CO)CCN2C(=O)OCc1ccccc1 ZINC000382038679 570518782 /nfs/dbraw/zinc/51/87/82/570518782.db2.gz HJXKZFGSFOGCPG-QGZVFWFLSA-N 0 0 390.480 3.017 50 0 GGAARN C[C@H]1Cc2cccc3c2n1cc(C(=O)N1CCN(c2ccccc2F)CC1)c3=O ZINC000033088915 570520206 /nfs/dbraw/zinc/52/02/06/570520206.db2.gz IAEBYQQBSPQHPE-HNNXBMFYSA-N 0 0 391.446 3.220 50 0 GGAARN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccncc2)N(c2nccs2)C1=O ZINC000006660370 570521817 /nfs/dbraw/zinc/52/18/17/570521817.db2.gz QHJXRYIJJVMXGE-INIZCTEOSA-N 0 0 391.408 3.403 50 0 GGAARN O=C(NCc1nnnn1-c1cccc(F)c1)C(c1ccccc1)c1ccccc1 ZINC000010593603 570522068 /nfs/dbraw/zinc/52/20/68/570522068.db2.gz HHPPRWOWESEPQE-UHFFFAOYSA-N 0 0 387.418 3.250 50 0 GGAARN CCOC(=O)N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1 ZINC000033266334 570522110 /nfs/dbraw/zinc/52/21/10/570522110.db2.gz BDZHYWKXXVEYBZ-UHFFFAOYSA-N 0 0 385.855 3.328 50 0 GGAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NCc1cccnc1 ZINC000006658977 570522364 /nfs/dbraw/zinc/52/23/64/570522364.db2.gz FJYWRRXLYIYBMN-UHFFFAOYSA-N 0 0 398.846 3.415 50 0 GGAARN Cc1c(C)c2ccc(O[C@H](C)C(=O)NC[C@H](O)c3ccccc3)c(C)c2oc1=O ZINC000006658992 570522532 /nfs/dbraw/zinc/52/25/32/570522532.db2.gz CGPILXKXMVWRFI-APWZRJJASA-N 0 0 395.455 3.335 50 0 GGAARN Cc1c(C)c2ccc(O[C@H](C)C(=O)NC[C@@H](O)c3ccccc3)c(C)c2oc1=O ZINC000006658994 570522564 /nfs/dbraw/zinc/52/25/64/570522564.db2.gz CGPILXKXMVWRFI-VQIMIIECSA-N 0 0 395.455 3.335 50 0 GGAARN CCc1ccc(Nc2nnc([C@@H](NC(=O)c3ccccc3)C(=O)OC)s2)cc1 ZINC000606422381 570522632 /nfs/dbraw/zinc/52/26/32/570522632.db2.gz SZPJQLNOVFCDKC-MRXNPFEDSA-N 0 0 396.472 3.488 50 0 GGAARN CCCCOc1ccc(S(=O)(=O)NCCc2cn3ccc(C)cc3n2)cc1 ZINC000002961143 570522704 /nfs/dbraw/zinc/52/27/04/570522704.db2.gz YMVBRTZZIBAQIP-UHFFFAOYSA-N 0 0 387.505 3.343 50 0 GGAARN CCc1onc(C)c1[C@H]1CCCN1S(=O)(=O)c1cc(C)ccc1NC(C)=O ZINC000033270506 570522745 /nfs/dbraw/zinc/52/27/45/570522745.db2.gz AJNIVUBGBVPZRG-MRXNPFEDSA-N 0 0 391.493 3.338 50 0 GGAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000033270415 570522851 /nfs/dbraw/zinc/52/28/51/570522851.db2.gz HXISKGVBQLNTIP-KRWDZBQOSA-N 0 0 377.466 3.282 50 0 GGAARN Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NC[C@H](O)c3ccccc3)ccc12 ZINC000006659738 570523539 /nfs/dbraw/zinc/52/35/39/570523539.db2.gz NWLLMIPUEIJPHA-QAPCUYQASA-N 0 0 381.428 3.027 50 0 GGAARN Cc1c(O)ccc2c(C)c(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)oc12 ZINC000006660891 570524870 /nfs/dbraw/zinc/52/48/70/570524870.db2.gz HWCVHOCNEAQSEO-UHFFFAOYSA-N 0 0 392.455 3.007 50 0 GGAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(CCO)cc3)c(Cl)cc12 ZINC000006661087 570525017 /nfs/dbraw/zinc/52/50/17/570525017.db2.gz ONCJAJXYEBZRMD-UHFFFAOYSA-N 0 0 387.819 3.307 50 0 GGAARN COc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@@H](C(C)C)C2=O)cc1F ZINC000006661413 570525262 /nfs/dbraw/zinc/52/52/62/570525262.db2.gz YTKKYKNIBWXBKE-IBGZPJMESA-N 0 0 385.391 3.103 50 0 GGAARN CC(C)(C)NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000008246697 570525346 /nfs/dbraw/zinc/52/53/46/570525346.db2.gz GCCLMJGLZACKLP-UHFFFAOYSA-N 0 0 397.475 3.299 50 0 GGAARN COc1ccc(CCn2cnc3c(cnn3-c3ccc(C)cc3)c2=O)cc1OC ZINC000006661493 570525449 /nfs/dbraw/zinc/52/54/49/570525449.db2.gz ZFMPCHOTKZKVKD-UHFFFAOYSA-N 0 0 390.443 3.151 50 0 GGAARN CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3ccccn3)c(Cl)cc12 ZINC000005243716 570525965 /nfs/dbraw/zinc/52/59/65/570525965.db2.gz IIEFQUWDVZVATM-GFCCVEGCSA-N 0 0 386.835 3.488 50 0 GGAARN COc1ccc(-c2nc3c4cnn(-c5ccccc5Cl)c4ncn3n2)c(O)c1 ZINC000005243392 570526062 /nfs/dbraw/zinc/52/60/62/570526062.db2.gz YREIDSMQUDNCPE-UHFFFAOYSA-N 0 0 392.806 3.498 50 0 GGAARN COc1ccc(C2=NO[C@]3(CC(=O)N(c4c(C)cccc4C)C3=O)C2)cc1OC ZINC000005243529 570526176 /nfs/dbraw/zinc/52/61/76/570526176.db2.gz HZZIVZCOBBMYII-QFIPXVFZSA-N 0 0 394.427 3.147 50 0 GGAARN CC1(C)CC(=O)c2c(O)cc(OCC(=O)Nc3ccc(F)cc3F)cc2O1 ZINC000006662741 570526293 /nfs/dbraw/zinc/52/62/93/570526293.db2.gz IVJOHNGNMTXWHL-UHFFFAOYSA-N 0 0 377.343 3.432 50 0 GGAARN COc1cccc(N2C[C@@H](C(=O)NCCc3c[nH]c4ccc(C)cc34)CC2=O)c1 ZINC000008261591 570526616 /nfs/dbraw/zinc/52/66/16/570526616.db2.gz TZTFCHHRXRCXRE-KRWDZBQOSA-N 0 0 391.471 3.197 50 0 GGAARN COc1cccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(C)C2)c1 ZINC000006665407 570526956 /nfs/dbraw/zinc/52/69/56/570526956.db2.gz RDUJYWJLOGPTEJ-INIZCTEOSA-N 0 0 379.460 3.460 50 0 GGAARN O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc2c(c1)OCCO2 ZINC000005245538 570527044 /nfs/dbraw/zinc/52/70/44/570527044.db2.gz HRGHNXNQGNSQKH-UHFFFAOYSA-N 0 0 393.443 3.367 50 0 GGAARN COc1ccc(OC)c(N2C[C@@H](C(=O)NCc3ccccc3Cl)CC2=O)c1 ZINC000008269177 570527054 /nfs/dbraw/zinc/52/70/54/570527054.db2.gz NHDGGBCIWYBUST-AWEZNQCLSA-N 0 0 388.851 3.027 50 0 GGAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1/C=C1/OC(=O)c2c1cc(C)[nH]c2=O ZINC000006668702 570527250 /nfs/dbraw/zinc/52/72/50/570527250.db2.gz BRMCDUYIVBUHHD-CXUHLZMHSA-N 0 0 394.383 3.018 50 0 GGAARN Nn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1 ZINC000005257235 570527319 /nfs/dbraw/zinc/52/73/19/570527319.db2.gz LIOVGMBOUIEYRW-UHFFFAOYSA-N 0 0 393.394 3.409 50 0 GGAARN COc1ccccc1-c1nnc(SCC(=O)c2ccc(NC(C)=O)cc2)n1C ZINC000008297931 570527412 /nfs/dbraw/zinc/52/74/12/570527412.db2.gz NPLOQADTWRTVGE-UHFFFAOYSA-N 0 0 396.472 3.424 50 0 GGAARN CN1CCN(c2ccc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)nn2)CC1 ZINC000005259413 570527747 /nfs/dbraw/zinc/52/77/47/570527747.db2.gz BPHMGPUWITVNPH-UHFFFAOYSA-N 0 0 391.450 3.287 50 0 GGAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCCC[C@@H]2C)c2ccccc21 ZINC000003007536 570527871 /nfs/dbraw/zinc/52/78/71/570527871.db2.gz ZABFKFKFMRGJFM-INIZCTEOSA-N 0 0 383.492 3.093 50 0 GGAARN COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F ZINC000003024585 570528561 /nfs/dbraw/zinc/52/85/61/570528561.db2.gz SHAVUBSOKACZBJ-UHFFFAOYSA-N 0 0 392.452 3.261 50 0 GGAARN CCOc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@@H](C(C)C)C2=O)cc1 ZINC000006670247 570528707 /nfs/dbraw/zinc/52/87/07/570528707.db2.gz OUNZJNHRDXYAIQ-FQEVSTJZSA-N 0 0 381.428 3.354 50 0 GGAARN CCCCCNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000003015383 570528916 /nfs/dbraw/zinc/52/89/16/570528916.db2.gz ABJBBVLKTQDCOP-UHFFFAOYSA-N 0 0 383.492 3.143 50 0 GGAARN O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1cccc(F)c1 ZINC000005259348 570529825 /nfs/dbraw/zinc/52/98/25/570529825.db2.gz UPZRDKMNCKUQAR-UHFFFAOYSA-N 0 0 378.407 3.372 50 0 GGAARN CCOC(=O)CCNC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000005256106 570530958 /nfs/dbraw/zinc/53/09/58/570530958.db2.gz FJMKRORNYNWMGR-GOSISDBHSA-N 0 0 375.856 3.209 50 0 GGAARN NC(=O)CC[C@H]([NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000034194589 570531909 /nfs/dbraw/zinc/53/19/09/570531909.db2.gz YYDGZQRGAMRHNE-NRFANRHFSA-N 0 0 388.467 3.287 50 0 GGAARN Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C4(C)OCCO4)c3)CC2=O)cc1 ZINC000008473831 570532447 /nfs/dbraw/zinc/53/24/47/570532447.db2.gz WWAQFESWBRQMPB-MRXNPFEDSA-N 0 0 380.444 3.206 50 0 GGAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 ZINC000008550316 570533756 /nfs/dbraw/zinc/53/37/56/570533756.db2.gz HIYFEZPBWRJYEM-OAHLLOKOSA-N 0 0 390.505 3.478 50 0 GGAARN CN(C)C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1 ZINC000001129587 570534799 /nfs/dbraw/zinc/53/47/99/570534799.db2.gz VGQNNZAKPVUEGN-UHFFFAOYSA-N 0 0 392.891 3.296 50 0 GGAARN COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC(=O)c1cccnc1 ZINC000001130301 570534822 /nfs/dbraw/zinc/53/48/22/570534822.db2.gz MLOZXLARSGXAJI-UHFFFAOYSA-N 0 0 397.456 3.452 50 0 GGAARN O=S(=O)(NCc1ccco1)c1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000001136176 570534965 /nfs/dbraw/zinc/53/49/65/570534965.db2.gz WCFMNSTVFVJCTR-UHFFFAOYSA-N 0 0 381.413 3.475 50 0 GGAARN CCOC(=O)C1=NN(C(=O)c2cccc(C)c2)[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000001213672 570535230 /nfs/dbraw/zinc/53/52/30/570535230.db2.gz MQFOBXFNTMRBCI-FQEVSTJZSA-N 0 0 386.835 3.259 50 0 GGAARN COc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)cc1 ZINC000008662590 570536315 /nfs/dbraw/zinc/53/63/15/570536315.db2.gz MTEPBXMJNVWRSB-LOHFZDIYSA-N 0 0 388.423 3.259 50 0 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COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)NC1CC1 ZINC000012062295 570603874 /nfs/dbraw/zinc/60/38/74/570603874.db2.gz QEPKQSCHRFLIDR-UHFFFAOYSA-N 0 0 397.500 3.495 50 0 GGAARN O=C(COc1ncnc2ccccc21)N1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000012076446 570605247 /nfs/dbraw/zinc/60/52/47/570605247.db2.gz BVNYNZCVFZLXJG-KRWDZBQOSA-N 0 0 380.423 3.251 50 0 GGAARN COc1cccc(CNc2ncnc3sc(C(=O)N[C@@H]4CCOC4)c(C)c32)c1 ZINC000012079425 570605579 /nfs/dbraw/zinc/60/55/79/570605579.db2.gz JBUJKFAZRYUUIA-CQSZACIVSA-N 0 0 398.488 3.139 50 0 GGAARN CC1=C(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)OCCO1 ZINC000012091204 570607771 /nfs/dbraw/zinc/60/77/71/570607771.db2.gz INRBWSLKZOBJPN-QGZVFWFLSA-N 0 0 385.439 3.419 50 0 GGAARN CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCC(C)CC1 ZINC000005478063 570608096 /nfs/dbraw/zinc/60/80/96/570608096.db2.gz HKCNNXQBKUYTBT-UHFFFAOYSA-N 0 0 387.480 3.414 50 0 GGAARN O=c1c2cccnc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccc(F)cc1 ZINC000006805115 570608435 /nfs/dbraw/zinc/60/84/35/570608435.db2.gz 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/nfs/dbraw/zinc/61/57/67/570615767.db2.gz SQKTYBWHCMPWRJ-QGZVFWFLSA-N 0 0 393.892 3.178 50 0 GGAARN COc1ccc(CCNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)cc1OC ZINC000006811332 570616099 /nfs/dbraw/zinc/61/60/99/570616099.db2.gz XWAGBYQTXAOYOH-UHFFFAOYSA-N 0 0 381.428 3.400 50 0 GGAARN CCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1F)S2 ZINC000006811760 570616229 /nfs/dbraw/zinc/61/62/29/570616229.db2.gz YJXYOMQIUTWNPM-IAGOWNOFSA-N 0 0 383.452 3.377 50 0 GGAARN CCc1nnc2n1N[C@@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000006811827 570616678 /nfs/dbraw/zinc/61/66/78/570616678.db2.gz GYEDJEIERMAILW-ROUUACIJSA-N 0 0 395.488 3.247 50 0 GGAARN O=C(CC1CCCCC1)N1CCC[C@@H]2CN(C(=O)C3CCOCC3)CC[C@@H]21 ZINC000012149699 570618174 /nfs/dbraw/zinc/61/81/74/570618174.db2.gz WXUATGXOIJDRME-UXHICEINSA-N 0 0 376.541 3.223 50 0 GGAARN O=C(c1cc2ccccc2oc1=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000004088298 570618645 /nfs/dbraw/zinc/61/86/45/570618645.db2.gz VICQMPKHJZWDAQ-UHFFFAOYSA-N 0 0 391.452 3.365 50 0 GGAARN COc1cccc(CC2=NO[C@H](C(=O)N[C@H](c3ccccn3)C(F)(F)F)C2)c1 ZINC000012165057 570619530 /nfs/dbraw/zinc/61/95/30/570619530.db2.gz NLOIFFBXJIPFFD-DLBZAZTESA-N 0 0 393.365 3.197 50 0 GGAARN O=C(NC[C@H]1Cc2cc(-c3ccsc3)cc(Cl)c2O1)c1cc[n+]([O-])cc1 ZINC000012190201 570621737 /nfs/dbraw/zinc/62/17/37/570621737.db2.gz WTMYBQNYLPOITK-MRXNPFEDSA-N 0 0 386.860 3.435 50 0 GGAARN COc1ccc(-c2cc3c(=O)n(Cc4cccc(F)c4)ccn3n2)cc1OC ZINC000064977537 570622288 /nfs/dbraw/zinc/62/22/88/570622288.db2.gz NHCXQTZEJPYDEF-UHFFFAOYSA-N 0 0 379.391 3.368 50 0 GGAARN CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cccc(Cl)c1)CC2 ZINC000012190982 570622295 /nfs/dbraw/zinc/62/22/95/570622295.db2.gz PPRGWOYVHJZXFI-GOSISDBHSA-N 0 0 389.931 3.213 50 0 GGAARN Cc1ccccc1[C@]1(CC(=O)N2CCCCC2)CC(=O)N(C2CCCC2)C1=O ZINC000012201592 570624325 /nfs/dbraw/zinc/62/43/25/570624325.db2.gz YSJRSJDNTCLVOM-QHCPKHFHSA-N 0 0 382.504 3.337 50 0 GGAARN Cc1c(CC(=O)NC[C@@H]2CCCOC2)c2c(n1Cc1ccccc1)CCCC2=O ZINC000012200545 570624381 /nfs/dbraw/zinc/62/43/81/570624381.db2.gz IRKIJKMDISDMFX-IBGZPJMESA-N 0 0 394.515 3.449 50 0 GGAARN CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(C(=O)Cn2cccn2)C1 ZINC000012202097 570625051 /nfs/dbraw/zinc/62/50/51/570625051.db2.gz HRPZYZIBGQNCGC-NOUTYMABSA-N 0 0 381.476 3.159 50 0 GGAARN O=C(Nc1ccc(F)cc1)c1c(O)c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000005522328 570625868 /nfs/dbraw/zinc/62/58/68/570625868.db2.gz SEBQXNRJHSPQFQ-UHFFFAOYSA-N 0 0 382.391 3.465 50 0 GGAARN Cc1noc(-c2sccc2NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)n1 ZINC000207959277 570626074 /nfs/dbraw/zinc/62/60/74/570626074.db2.gz JDVQCPJNOMHGCU-LLVKDONJSA-N 0 0 386.408 3.237 50 0 GGAARN O=C(CCc1ccco1)N1CCC[C@H]1C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000012210011 570626603 /nfs/dbraw/zinc/62/66/03/570626603.db2.gz SDWYYIWVAOPNAY-IBGZPJMESA-N 0 0 378.432 3.028 50 0 GGAARN O=C(CCc1nnc(CCCCc2ccccc2)o1)N1CCCC[C@@H]1CCO ZINC000012207398 570626681 /nfs/dbraw/zinc/62/66/81/570626681.db2.gz IDXCKOUYHZFKQM-LJQANCHMSA-N 0 0 385.508 3.331 50 0 GGAARN O=C(CCC1=NNC(=O)CC1)N1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000012212290 570627097 /nfs/dbraw/zinc/62/70/97/570627097.db2.gz JJSAMRNRKYXNNU-FQEVSTJZSA-N 0 0 377.444 3.195 50 0 GGAARN CC(C)c1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)nc(N)n1 ZINC000012224428 570628447 /nfs/dbraw/zinc/62/84/47/570628447.db2.gz NOVLKAKBDJVPDJ-MRXNPFEDSA-N 0 0 385.487 3.058 50 0 GGAARN Cc1c(C(=O)NCCc2ccncc2)cnn1-c1nccc(-c2cccs2)n1 ZINC000012246865 570631164 /nfs/dbraw/zinc/63/11/64/570631164.db2.gz UUEBPOULSQYQNO-UHFFFAOYSA-N 0 0 390.472 3.067 50 0 GGAARN COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000012274349 570631391 /nfs/dbraw/zinc/63/13/91/570631391.db2.gz QJUJVCUXIYSVKF-NSHDSACASA-N 0 0 389.868 3.444 50 0 GGAARN Cc1ccc(-c2csc3c2[nH]c(N2CCC4(CC2)OCCO4)nc3=O)cc1 ZINC000044167969 570631980 /nfs/dbraw/zinc/63/19/80/570631980.db2.gz NEVOGOQOJZRROA-UHFFFAOYSA-N 0 0 383.473 3.303 50 0 biogenic GGAARN CCc1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(C)ccc2O1 ZINC000064988464 570632267 /nfs/dbraw/zinc/63/22/67/570632267.db2.gz UXDXQKHUGSEUAT-LJQANCHMSA-N 0 0 388.489 3.113 50 0 GGAARN Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@H](C(=O)Nc1cccc(Cl)c1)O2 ZINC000064988473 570632277 /nfs/dbraw/zinc/63/22/77/570632277.db2.gz UZWINCQBDQXRRD-QGZVFWFLSA-N 0 0 394.880 3.204 50 0 GGAARN O=C(O[C@@H]1CCOC1=O)c1cn(-c2cccc(Cl)c2)c(=O)c2ccccc12 ZINC000044168181 570632205 /nfs/dbraw/zinc/63/22/05/570632205.db2.gz OKYFVXJNKYNFGX-QGZVFWFLSA-N 0 0 383.787 3.116 50 0 GGAARN CC1(C)C[C@@H](C(=O)N2CCC[C@@H]3CN(C(=O)c4ccccc4)CC[C@@H]32)CCO1 ZINC000012279132 570632321 /nfs/dbraw/zinc/63/23/21/570632321.db2.gz WWCAGZWXLSRWNO-ZCNNSNEGSA-N 0 0 384.520 3.345 50 0 GGAARN O=C(CC[C@]1(Cc2cccs2)CCC(=O)N1)NC[C@@H]1OCCc2ccccc21 ZINC000012280032 570632326 /nfs/dbraw/zinc/63/23/26/570632326.db2.gz QLUVOVSJZSVHNU-SIKLNZKXSA-N 0 0 398.528 3.150 50 0 GGAARN Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)Nc1c(C)cccc1C)O2 ZINC000064988455 570632302 /nfs/dbraw/zinc/63/23/02/570632302.db2.gz DXSAGFJBMUWGOQ-SFHVURJKSA-N 0 0 388.489 3.168 50 0 GGAARN C[C@]1(CCC(=O)NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)CCC(=O)N1 ZINC000012281227 570632479 /nfs/dbraw/zinc/63/24/79/570632479.db2.gz QDSWCWFAXZDTQY-XZOQPEGZSA-N 0 0 386.536 3.469 50 0 GGAARN C[C@@]1(CCC(=O)NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)CCC(=O)N1 ZINC000012281229 570632515 /nfs/dbraw/zinc/63/25/15/570632515.db2.gz QDSWCWFAXZDTQY-DHIUTWEWSA-N 0 0 386.536 3.469 50 0 GGAARN O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)NC[C@H]1OCCc2ccccc21 ZINC000012280033 570632521 /nfs/dbraw/zinc/63/25/21/570632521.db2.gz QLUVOVSJZSVHNU-KNQAVFIVSA-N 0 0 398.528 3.150 50 0 GGAARN CCc1ccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 ZINC000064988533 570633038 /nfs/dbraw/zinc/63/30/38/570633038.db2.gz USYVYJXFZXHXNY-LJQANCHMSA-N 0 0 388.489 3.113 50 0 GGAARN Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccc(C)n2)cc1 ZINC000012297807 570634276 /nfs/dbraw/zinc/63/42/76/570634276.db2.gz PHQJWRZGBCTXFV-HXUWFJFHSA-N 0 0 389.459 3.127 50 0 GGAARN O=C(NCCc1ccccc1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000012297746 570634400 /nfs/dbraw/zinc/63/44/00/570634400.db2.gz JOFMUHJMTMYPQS-UHFFFAOYSA-N 0 0 392.499 3.439 50 0 GGAARN COC(=O)c1cccc(C(=O)N2CCC[C@](CO)(CCOc3ccccc3)C2)c1 ZINC000012298533 570634732 /nfs/dbraw/zinc/63/47/32/570634732.db2.gz HHVKAQGRUFKALU-QHCPKHFHSA-N 0 0 397.471 3.157 50 0 GGAARN Cc1nc2cc(OCc3cc(C(=O)NCc4cccnc4)no3)ccc2s1 ZINC000012298170 570634885 /nfs/dbraw/zinc/63/48/85/570634885.db2.gz BNZAJZOCMIUTAO-UHFFFAOYSA-N 0 0 380.429 3.497 50 0 GGAARN Cc1cnc(CNC(=O)C[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cn1 ZINC000012298892 570634917 /nfs/dbraw/zinc/63/49/17/570634917.db2.gz BUMLUKFCOANDAI-IBGZPJMESA-N 0 0 375.428 3.352 50 0 GGAARN CCN(CCn1cccn1)C(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000012298099 570634927 /nfs/dbraw/zinc/63/49/27/570634927.db2.gz VZWMNTQOTRGIPV-UHFFFAOYSA-N 0 0 391.431 3.161 50 0 GGAARN NC(=O)COc1ccc([C@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)cc1 ZINC000036353770 570635198 /nfs/dbraw/zinc/63/51/98/570635198.db2.gz XCNIROCFCXULIT-CQSZACIVSA-N 0 0 386.477 3.121 50 0 GGAARN COc1ccc(-c2cn3c(C(=O)N4CCC[C@@H](OC)C4)csc3n2)cc1F ZINC000012300171 570635864 /nfs/dbraw/zinc/63/58/64/570635864.db2.gz CFMKHLPPJBCANC-CYBMUJFWSA-N 0 0 389.452 3.462 50 0 GGAARN CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ccnn2C)C1 ZINC000012301742 570636336 /nfs/dbraw/zinc/63/63/36/570636336.db2.gz AHVPWQGGTKKBSE-HXUWFJFHSA-N 0 0 389.883 3.102 50 0 GGAARN Cc1ncc(CN2CCC[C@H]2C(=O)Nc2ccc(-c3cscn3)cc2)n1C ZINC000012302929 570637139 /nfs/dbraw/zinc/63/71/39/570637139.db2.gz DORGWZSFEIPNAE-IBGZPJMESA-N 0 0 381.505 3.455 50 0 GGAARN Cc1nc2ccccc2n1Cc1cc(C(=O)NCc2nc3ccccc3o2)[nH]n1 ZINC000012302316 570637272 /nfs/dbraw/zinc/63/72/72/570637272.db2.gz HSUWVKLYCSGRPW-UHFFFAOYSA-N 0 0 386.415 3.187 50 0 GGAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3nc(N4CCOCC4)sc32)c1 ZINC000036357173 570637485 /nfs/dbraw/zinc/63/74/85/570637485.db2.gz SUALKYLCBRELQJ-ZDUSSCGKSA-N 0 0 375.450 3.121 50 0 GGAARN COc1ccc([C@@H]2CC(=O)Nc3nc(N4CCOCC4)sc32)cc1OC ZINC000036357146 570637502 /nfs/dbraw/zinc/63/75/02/570637502.db2.gz AGKFDGLTVLXLTG-LBPRGKRZSA-N 0 0 375.450 3.121 50 0 GGAARN O=C(CCC1CCN(C(=O)C2=CCCC2)CC1)N1CCN(c2ccccc2)CC1 ZINC000012304255 570637574 /nfs/dbraw/zinc/63/75/74/570637574.db2.gz IBKPSKBBIOYKMG-UHFFFAOYSA-N 0 0 395.547 3.464 50 0 GGAARN COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)NC(C)(C)C)o2)n1 ZINC000036357128 570637542 /nfs/dbraw/zinc/63/75/42/570637542.db2.gz GIVKZIMQFSZMIJ-UHFFFAOYSA-N 0 0 377.422 3.082 50 0 GGAARN c1ccc(OCc2noc(CN3CCC[C@@H](OCc4cccnc4)C3)n2)cc1 ZINC000012304266 570638147 /nfs/dbraw/zinc/63/81/47/570638147.db2.gz RKZBFIWTYNDATK-LJQANCHMSA-N 0 0 380.448 3.225 50 0 GGAARN COc1ccc(CC(=O)N2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)cc1 ZINC000012305207 570638305 /nfs/dbraw/zinc/63/83/05/570638305.db2.gz JVXNPYGJDCZXHK-SFHVURJKSA-N 0 0 382.460 3.112 50 0 GGAARN O=C(Cc1cccnc1)N1CC[C@@]2(C1)CCCN(CCC1CCCCC1)C2=O ZINC000012305841 570638544 /nfs/dbraw/zinc/63/85/44/570638544.db2.gz QAVDOZHNBBOURE-HSZRJFAPSA-N 0 0 383.536 3.436 50 0 GGAARN COc1ccc(CCNC(=O)c2cc(C3CC3)nc3onc(C)c32)cc1OC ZINC000036358286 570638910 /nfs/dbraw/zinc/63/89/10/570638910.db2.gz NIUGKVPBRPFLNP-UHFFFAOYSA-N 0 0 381.432 3.398 50 0 GGAARN Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@H]1CCCN(Cc2ccccn2)C1 ZINC000012306957 570639377 /nfs/dbraw/zinc/63/93/77/570639377.db2.gz ZNBQTTGKMIQGNN-IBGZPJMESA-N 0 0 375.476 3.175 50 0 GGAARN O=C(CCc1ccncc1)N1CC[C@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000012307773 570639718 /nfs/dbraw/zinc/63/97/18/570639718.db2.gz OFMOFDGFTOVFRL-QHCPKHFHSA-N 0 0 383.536 3.436 50 0 GGAARN CCOC(=O)c1n[nH]cc1CN1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012307350 570639784 /nfs/dbraw/zinc/63/97/84/570639784.db2.gz SOBHAAUVASPMGY-QGZVFWFLSA-N 0 0 399.491 3.469 50 0 GGAARN Cn1cc(CN2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)cn1 ZINC000012307405 570639889 /nfs/dbraw/zinc/63/98/89/570639889.db2.gz GFUMOXPATXUMPC-IBGZPJMESA-N 0 0 377.448 3.211 50 0 GGAARN CCCOc1ccccc1C(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000005557161 570640215 /nfs/dbraw/zinc/64/02/15/570640215.db2.gz SMUGVMILYSUFCD-GOSISDBHSA-N 0 0 387.501 3.305 50 0 GGAARN Cc1ccccc1N1CCN(c2ncccc2CNC(=O)c2ccoc2)CC1 ZINC000012308920 570640320 /nfs/dbraw/zinc/64/03/20/570640320.db2.gz GPCUXDGJMHTCHB-UHFFFAOYSA-N 0 0 376.460 3.240 50 0 GGAARN O=C(NCc1ccco1)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000012314544 570640674 /nfs/dbraw/zinc/64/06/74/570640674.db2.gz RZCAURKMFJYRMH-NRFANRHFSA-N 0 0 385.439 3.143 50 0 GGAARN COC(=O)C1CCN(C(=O)c2csc3nc(-c4cccc(F)c4)cn23)CC1 ZINC000012314240 570640694 /nfs/dbraw/zinc/64/06/94/570640694.db2.gz ZOXBXUXVMLVGNA-UHFFFAOYSA-N 0 0 387.436 3.227 50 0 GGAARN CC(C)NC(=O)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(C)C ZINC000012389874 570640727 /nfs/dbraw/zinc/64/07/27/570640727.db2.gz APUHNJXTCHDJDL-KRWDZBQOSA-N 0 0 384.505 3.366 50 0 GGAARN COc1ccc(CCNC(=O)c2cc(=O)c(OCc3ccccc3F)co2)cc1 ZINC000036359255 570640926 /nfs/dbraw/zinc/64/09/26/570640926.db2.gz MQAAPXFGXFACCP-UHFFFAOYSA-N 0 0 397.402 3.339 50 0 GGAARN COc1ccc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)cc1Cl ZINC000044902726 570641246 /nfs/dbraw/zinc/64/12/46/570641246.db2.gz SWAFCAQKAUQDJR-UHFFFAOYSA-N 0 0 387.798 3.350 50 0 GGAARN O=C(CCCCCn1nnc2ccccc2c1=O)Nc1cc(Cl)ccc1O ZINC000036360154 570641934 /nfs/dbraw/zinc/64/19/34/570641934.db2.gz ZYAHKCVZBMVGEH-UHFFFAOYSA-N 0 0 386.839 3.350 50 0 GGAARN CCCCN(C)C(=O)c1nc2ccccn2c1CN(CCO)Cc1ccccc1 ZINC000012317046 570641962 /nfs/dbraw/zinc/64/19/62/570641962.db2.gz QBURPLUBGYEUIY-UHFFFAOYSA-N 0 0 394.519 3.201 50 0 GGAARN CC(=O)c1cccc(OCc2cc(C(=O)N[C@@H](C)Cc3cccnc3)no2)c1 ZINC000012318789 570642438 /nfs/dbraw/zinc/64/24/38/570642438.db2.gz CHAZIDRTBNIPNG-AWEZNQCLSA-N 0 0 379.416 3.212 50 0 GGAARN O=C(c1cc(COc2ccccc2)[nH]n1)N1CCC(O)(c2ccccc2)CC1 ZINC000012317738 570642448 /nfs/dbraw/zinc/64/24/48/570642448.db2.gz ZQGZOWOEMDOPTE-UHFFFAOYSA-N 0 0 377.444 3.113 50 0 GGAARN O=C(CC[C@H]1CCCN(C(=O)CCc2cccnc2)C1)NCc1ccccc1F ZINC000012317950 570642489 /nfs/dbraw/zinc/64/24/89/570642489.db2.gz RHGXJLKQACBBFT-LJQANCHMSA-N 0 0 397.494 3.489 50 0 GGAARN CCn1ccnc1CNC(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000012317702 570642503 /nfs/dbraw/zinc/64/25/03/570642503.db2.gz XAEABSIGPDAPJD-GOSISDBHSA-N 0 0 377.444 3.470 50 0 GGAARN CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccnc2Cl)c1 ZINC000012324500 570642624 /nfs/dbraw/zinc/64/26/24/570642624.db2.gz ZDHAOKHDYCBZQI-UHFFFAOYSA-N 0 0 389.839 3.001 50 0 GGAARN O=C(CCS[C@@H]1CCc2ccccc2NC1=O)Nc1ccc2c(c1)OCO2 ZINC000012390518 570642854 /nfs/dbraw/zinc/64/28/54/570642854.db2.gz XEOATMUEUBFYAE-GOSISDBHSA-N 0 0 384.457 3.431 50 0 GGAARN COc1cccc2c(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc(C)nc12 ZINC000012325143 570642917 /nfs/dbraw/zinc/64/29/17/570642917.db2.gz NLBXALZNSOHYLG-UHFFFAOYSA-N 0 0 389.411 3.458 50 0 GGAARN Cc1ccc(OCc2cc(C(=O)NC[C@H]3OCCc4ccccc43)no2)cn1 ZINC000012319814 570642940 /nfs/dbraw/zinc/64/29/40/570642940.db2.gz RIGAQGGEKIDODR-HXUWFJFHSA-N 0 0 379.416 3.001 50 0 GGAARN CC(=O)Nc1ccccc1OCc1noc(C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000036360795 570643118 /nfs/dbraw/zinc/64/31/18/570643118.db2.gz CRRADSGUDHOHRG-ZDUSSCGKSA-N 0 0 380.404 3.098 50 0 GGAARN CC(C)c1nnc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)s1 ZINC000044918547 570643370 /nfs/dbraw/zinc/64/33/70/570643370.db2.gz YPMDLECSLNYUIO-UHFFFAOYSA-N 0 0 389.868 3.177 50 0 GGAARN COc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4nnc5ccccn54)C3)cc21 ZINC000012390774 570643394 /nfs/dbraw/zinc/64/33/94/570643394.db2.gz ROFYUYNSSQDSNK-CQSZACIVSA-N 0 0 375.432 3.239 50 0 GGAARN O=C(NCc1cccs1)C1CCN(C(=O)N2CCOc3ccccc32)CC1 ZINC000006842174 570643699 /nfs/dbraw/zinc/64/36/99/570643699.db2.gz TZMATQWAUUIMFQ-UHFFFAOYSA-N 0 0 385.489 3.095 50 0 GGAARN O=C(CCCCCn1cnc2ccccc2c1=O)Nc1nnc(C2CC2)s1 ZINC000036365001 570645100 /nfs/dbraw/zinc/64/51/00/570645100.db2.gz RGGXLADYSQULNN-UHFFFAOYSA-N 0 0 383.477 3.325 50 0 GGAARN COc1ccc(CNC(=O)CC[C@]2(Cc3ccc(C)cc3)CCC(=O)N2)cc1 ZINC000012338151 570645221 /nfs/dbraw/zinc/64/52/21/570645221.db2.gz CMUSDSHLISQVRI-HSZRJFAPSA-N 0 0 380.488 3.292 50 0 GGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCc2ccccc2C1)CC3 ZINC000036368146 570645969 /nfs/dbraw/zinc/64/59/69/570645969.db2.gz PTYSWLXSYVXHFF-UHFFFAOYSA-N 0 0 375.472 3.120 50 0 biogenic GGAARN C[C@H](Cn1cncn1)NC(=O)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000012372865 570648174 /nfs/dbraw/zinc/64/81/74/570648174.db2.gz VSRGDSOURKGFLB-MRXNPFEDSA-N 0 0 389.459 3.413 50 0 GGAARN COc1ccccc1CN1C[C@H](C(=O)N(C)Cc2ccc(C)cc2)CCC1=O ZINC000012373089 570648325 /nfs/dbraw/zinc/64/83/25/570648325.db2.gz SWWAIDSIVSNPKA-HXUWFJFHSA-N 0 0 380.488 3.401 50 0 GGAARN Cc1cc(-c2nnc(CCC(=O)NCc3cccc(C(F)(F)F)c3)o2)no1 ZINC000012373300 570648734 /nfs/dbraw/zinc/64/87/34/570648734.db2.gz CFYKUUCDNRKVCC-UHFFFAOYSA-N 0 0 380.326 3.301 50 0 GGAARN Cc1noc(C)c1CCC(=O)N1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012373651 570648846 /nfs/dbraw/zinc/64/88/46/570648846.db2.gz OYDBZGDOHKKFCS-INIZCTEOSA-N 0 0 384.432 3.074 50 0 GGAARN CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)cc1 ZINC000012379647 570649490 /nfs/dbraw/zinc/64/94/90/570649490.db2.gz SOGVUJHMZPBZDJ-GFCCVEGCSA-N 0 0 389.814 3.429 50 0 GGAARN C[C@@H](NC(=O)c1nnn(Cc2ccccc2)c1-c1ccncc1)c1ccccn1 ZINC000206643230 570649729 /nfs/dbraw/zinc/64/97/29/570649729.db2.gz HTCOEYNBLYKRMG-MRXNPFEDSA-N 0 0 384.443 3.274 50 0 GGAARN CC(C)c1nnc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)s1 ZINC000012383144 570649949 /nfs/dbraw/zinc/64/99/49/570649949.db2.gz XKCTUXYYAFVIGB-UHFFFAOYSA-N 0 0 376.457 3.292 50 0 GGAARN O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN1Cc1cc2ccccc2o1 ZINC000012385453 570650371 /nfs/dbraw/zinc/65/03/71/570650371.db2.gz CNOYVFVTGLWBOX-IBGZPJMESA-N 0 0 388.431 3.012 50 0 GGAARN Cc1ccc(-c2noc(CCC(=O)NCc3ccccc3)n2)c(=O)n1C(C)C ZINC000046020589 570650439 /nfs/dbraw/zinc/65/04/39/570650439.db2.gz KBUGBAVZVZIHAY-UHFFFAOYSA-N 0 0 380.448 3.037 50 0 GGAARN O=C(COc1ccccc1)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012386398 570651318 /nfs/dbraw/zinc/65/13/18/570651318.db2.gz IJSQBTDUDAKDAN-HNNXBMFYSA-N 0 0 392.377 3.002 50 0 GGAARN Cc1nnsc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000012387530 570651780 /nfs/dbraw/zinc/65/17/80/570651780.db2.gz PVVCLJJOJARCHP-CYBMUJFWSA-N 0 0 375.404 3.118 50 0 GGAARN O=C(NC(c1ccccc1)c1ccccc1)c1cc(CN2CCC[C@@H](O)C2)on1 ZINC000012387661 570652150 /nfs/dbraw/zinc/65/21/50/570652150.db2.gz FMIITDFXAWPFMD-LJQANCHMSA-N 0 0 391.471 3.151 50 0 GGAARN O=C(CNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2C1)Nc1cccc(O)c1 ZINC000012390483 570652263 /nfs/dbraw/zinc/65/22/63/570652263.db2.gz CGGFKACVRCEFQA-UHFFFAOYSA-N 0 0 398.850 3.233 50 0 GGAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1cnn(C)c1)cc2C(F)F ZINC000012396261 570652815 /nfs/dbraw/zinc/65/28/15/570652815.db2.gz BQSFTNJYDOEOKS-UHFFFAOYSA-N 0 0 375.379 3.210 50 0 GGAARN COC(=O)c1cc(OCC(=O)Nc2cccc(OC)c2)c2cc(OC)ccc2n1 ZINC000065033158 570652826 /nfs/dbraw/zinc/65/28/26/570652826.db2.gz OWRCGQCBGMGLJI-UHFFFAOYSA-N 0 0 396.399 3.056 50 0 GGAARN Cc1cc(C)cc(OCC(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000012404301 570653093 /nfs/dbraw/zinc/65/30/93/570653093.db2.gz ISRTXBUFTCBKOA-IBGZPJMESA-N 0 0 382.460 3.230 50 0 GGAARN Cc1ccc(C(=O)NCc2nnc3cc(-c4nc(C5CC5)no4)ccn32)cc1C ZINC000169749853 570653264 /nfs/dbraw/zinc/65/32/64/570653264.db2.gz LNXOLTTXWBRCNA-UHFFFAOYSA-N 0 0 388.431 3.204 50 0 GGAARN CCSc1ncc(Cl)c(C(=O)NCCC(=O)Nc2ccc(OC)cc2)n1 ZINC000041156185 570653385 /nfs/dbraw/zinc/65/33/85/570653385.db2.gz KLOKAOZBOGPJLT-UHFFFAOYSA-N 0 0 394.884 3.009 50 0 GGAARN CC(C)N1C(=O)[C@@](NC(=O)c2cccs2)(C(F)(F)F)N=C1c1ccccc1 ZINC000012401561 570654185 /nfs/dbraw/zinc/65/41/85/570654185.db2.gz PWEBYUWCQORUCN-QGZVFWFLSA-N 0 0 395.406 3.434 50 0 GGAARN CNC(=O)c1cc(NC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)ccc1Cl ZINC000047815492 570654613 /nfs/dbraw/zinc/65/46/13/570654613.db2.gz ARFGRXJUNFTAHB-OAHLLOKOSA-N 0 0 377.876 3.133 50 0 GGAARN O=C(CNC(=O)c1ccc2nc(-n3cccc3)sc2c1)NCc1ccccc1 ZINC000012408324 570654891 /nfs/dbraw/zinc/65/48/91/570654891.db2.gz LPFFCLZDWOVTOR-UHFFFAOYSA-N 0 0 390.468 3.133 50 0 GGAARN COc1ccc(-c2nn(CC(=O)Nc3ccnn3C)c3ccccc32)cc1OC ZINC000048112419 570655366 /nfs/dbraw/zinc/65/53/66/570655366.db2.gz ZTPBABMBZJLVMW-UHFFFAOYSA-N 0 0 391.431 3.093 50 0 GGAARN CCn1c2nnc(CCCC(=O)Nc3ccccc3)n2c2ccsc2c1=O ZINC000006868387 570656146 /nfs/dbraw/zinc/65/61/46/570656146.db2.gz PMDYXCVKCKJUSM-UHFFFAOYSA-N 0 0 381.461 3.087 50 0 GGAARN CCCNC(=O)c1cc(=O)n(CC(=O)Nc2ccc(F)cc2F)c2ccccc12 ZINC000012411160 570656170 /nfs/dbraw/zinc/65/61/70/570656170.db2.gz GZAGPTKCDQNILD-UHFFFAOYSA-N 0 0 399.397 3.058 50 0 biogenic,in-vitro GGAARN CCOC(=O)[C@@](NC(=O)COc1ccccc1)(Nc1ccccc1)C(F)(F)F ZINC000012412301 570656383 /nfs/dbraw/zinc/65/63/83/570656383.db2.gz ALTMZJMKWMSVGU-SFHVURJKSA-N 0 0 396.365 3.115 50 0 GGAARN Cc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 ZINC000005574749 570656671 /nfs/dbraw/zinc/65/66/71/570656671.db2.gz NDFYGOSHKAGTKQ-MSOLQXFVSA-N 0 0 387.443 3.386 50 0 GGAARN Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4F)ccn3n2)cc1 ZINC000012414420 570656971 /nfs/dbraw/zinc/65/69/71/570656971.db2.gz BVSKEYCTZUGYOW-UHFFFAOYSA-N 0 0 394.381 3.388 50 0 GGAARN COc1cccc(NC(=O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)c1 ZINC000012414407 570656986 /nfs/dbraw/zinc/65/69/86/570656986.db2.gz NQPDVZCRTQFSQW-UHFFFAOYSA-N 0 0 388.427 3.119 50 0 GGAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(N2CCN(C)CC2)o1 ZINC000012419206 570657219 /nfs/dbraw/zinc/65/72/19/570657219.db2.gz BVUWQQWXJXNYRJ-UHFFFAOYSA-N 0 0 397.500 3.235 50 0 GGAARN CCOC(=O)[C@@](NC(=O)CC)(Nc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000012418330 570657226 /nfs/dbraw/zinc/65/72/26/570657226.db2.gz SDYVKNAVQFHCGS-ZDUSSCGKSA-N 0 0 386.292 3.465 50 0 GGAARN COc1ccc2[nH]c(CCNc3nccc(-c4c(C)nn(C)c4C)n3)nc2c1 ZINC000048353754 570657387 /nfs/dbraw/zinc/65/73/87/570657387.db2.gz CKCJVIMMOKPEDH-UHFFFAOYSA-N 0 0 377.452 3.033 50 0 GGAARN COc1cc(=O)n2c(c1C(=O)NCc1ccccc1C(F)(F)F)CCCC2 ZINC000169752835 570658059 /nfs/dbraw/zinc/65/80/59/570658059.db2.gz ZBSVYGUPXWXSKV-UHFFFAOYSA-N 0 0 380.366 3.142 50 0 GGAARN COc1cc(=O)n2c(c1C(=O)NCc1ccc(C(F)(F)F)cc1)CCCC2 ZINC000169752838 570658149 /nfs/dbraw/zinc/65/81/49/570658149.db2.gz BAKBALFJMWGRSI-UHFFFAOYSA-N 0 0 380.366 3.142 50 0 GGAARN COCCCn1cc2c(c1-c1ccc(Cl)cc1Cl)c(=O)n(C)c(=O)n2C ZINC000012428149 570658172 /nfs/dbraw/zinc/65/81/72/570658172.db2.gz HAMLBGFVZCXXJI-UHFFFAOYSA-N 0 0 396.274 3.049 50 0 GGAARN Cc1cc(C)n(CCN(C)C(=O)c2cc(COc3c(F)cccc3F)on2)n1 ZINC000012429487 570658193 /nfs/dbraw/zinc/65/81/93/570658193.db2.gz MUQFOWJELZNZPR-UHFFFAOYSA-N 0 0 390.390 3.117 50 0 GGAARN O=C(Cn1cnc2ccccc21)N1CCC[C@@](CO)(Cc2ccccc2F)C1 ZINC000012429782 570658451 /nfs/dbraw/zinc/65/84/51/570658451.db2.gz MVDBCLOEBCOMMR-JOCHJYFZSA-N 0 0 381.451 3.019 50 0 GGAARN CC(C)OCCCNC(=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000012430310 570658464 /nfs/dbraw/zinc/65/84/64/570658464.db2.gz XRKMUIQKNVILMP-KRWDZBQOSA-N 0 0 380.916 3.052 50 0 GGAARN CC(C)OCCCNC(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000012430309 570658597 /nfs/dbraw/zinc/65/85/97/570658597.db2.gz XRKMUIQKNVILMP-QGZVFWFLSA-N 0 0 380.916 3.052 50 0 GGAARN COc1ccccc1-c1cnn(CC(=O)Nc2ccn(Cc3ccccc3)n2)c1 ZINC000048488634 570658720 /nfs/dbraw/zinc/65/87/20/570658720.db2.gz WJVTYUZXJVWMQQ-UHFFFAOYSA-N 0 0 387.443 3.442 50 0 GGAARN CC(C)(C)c1cn(C[C@H]2CCCN(C(=O)c3ccc4nccnc4c3)C2)nn1 ZINC000048501564 570658894 /nfs/dbraw/zinc/65/88/94/570658894.db2.gz YRXKPCRNEKQCPS-HNNXBMFYSA-N 0 0 378.480 3.071 50 0 GGAARN COc1ccc(N[C@@H]2CCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)cc1 ZINC000012430710 570658906 /nfs/dbraw/zinc/65/89/06/570658906.db2.gz KGMQUTBLTLTVAA-LJQANCHMSA-N 0 0 393.487 3.144 50 0 GGAARN Cc1ccccc1N1CCN(c2ncccc2CNC(=O)c2ccncc2)CC1 ZINC000012430924 570659102 /nfs/dbraw/zinc/65/91/02/570659102.db2.gz RWFMCRALDNKTHK-UHFFFAOYSA-N 0 0 387.487 3.042 50 0 GGAARN CCS(=O)(=O)c1ncc(CN(C)C2CCCCC2)n1Cc1ccccc1 ZINC000012430898 570659202 /nfs/dbraw/zinc/65/92/02/570659202.db2.gz VDKCJTZILKQXIR-UHFFFAOYSA-N 0 0 375.538 3.490 50 0 GGAARN CCc1nnc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(F)c3)n2C)s1 ZINC000048512845 570659247 /nfs/dbraw/zinc/65/92/47/570659247.db2.gz SHUJGVZEHXRQGS-VIFPVBQESA-N 0 0 392.485 3.154 50 0 GGAARN COC[C@@H](C)NC(=O)Cc1c(C)n(Cc2ccc(F)cc2)c2c1C(=O)CCC2 ZINC000012431376 570659467 /nfs/dbraw/zinc/65/94/67/570659467.db2.gz OZQBWUCXHQBLNN-CQSZACIVSA-N 0 0 386.467 3.197 50 0 GGAARN O=C([C@H]1CCC(=O)N(CCCc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000012431167 570659472 /nfs/dbraw/zinc/65/94/72/570659472.db2.gz WTFHJONKJTUKBJ-QFIPXVFZSA-N 0 0 376.500 3.443 50 0 GGAARN CCn1ccc(C(=O)N[C@H]2CCCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)n1 ZINC000169753412 570659805 /nfs/dbraw/zinc/65/98/05/570659805.db2.gz GVWRFAUYLMSEAG-INIZCTEOSA-N 0 0 398.898 3.345 50 0 GGAARN COc1ccc(OCc2nc(C(=O)N(C)Cc3nc4ccccc4[nH]3)co2)cc1 ZINC000012432121 570659993 /nfs/dbraw/zinc/65/99/93/570659993.db2.gz KAONADAIDMWMBS-UHFFFAOYSA-N 0 0 392.415 3.411 50 0 GGAARN O=C(c1ccccn1)[C@@H]1CCCN(Cc2nc(COc3ccccc3)no2)C1 ZINC000012431628 570660038 /nfs/dbraw/zinc/66/00/38/570660038.db2.gz AAOGVPXDQBAWIR-MRXNPFEDSA-N 0 0 378.432 3.139 50 0 GGAARN O=C(CC[C@H]1CCCN(C(=O)c2cc3c(nc2Cl)CCC3)C1)NC1CC1 ZINC000012432224 570660078 /nfs/dbraw/zinc/66/00/78/570660078.db2.gz LFLUEDJTPRKYRB-CYBMUJFWSA-N 0 0 375.900 3.135 50 0 GGAARN CCn1ccnc1CNC(=O)c1coc(COc2ccc(F)cc2Cl)n1 ZINC000012432221 570660106 /nfs/dbraw/zinc/66/01/06/570660106.db2.gz RWMHCPFRRLHJKF-UHFFFAOYSA-N 0 0 378.791 3.193 50 0 GGAARN COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)c4ccc(C)nc4)C3)n[nH]2)cc1 ZINC000169753677 570660127 /nfs/dbraw/zinc/66/01/27/570660127.db2.gz SFOXCSRDCHKHKB-GOSISDBHSA-N 0 0 391.475 3.188 50 0 GGAARN O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1nc(-c2ccccn2)cs1 ZINC000048613379 570660135 /nfs/dbraw/zinc/66/01/35/570660135.db2.gz BPDUVQLTTBLDCG-UHFFFAOYSA-N 0 0 389.440 3.068 50 0 GGAARN COc1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccccc4)[nH]n3)C2)c(OC)c1 ZINC000169753867 570660263 /nfs/dbraw/zinc/66/02/63/570660263.db2.gz UOCRSEMKKJICPL-MRXNPFEDSA-N 0 0 392.459 3.103 50 0 GGAARN COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)Cc4ccsc4)C3)n[nH]2)cc1 ZINC000169753661 570660334 /nfs/dbraw/zinc/66/03/34/570660334.db2.gz ZTIOOCJMECSMFQ-QGZVFWFLSA-N 0 0 396.516 3.475 50 0 GGAARN O=C(Cc1ccc(F)cc1)N[C@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000169754138 570660596 /nfs/dbraw/zinc/66/05/96/570660596.db2.gz SMUXRCCVGKZZPE-SFHVURJKSA-N 0 0 382.414 3.293 50 0 GGAARN COc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc1 ZINC000169754086 570660600 /nfs/dbraw/zinc/66/06/00/570660600.db2.gz WSELILVMXPMQTK-KRWDZBQOSA-N 0 0 380.423 3.233 50 0 GGAARN COc1ccc(CC(=O)N[C@@H]2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc1 ZINC000169754069 570660621 /nfs/dbraw/zinc/66/06/21/570660621.db2.gz SRWWAXHWOVPWDZ-GOSISDBHSA-N 0 0 394.450 3.162 50 0 GGAARN C[C@@H](NC(=O)c1cn(CCc2ccccc2)nn1)c1cnn(-c2ccccc2)c1 ZINC000012432577 570660711 /nfs/dbraw/zinc/66/07/11/570660711.db2.gz VDURAIYGQFSHIX-QGZVFWFLSA-N 0 0 386.459 3.198 50 0 GGAARN COc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4cccs4)[nH]n3)C2)cc1F ZINC000169754244 570661000 /nfs/dbraw/zinc/66/10/00/570661000.db2.gz QTLPODXRDNGDJN-ZDUSSCGKSA-N 0 0 386.452 3.295 50 0 GGAARN COc1ccc(-c2cc(N3CC[C@H](NC(=O)c4ccc(F)c(F)c4)C3)n[nH]2)cc1 ZINC000169754293 570661111 /nfs/dbraw/zinc/66/11/11/570661111.db2.gz OFPFWGQUFRUWAH-HNNXBMFYSA-N 0 0 398.413 3.372 50 0 GGAARN CN(C)c1cccc(C(=O)N[C@@H]2CCN(c3cc(-c4cccs4)[nH]n3)C2)c1 ZINC000169759496 570661958 /nfs/dbraw/zinc/66/19/58/570661958.db2.gz XQCUFDNTUOTBGU-OAHLLOKOSA-N 0 0 381.505 3.213 50 0 GGAARN O=C(NCCc1ccc(O)cc1)[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000012406495 570662204 /nfs/dbraw/zinc/66/22/04/570662204.db2.gz XEDGFJKGSCFLRD-SFHVURJKSA-N 0 0 391.471 3.085 50 0 GGAARN COc1ccccc1-c1noc(-c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)n1 ZINC000169758282 570662378 /nfs/dbraw/zinc/66/23/78/570662378.db2.gz VQNWXSDCNMADGK-KRWDZBQOSA-N 0 0 393.378 3.414 50 0 GGAARN CCOc1ccc([C@@H]2Cn3nnc(-c4nc(-c5cccnc5)no4)c3CO2)cc1 ZINC000169758403 570662410 /nfs/dbraw/zinc/66/24/10/570662410.db2.gz LTHZSQWCFLJBME-KRWDZBQOSA-N 0 0 390.403 3.060 50 0 GGAARN O=C(Nc1ccc(F)cc1)c1cc2n(n1)C[C@@H](c1ccc3c(c1)OCO3)OC2 ZINC000169760337 570663208 /nfs/dbraw/zinc/66/32/08/570663208.db2.gz CZBOEQLCKZNNRL-IBGZPJMESA-N 0 0 381.363 3.275 50 0 GGAARN C[C@@H](NC(=O)c1cc2n(n1)C[C@@H](c1ccc3c(c1)OCO3)OC2)c1ccccc1 ZINC000169759878 570663635 /nfs/dbraw/zinc/66/36/35/570663635.db2.gz LLSZKNGUOWTQSD-SZNDQCEHSA-N 0 0 391.427 3.374 50 0 GGAARN Cc1cccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc4c(c2)OCO4)OC3)c1 ZINC000169759819 570663645 /nfs/dbraw/zinc/66/36/45/570663645.db2.gz KXFWXDMFHWIBPD-HXUWFJFHSA-N 0 0 377.400 3.444 50 0 GGAARN Cc1cccc(NC(=O)c2cc3n(n2)C[C@@H](c2ccc4c(c2)OCO4)OC3)c1 ZINC000169759818 570663651 /nfs/dbraw/zinc/66/36/51/570663651.db2.gz KXFWXDMFHWIBPD-FQEVSTJZSA-N 0 0 377.400 3.444 50 0 GGAARN Cc1cccc(CNC(=O)c2cc3n(n2)C[C@H](c2ccc4c(c2)OCO4)OC3)c1 ZINC000169759897 570664134 /nfs/dbraw/zinc/66/41/34/570664134.db2.gz YFOYSSIGVYMGJO-OAQYLSRUSA-N 0 0 391.427 3.122 50 0 GGAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2ccc3cc[nH]c3c2)n1 ZINC000049549658 570664300 /nfs/dbraw/zinc/66/43/00/570664300.db2.gz CGZHVNFISBJXSO-UHFFFAOYSA-N 0 0 392.390 3.178 50 0 GGAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3)n2)c(F)c1 ZINC000049551044 570664750 /nfs/dbraw/zinc/66/47/50/570664750.db2.gz YGNWDOZUJWADCU-UHFFFAOYSA-N 0 0 387.798 3.350 50 0 GGAARN O=C(NCC1CCOCC1)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC000012442264 570664881 /nfs/dbraw/zinc/66/48/81/570664881.db2.gz CTRCTXWBWKXKAG-UHFFFAOYSA-N 0 0 397.519 3.286 50 0 GGAARN O=C(CCC1CCN(C(=O)[C@H]2CCOC2)CC1)NCc1cccc(Cl)c1 ZINC000012443157 570665117 /nfs/dbraw/zinc/66/51/17/570665117.db2.gz YIKIKVVCAQPHLY-KRWDZBQOSA-N 0 0 378.900 3.012 50 0 GGAARN CCc1nccn1CCC(=O)N1CCC[C@H](C(=O)c2ccc(OC)c(F)c2)C1 ZINC000012444720 570665457 /nfs/dbraw/zinc/66/54/57/570665457.db2.gz IVIINPZEYRZKLY-INIZCTEOSA-N 0 0 387.455 3.105 50 0 GGAARN CC(C)Cn1c(CN2CCC[C@@H]2c2ccc(F)cc2)cnc1S(C)(=O)=O ZINC000012444865 570665495 /nfs/dbraw/zinc/66/54/95/570665495.db2.gz DGJFGLWPENAUAG-GOSISDBHSA-N 0 0 379.501 3.419 50 0 GGAARN CCCOc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(C(C)=O)C3=O)cc1 ZINC000012411305 570666833 /nfs/dbraw/zinc/66/68/33/570666833.db2.gz DFGKUNJTBYRNIM-OAQYLSRUSA-N 0 0 396.468 3.301 50 0 GGAARN COc1c(C)cnc(CNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1C ZINC000050447863 570667167 /nfs/dbraw/zinc/66/71/67/570667167.db2.gz FQOUJWMYLFDYQN-UHFFFAOYSA-N 0 0 378.476 3.499 50 0 GGAARN O=C(N[C@@H]1CCCN(Cc2ccccc2F)C1)c1cccc(N2CCOCC2)c1 ZINC000012447944 570667175 /nfs/dbraw/zinc/66/71/75/570667175.db2.gz KGACWIILAMBLLY-HXUWFJFHSA-N 0 0 397.494 3.057 50 0 GGAARN COCCc1nc2ccc(C(=O)N[C@@H](c3cccnc3)C(F)(F)F)cc2o1 ZINC000012448077 570667310 /nfs/dbraw/zinc/66/73/10/570667310.db2.gz GNHRLNAIWWBKEW-INIZCTEOSA-N 0 0 379.338 3.445 50 0 GGAARN O=C(N[C@H]1CCCN(Cc2ccccc2F)C1)c1cccc(N2CCOCC2)c1 ZINC000012447945 570667323 /nfs/dbraw/zinc/66/73/23/570667323.db2.gz KGACWIILAMBLLY-FQEVSTJZSA-N 0 0 397.494 3.057 50 0 GGAARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C1=O ZINC000229995665 570667926 /nfs/dbraw/zinc/66/79/26/570667926.db2.gz GXCOQECPHALNOB-PWRODBHTSA-N 0 0 385.423 3.441 50 0 GGAARN CN(Cc1cc2n(n1)CCCN(Cc1ccoc1)C2)C[C@H]1Cc2ccccc2O1 ZINC000230236382 570668323 /nfs/dbraw/zinc/66/83/23/570668323.db2.gz UKVCYVVLDIWPHA-JOCHJYFZSA-N 0 0 392.503 3.318 50 0 GGAARN COc1cccc(NC(=O)c2c(O)c3c(n(Cc4ccco4)c2=O)CCCC3)c1 ZINC000005607273 570668456 /nfs/dbraw/zinc/66/84/56/570668456.db2.gz NXCNWLACPHNRKO-UHFFFAOYSA-N 0 0 394.427 3.335 50 0 GGAARN CSCCCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012453699 570668689 /nfs/dbraw/zinc/66/86/89/570668689.db2.gz UNERNKHJYKSGSQ-CQSZACIVSA-N 0 0 388.455 3.313 50 0 GGAARN Cc1ccccc1Cn1cc(C(=O)N2CCC[C@@H](OCc3ccccc3)C2)nn1 ZINC000012453245 570668705 /nfs/dbraw/zinc/66/87/05/570668705.db2.gz MZADTCQFDJJVJB-OAQYLSRUSA-N 0 0 390.487 3.456 50 0 GGAARN C[C@@H]1CN(C(=O)[C@H]2CC23CCN(C(=O)c2ccccc2Cl)CC3)C[C@H](C)O1 ZINC000012456537 570669018 /nfs/dbraw/zinc/66/90/18/570669018.db2.gz LZYKMWJBBUDKMW-HLLBOEOZSA-N 0 0 390.911 3.218 50 0 GGAARN O=C(COc1ccc2c(c1)OC1(CCCCC1)CC2=O)NCCCn1ccnc1 ZINC000013693164 570669098 /nfs/dbraw/zinc/66/90/98/570669098.db2.gz REWFMEGHWZRVPE-UHFFFAOYSA-N 0 0 397.475 3.137 50 0 GGAARN COc1cc(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc(OC)c1OC ZINC000013695851 570669146 /nfs/dbraw/zinc/66/91/46/570669146.db2.gz JCVHFPJSMHOVGG-UHFFFAOYSA-N 0 0 396.443 3.264 50 0 GGAARN COc1ccc(CCNC(=O)CCCn2nc(-c3cccs3)ccc2=O)cc1 ZINC000013698615 570670055 /nfs/dbraw/zinc/67/00/55/570670055.db2.gz XKKYXVXNWPJPBY-UHFFFAOYSA-N 0 0 397.500 3.120 50 0 GGAARN Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccccc2Cl)N3)cc1 ZINC000169764106 570671701 /nfs/dbraw/zinc/67/17/01/570671701.db2.gz AZBVPZPFHYPIJR-UHFFFAOYSA-N 0 0 384.867 3.315 50 0 GGAARN O=C(CCC1CCN(C(=O)c2cc3ccccc3o2)CC1)NC[C@@H]1CCCO1 ZINC000012470912 570672722 /nfs/dbraw/zinc/67/27/22/570672722.db2.gz SNSWGMPMQROYRW-SFHVURJKSA-N 0 0 384.476 3.360 50 0 GGAARN Cc1ccccc1CN1CCn2nnc(-c3nc(-c4ccsc4)no3)c2C1=O ZINC000169765694 570673015 /nfs/dbraw/zinc/67/30/15/570673015.db2.gz NYRZFGAQOLYECU-UHFFFAOYSA-N 0 0 392.444 3.021 50 0 GGAARN COCCn1ccc2c1cccc2NC(=O)c1cc(=O)n(C)c2ccccc12 ZINC000072325441 570673387 /nfs/dbraw/zinc/67/33/87/570673387.db2.gz YGHNIDWFTDOSRS-UHFFFAOYSA-N 0 0 375.428 3.392 50 0 biogenic GGAARN CC(C)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)cc1 ZINC000012422937 570673927 /nfs/dbraw/zinc/67/39/27/570673927.db2.gz OKKHADFWLOWLPX-UHFFFAOYSA-N 0 0 396.472 3.388 50 0 GGAARN CC(C)Cn1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2ccccc2c1=O ZINC000072326248 570674101 /nfs/dbraw/zinc/67/41/01/570674101.db2.gz SOQMFSCITHGQEK-SBUREZEXSA-N 0 0 382.504 3.425 50 0 biogenic GGAARN COc1ccc2c(ccn2CCNC(=O)CCc2ccc(OC)c(OC)c2)c1 ZINC000072325795 570674128 /nfs/dbraw/zinc/67/41/28/570674128.db2.gz MSPAOQSATKOCOP-UHFFFAOYSA-N 0 0 382.460 3.416 50 0 biogenic GGAARN CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)CCn2cccn2)C1 ZINC000012479506 570674227 /nfs/dbraw/zinc/67/42/27/570674227.db2.gz FPTWSWGCCCXUSC-HSZRJFAPSA-N 0 0 397.519 3.468 50 0 GGAARN O=C1OCC[C@@H]1CCn1c(=O)c(C(F)(F)F)nc2ccc(C(F)(F)F)cc21 ZINC000685939884 570674508 /nfs/dbraw/zinc/67/45/08/570674508.db2.gz RMIAHXADBWYDFU-QMMMGPOBSA-N 0 0 394.271 3.387 50 0 GGAARN O=C1OCC[C@H]1CCn1c(=O)c(C(F)(F)F)nc2ccc(C(F)(F)F)cc21 ZINC000685939883 570674522 /nfs/dbraw/zinc/67/45/22/570674522.db2.gz RMIAHXADBWYDFU-MRVPVSSYSA-N 0 0 394.271 3.387 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(-c4noc(-c5ccsc5)n4)c3CO2)cc1 ZINC000169769041 570674751 /nfs/dbraw/zinc/67/47/51/570674751.db2.gz SYESWYFZTXGUDM-OAHLLOKOSA-N 0 0 381.417 3.337 50 0 GGAARN Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000012481784 570674911 /nfs/dbraw/zinc/67/49/11/570674911.db2.gz UWLAAKGJGVNTAY-MRXNPFEDSA-N 0 0 376.451 3.351 50 0 GGAARN O=C(NCCCc1cccnc1)c1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000012435242 570675282 /nfs/dbraw/zinc/67/52/82/570675282.db2.gz GZBNLZWPKDBCNO-UHFFFAOYSA-N 0 0 389.381 3.103 50 0 GGAARN COc1ccc(OC)c(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000053771421 570675460 /nfs/dbraw/zinc/67/54/60/570675460.db2.gz NGQUACYVKGNZIF-UHFFFAOYSA-N 0 0 389.883 3.118 50 0 GGAARN CCOC(=O)C(=O)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000004619019 570675479 /nfs/dbraw/zinc/67/54/79/570675479.db2.gz ZOYMDUCBZQHDDP-UHFFFAOYSA-N 0 0 380.322 3.459 50 0 GGAARN Cc1ccccc1[C@@H]1CCN(C(=O)c2cccc(-n3cnnn3)c2)CCS1 ZINC000219264961 570675648 /nfs/dbraw/zinc/67/56/48/570675648.db2.gz BWFDWMSGHGXDOQ-IBGZPJMESA-N 0 0 379.489 3.291 50 0 GGAARN CC1CCN(C(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000004341506 570676437 /nfs/dbraw/zinc/67/64/37/570676437.db2.gz LTECLQBAQFJPBR-UHFFFAOYSA-N 0 0 385.468 3.305 50 0 GGAARN NC(=O)[C@@H]1CCCN1C(=O)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000012440808 570676751 /nfs/dbraw/zinc/67/67/51/570676751.db2.gz IKGIIRZWKZKFSH-SFHVURJKSA-N 0 0 377.444 3.093 50 0 GGAARN O=S(=O)(CCCOc1ccc(F)cc1)NCCc1c[nH]c2ccccc12 ZINC000012440839 570676756 /nfs/dbraw/zinc/67/67/56/570676756.db2.gz XMMLJIHOVCVYSO-UHFFFAOYSA-N 0 0 376.453 3.238 50 0 GGAARN O=c1c(Cl)c(N2CCN(Cc3ccccc3)CC2)cnn1-c1ccccc1 ZINC000054284425 570677340 /nfs/dbraw/zinc/67/73/40/570677340.db2.gz QKOGQAFXDWZGFP-UHFFFAOYSA-N 0 0 380.879 3.208 50 0 GGAARN CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 ZINC000012531744 570677332 /nfs/dbraw/zinc/67/73/32/570677332.db2.gz QQVAUKZGLQCLFS-UHFFFAOYSA-N 0 0 383.496 3.048 50 0 GGAARN O=C(CC1CCCCC1)NCCOc1ccc2nnc(-c3ccccc3)n2n1 ZINC000012443202 570677454 /nfs/dbraw/zinc/67/74/54/570677454.db2.gz WFKAIVIOLVUCDS-UHFFFAOYSA-N 0 0 379.464 3.257 50 0 GGAARN CCCCOc1cccc([C@H](C)NS(=O)(=O)c2cccc3nonc32)c1 ZINC000032578963 570677737 /nfs/dbraw/zinc/67/77/37/570677737.db2.gz UYMHEBNRYZXDOB-ZDUSSCGKSA-N 0 0 375.450 3.441 50 0 GGAARN Cc1ccc(C(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)cc1C ZINC000012443172 570677799 /nfs/dbraw/zinc/67/77/99/570677799.db2.gz UACLSAOVTRDIRU-UHFFFAOYSA-N 0 0 387.443 3.217 50 0 GGAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)NC[C@H]4CCCO4)cc3)n2)cc1 ZINC000032578998 570677904 /nfs/dbraw/zinc/67/79/04/570677904.db2.gz IXPWAUUSCTZVFR-LJQANCHMSA-N 0 0 393.443 3.386 50 0 GGAARN CC(C)c1noc(-c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2)n1 ZINC000032578801 570677909 /nfs/dbraw/zinc/67/79/09/570677909.db2.gz PTEDOZYBFAGCOZ-UHFFFAOYSA-N 0 0 395.415 3.284 50 0 GGAARN Cc1cc(-c2nnc(NC(=O)CCCSc3ccc(F)cc3)o2)nn1C ZINC000012443102 570677884 /nfs/dbraw/zinc/67/78/84/570677884.db2.gz PJZBURRNNKHVFR-UHFFFAOYSA-N 0 0 375.429 3.429 50 0 GGAARN COc1ccc(SCCCC(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc1 ZINC000012443106 570677995 /nfs/dbraw/zinc/67/79/95/570677995.db2.gz NCOWDBXLJOKRQR-UHFFFAOYSA-N 0 0 387.465 3.298 50 0 GGAARN COc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccnn3C)nc21 ZINC000012444253 570678118 /nfs/dbraw/zinc/67/81/18/570678118.db2.gz YDUKNHXZZWHUFT-UHFFFAOYSA-N 0 0 379.445 3.280 50 0 GGAARN O=C(Cc1csc(SCC(=O)c2ccccc2)n1)NCc1ccncc1 ZINC000012444167 570678381 /nfs/dbraw/zinc/67/83/81/570678381.db2.gz HNQSLOUSFGJYOR-UHFFFAOYSA-N 0 0 383.498 3.372 50 0 GGAARN CCc1ccc(NC(=O)CSc2nnc(-c3cnn(CC)c3)n2CC)cc1 ZINC000032604040 570678524 /nfs/dbraw/zinc/67/85/24/570678524.db2.gz RGKYXZVQUGPABC-UHFFFAOYSA-N 0 0 384.509 3.475 50 0 GGAARN COc1ccc(S(=O)(=O)Nc2ccccc2/C=C/c2cc[n+]([O-])cc2)cc1 ZINC000000600734 570678793 /nfs/dbraw/zinc/67/87/93/570678793.db2.gz LBPNULPSVCDYRF-VOTSOKGWSA-N 0 0 382.441 3.300 50 0 GGAARN CN1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)CC1 ZINC000055008606 570678953 /nfs/dbraw/zinc/67/89/53/570678953.db2.gz SSFOKALIBRZBAB-UHFFFAOYSA-N 0 0 397.482 3.451 50 0 GGAARN CCOC(=O)c1c2c(sc1NC(=O)c1cccc(-n3cnnn3)c1)CCCC2 ZINC000032594163 570679834 /nfs/dbraw/zinc/67/98/34/570679834.db2.gz INKDDNZKENIZAX-UHFFFAOYSA-N 0 0 397.460 3.032 50 0 GGAARN S=C(Nc1ccc2c(c1)OCO2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000055051873 570680182 /nfs/dbraw/zinc/68/01/82/570680182.db2.gz SGYLOBLJHUBVMU-QPJJXVBHSA-N 0 0 381.501 3.443 50 0 GGAARN Cc1cc(OCc2cc(C(=O)N3CCN(C)[C@H](C)C3)no2)cc(C)c1Cl ZINC000055060850 570681090 /nfs/dbraw/zinc/68/10/90/570681090.db2.gz HYNPGNMBDNWQPB-CQSZACIVSA-N 0 0 377.872 3.300 50 0 GGAARN Cc1ccc(Cn2nccc2NC(=O)Cn2cc(-c3ccc(N)c(F)c3)cn2)o1 ZINC000055073142 570681528 /nfs/dbraw/zinc/68/15/28/570681528.db2.gz SFRSARJHUKXSHB-UHFFFAOYSA-N 0 0 394.410 3.056 50 0 GGAARN COc1ccccc1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000055062656 570681648 /nfs/dbraw/zinc/68/16/48/570681648.db2.gz 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CCCn1ccnc1CN1CCCn2nc(-c3nc4ccccc4n3C)cc2C1 ZINC000065397739 570765961 /nfs/dbraw/zinc/76/59/61/570765961.db2.gz MXKLPAHSIARESC-UHFFFAOYSA-N 0 0 389.507 3.449 50 0 GGAARN CC(=O)N[C@@H]1C[C@H](CCc2ccccc2)O[C@H](c2ccc3c(c2)nnn3C)C1 ZINC000065397639 570766120 /nfs/dbraw/zinc/76/61/20/570766120.db2.gz OSRFZLXKHCEBJX-DXIQSLLYSA-N 0 0 378.476 3.326 50 0 GGAARN CCc1nccc(-c2c(-c3ccccc3)ncn2CC2(CO)CCOCC2)n1 ZINC000065403548 570766128 /nfs/dbraw/zinc/76/61/28/570766128.db2.gz VATCYNVAHAZLCW-UHFFFAOYSA-N 0 0 378.476 3.359 50 0 GGAARN CCc1cc(C(=O)N2CCOCC2)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000036621736 570766292 /nfs/dbraw/zinc/76/62/92/570766292.db2.gz GXFVBROZTWNFGV-UHFFFAOYSA-N 0 0 376.460 3.333 50 0 GGAARN COc1cccc([C@@H]2CC(=O)Nc3cc(O)ccc32)c1OCCn1ccnc1 ZINC000065406096 570766311 /nfs/dbraw/zinc/76/63/11/570766311.db2.gz CODKEMMUIXAVGD-QGZVFWFLSA-N 0 0 379.416 3.150 50 0 GGAARN CCOc1ccccc1CCCNC(=O)c1cccc(NS(C)(=O)=O)c1C ZINC000013648669 570766816 /nfs/dbraw/zinc/76/68/16/570766816.db2.gz 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Cc1nn2c(cn[nH]c2=O)c1-c1cccc(C(=O)N[C@H](C)C2=CCCCC2)c1 ZINC000534658928 570916241 /nfs/dbraw/zinc/91/62/41/570916241.db2.gz HTJRPMPUKRUHOR-CYBMUJFWSA-N 0 0 377.448 3.424 50 0 GGAARN COc1ccc(Cn2cc(-c3cccc(C(=O)N[C@H]4CCOC4)c3)cn2)cc1 ZINC000534658958 570916290 /nfs/dbraw/zinc/91/62/90/570916290.db2.gz XKOYOKOFQVAUEE-FQEVSTJZSA-N 0 0 377.444 3.126 50 0 GGAARN COCc1[nH]nc(C)c1-c1cccc(C(=O)NC[C@@H](C)Oc2cccnc2)c1 ZINC000534649266 570917668 /nfs/dbraw/zinc/91/76/68/570917668.db2.gz GLYHUDLDYMNRPF-CQSZACIVSA-N 0 0 380.448 3.124 50 0 GGAARN CCCn1ccc2c(OCC(=O)Nc3ccc(NC(C)=O)cc3)cccc2c1=O ZINC000004584157 570917685 /nfs/dbraw/zinc/91/76/85/570917685.db2.gz KDBLICPNKLWZOG-UHFFFAOYSA-N 0 0 393.443 3.387 50 0 GGAARN COc1ccc(CCNC(=O)N2CCc3[nH]c4ccc(OC)cc4c3C2)cc1 ZINC000263586583 570917752 /nfs/dbraw/zinc/91/77/52/570917752.db2.gz VYAAQWVJAYZUEN-UHFFFAOYSA-N 0 0 379.460 3.496 50 0 biogenic GGAARN CCOCCn1ccc2c(OCC(=O)Nc3ccccc3OC)cccc2c1=O ZINC000004584362 570918010 /nfs/dbraw/zinc/91/80/10/570918010.db2.gz PDDDOWVNARAVKX-UHFFFAOYSA-N 0 0 396.443 3.064 50 0 GGAARN COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3cccc(Cl)c3)cc12 ZINC000004032792 570918393 /nfs/dbraw/zinc/91/83/93/570918393.db2.gz JIDKWDMLHVFRLU-UHFFFAOYSA-N 0 0 386.835 3.171 50 0 GGAARN COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3cc(C)cc(C)c3)cc12 ZINC000004032790 570918491 /nfs/dbraw/zinc/91/84/91/570918491.db2.gz FEAVDNYAVDRKTE-UHFFFAOYSA-N 0 0 380.444 3.135 50 0 GGAARN Cc1cccc2[nH]nc(-c3ccc(C(=O)N4CCCC[C@H]4CC(N)=O)cc3)c21 ZINC000534665368 570918789 /nfs/dbraw/zinc/91/87/89/570918789.db2.gz MDYCCNPMBAQFOS-KRWDZBQOSA-N 0 0 376.460 3.408 50 0 GGAARN Cc1noc([C@H]2CCCCN2C(=O)NCCc2nc3c(ccc(C)c3C)[nH]2)n1 ZINC000534665366 570918891 /nfs/dbraw/zinc/91/88/91/570918891.db2.gz JWLMPXXSXRFXDZ-MRXNPFEDSA-N 0 0 382.468 3.350 50 0 GGAARN O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 ZINC000023143669 570918955 /nfs/dbraw/zinc/91/89/55/570918955.db2.gz UOLWVXACIIZCGV-UHFFFAOYSA-N 0 0 397.452 3.440 50 0 GGAARN Cc1ccc([C@H](NC(=O)N2CCN(CCCCO)CC2)c2ccccc2)cc1 ZINC000534666250 570919404 /nfs/dbraw/zinc/91/94/04/570919404.db2.gz XYVQWMVNIPNAPG-JOCHJYFZSA-N 0 0 381.520 3.184 50 0 GGAARN CCCCN1CCN(C(=O)c2ccc(-c3cc(CC)nc(C)n3)cc2)CC1=O ZINC000534665443 570919504 /nfs/dbraw/zinc/91/95/04/570919504.db2.gz AVDIWMLDRDVERG-UHFFFAOYSA-N 0 0 380.492 3.099 50 0 GGAARN Cc1c[nH]c([C@H](C)NC(=O)N2CCCN(c3nc4ccccc4s3)CC2)n1 ZINC000534666175 570919532 /nfs/dbraw/zinc/91/95/32/570919532.db2.gz GVCVWRQEWNBBRM-AWEZNQCLSA-N 0 0 384.509 3.311 50 0 GGAARN CC(C)[C@@H](NC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1nccn1C ZINC000534667796 570919840 /nfs/dbraw/zinc/91/98/40/570919840.db2.gz PXNMYNDILFYUMY-JRMCHAMMSA-N 0 0 381.524 3.158 50 0 GGAARN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1cccc(Cl)c1 ZINC000016960208 570920175 /nfs/dbraw/zinc/92/01/75/570920175.db2.gz ADTOUHTVWAMJDX-ZZEZOPTASA-N 0 0 390.848 3.279 50 0 GGAARN CC[C@](C)(CCNC(=O)N1CCC(NC(C)=O)CC1)c1ccccc1OC ZINC000534668912 570920376 /nfs/dbraw/zinc/92/03/76/570920376.db2.gz HKPBLUMDQBNMON-OAQYLSRUSA-N 0 0 375.513 3.063 50 0 GGAARN O=C(NCC1(c2ccccc2)CCOCC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000016974389 570920656 /nfs/dbraw/zinc/92/06/56/570920656.db2.gz ZBTMGSBNQXHZGI-UHFFFAOYSA-N 0 0 390.842 3.282 50 0 GGAARN COc1ccc(CC(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1OC ZINC000016971640 570920714 /nfs/dbraw/zinc/92/07/14/570920714.db2.gz UDFFPIKZWDSADC-UHFFFAOYSA-N 0 0 387.451 3.250 50 0 GGAARN CC(C)[C@H](NC(=O)N1CCN(c2nc3ccccc3o2)CC1)c1cccnc1 ZINC000534671666 570920818 /nfs/dbraw/zinc/92/08/18/570920818.db2.gz GMZOGFNYGGDQOH-IBGZPJMESA-N 0 0 379.464 3.452 50 0 GGAARN CNc1ccc(-c2cccc(C(=O)N3CCCC[C@H]3c3nccs3)c2)nn1 ZINC000534675233 570920862 /nfs/dbraw/zinc/92/08/62/570920862.db2.gz NIZWCVMFGVZJGT-KRWDZBQOSA-N 0 0 379.489 3.431 50 0 GGAARN CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)nn1 ZINC000016975204 570921157 /nfs/dbraw/zinc/92/11/57/570921157.db2.gz BRHBZDIKXMEOOO-UHFFFAOYSA-N 0 0 387.848 3.453 50 0 GGAARN Cc1nn(C(=O)C2CCCC2)c(C)c1S(=O)(=O)N1CCc2ccccc2C1 ZINC000016975915 570921170 /nfs/dbraw/zinc/92/11/70/570921170.db2.gz BKQIUNUDTGXXQA-UHFFFAOYSA-N 0 0 387.505 3.077 50 0 GGAARN O=C(NCC1(c2cccc(F)c2)CCOCC1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000534672560 570921174 /nfs/dbraw/zinc/92/11/74/570921174.db2.gz SSQLJXGMXBNUBD-MRXNPFEDSA-N 0 0 386.471 3.186 50 0 GGAARN O=C(NCC1(c2cccc(F)c2)CCOCC1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000534672557 570921329 /nfs/dbraw/zinc/92/13/29/570921329.db2.gz SSQLJXGMXBNUBD-INIZCTEOSA-N 0 0 386.471 3.186 50 0 GGAARN O=C(NCc1csc2c1CCCC2)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000534675275 570921717 /nfs/dbraw/zinc/92/17/17/570921717.db2.gz GYYGCKOBAPBAMW-LSDHHAIUSA-N 0 0 383.517 3.118 50 0 GGAARN Cc1cc(-c2cccc(C(=O)N3CCN(c4cccnc4)CC3)c2)c(=O)[nH]c1C ZINC000534673696 570921767 /nfs/dbraw/zinc/92/17/67/570921767.db2.gz UYMIBJNCUYROJN-UHFFFAOYSA-N 0 0 388.471 3.428 50 0 GGAARN O=C(CCc1ccccc1F)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000207983284 570923243 /nfs/dbraw/zinc/92/32/43/570923243.db2.gz UNOHEXPRRYKMHQ-SFHVURJKSA-N 0 0 393.455 3.362 50 0 GGAARN Cc1cc2cc(CCNC(=O)/C=C\c3ccc4c(c3)OCO4)c(=O)[nH]c2cc1C ZINC000017025716 570924676 /nfs/dbraw/zinc/92/46/76/570924676.db2.gz LRKUFTAOZZHFFQ-XQRVVYSFSA-N 0 0 390.439 3.246 50 0 GGAARN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccco2)cc1 ZINC000017028532 570924789 /nfs/dbraw/zinc/92/47/89/570924789.db2.gz VHXFHGSCIYIYMT-YMPZKCBVSA-N 0 0 398.503 3.273 50 0 GGAARN O=S(=O)(c1ccccc1)n1c([C@H](O)c2ccc(F)cc2)cc2cccnc21 ZINC000004050203 570925452 /nfs/dbraw/zinc/92/54/52/570925452.db2.gz ACFIWNZAAZILDA-LJQANCHMSA-N 0 0 382.416 3.494 50 0 GGAARN CCSc1nnc(CNC(=O)c2cccc(F)c2)n1-c1ccccc1OC ZINC000004059329 570926402 /nfs/dbraw/zinc/92/64/02/570926402.db2.gz MSALRKRMZJRNIH-UHFFFAOYSA-N 0 0 386.452 3.457 50 0 GGAARN COc1ccc(-c2nnc3ccc(SCc4cccnc4)nn32)cc1OC ZINC000004062793 570927694 /nfs/dbraw/zinc/92/76/94/570927694.db2.gz REUAJQKIGUDTLM-UHFFFAOYSA-N 0 0 379.445 3.496 50 0 GGAARN CCCCCCN1CC(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@@]2(C)C1=O ZINC000004061885 570927736 /nfs/dbraw/zinc/92/77/36/570927736.db2.gz WFXBSPNHXDIMIE-QFIPXVFZSA-N 0 0 383.492 3.199 50 0 biogenic GGAARN COc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c(OC)c1 ZINC000016635750 570929303 /nfs/dbraw/zinc/92/93/03/570929303.db2.gz KGOZIDDSGKEMLB-HNNXBMFYSA-N 0 0 386.423 3.334 50 0 GGAARN Cc1cccc(-c2nnc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)s2)c1 ZINC000004072120 570929559 /nfs/dbraw/zinc/92/95/59/570929559.db2.gz SBCYCCDRBFKMMK-UHFFFAOYSA-N 0 0 392.440 3.419 50 0 aggregator GGAARN Cc1cc(OCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2c(C)c(C)c(=O)oc2c1 ZINC000004073115 570929802 /nfs/dbraw/zinc/92/98/02/570929802.db2.gz YXGCZHXRFHIDCY-SBUREZEXSA-N 0 0 399.487 3.251 50 0 biogenic GGAARN CN(C)C1(c2nnnn2CCOC(=O)Nc2cccc3ccccc32)CCCC1 ZINC000000869179 570930117 /nfs/dbraw/zinc/93/01/17/570930117.db2.gz MJZJQHNFHBNCAO-UHFFFAOYSA-N 0 0 394.479 3.406 50 0 GGAARN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000000796683 570930150 /nfs/dbraw/zinc/93/01/50/570930150.db2.gz HBOBNXMUMHMWBU-GOSISDBHSA-N 0 0 376.522 3.094 50 0 GGAARN COc1ccc(OC)c(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)c1 ZINC000000936537 570930435 /nfs/dbraw/zinc/93/04/35/570930435.db2.gz LDSJDLCGLONDDB-UHFFFAOYSA-N 0 0 395.411 3.316 50 0 GGAARN CCN1c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)c3cccc(c23)C1=O ZINC000004079205 570930660 /nfs/dbraw/zinc/93/06/60/570930660.db2.gz GHACTNMANBACLE-UHFFFAOYSA-N 0 0 399.406 3.055 50 0 GGAARN O=C(Cc1ccc(F)cc1)N[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(F)cc1 ZINC000001060187 570930794 /nfs/dbraw/zinc/93/07/94/570930794.db2.gz PRJOQUSPOTUFAI-WOJBJXKFSA-N 0 0 386.442 3.294 50 0 GGAARN O=C(c1ccc2c(c1)OCO2)N(c1ccc(Cl)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000004078732 570931116 /nfs/dbraw/zinc/93/11/16/570931116.db2.gz OVZZPXBZGBFWQX-HNNXBMFYSA-N 0 0 391.832 3.026 50 0 GGAARN COCc1cccc(NC(=S)NC(=O)C=Cc2ccc(OC)c(OC)c2)c1 ZINC000001123217 570931605 /nfs/dbraw/zinc/93/16/05/570931605.db2.gz HDRNCJBRYZSLCD-CSKARUKUSA-N 0 0 386.473 3.377 50 0 GGAARN COc1cccc(-c2cc(CNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)no2)c1 ZINC000012637497 570931977 /nfs/dbraw/zinc/93/19/77/570931977.db2.gz XBEHPZIAFZDYMD-MRXNPFEDSA-N 0 0 391.427 3.020 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccccc2)cc1 ZINC000015391188 570933353 /nfs/dbraw/zinc/93/33/53/570933353.db2.gz BNJGAXGRSJFWGC-QGZVFWFLSA-N 0 0 388.489 3.267 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)NC2CCCCC2)cc1 ZINC000015391092 570933482 /nfs/dbraw/zinc/93/34/82/570933482.db2.gz AXWBDJNZZFNFPQ-KRWDZBQOSA-N 0 0 394.537 3.077 50 0 GGAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)NC2CCCCC2)cc1 ZINC000015390771 570933611 /nfs/dbraw/zinc/93/36/11/570933611.db2.gz ASBSVZRBOSURAK-GOSISDBHSA-N 0 0 378.538 3.377 50 0 GGAARN Cc1cccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3cccnc3)c(=O)[nH]c12 ZINC000017014515 570937082 /nfs/dbraw/zinc/93/70/82/570937082.db2.gz CPQVKTDBXPBZLC-IBGZPJMESA-N 0 0 377.444 3.053 50 0 GGAARN CCCOc1ccc(-c2nc3s/c(=C/c4cccc(OC)c4)c(=O)n3n2)cc1 ZINC000006324309 570937531 /nfs/dbraw/zinc/93/75/31/570937531.db2.gz OGQNQOITMIXJRS-QGOAFFKASA-N 0 0 393.468 3.163 50 0 GGAARN CSc1ccc([C@H]2C(C(=O)NCc3ccccc3)=C(C)Nc3nnnn32)cc1 ZINC000017028037 570937621 /nfs/dbraw/zinc/93/76/21/570937621.db2.gz WFHVVAYWONRWEI-SFHVURJKSA-N 0 0 392.488 3.000 50 0 GGAARN CCOc1ccc(-c2nc3s/c(=C/c4ccc(SC)cc4)c(=O)n3n2)cc1 ZINC000006355377 570937618 /nfs/dbraw/zinc/93/76/18/570937618.db2.gz XYMQWFNHCKPWNQ-SFQUDFHCSA-N 0 0 395.509 3.486 50 0 GGAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)c12 ZINC000002095546 570941289 /nfs/dbraw/zinc/94/12/89/570941289.db2.gz NTLQJUPASABMIE-LBPRGKRZSA-N 0 0 375.421 3.482 50 0 biogenic GGAARN C[C@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1 ZINC000007963135 570941747 /nfs/dbraw/zinc/94/17/47/570941747.db2.gz DPAFBLUFQAYEAV-NVXWUHKLSA-N 0 0 392.546 3.069 50 0 GGAARN CC(C)Cn1cc2c(n1)n(CCC(=O)NC1CCCC1)c(=O)cc2C(F)(F)F ZINC000036621704 570943019 /nfs/dbraw/zinc/94/30/19/570943019.db2.gz ACJRPORRICEJCM-UHFFFAOYSA-N 0 0 398.429 3.322 50 0 GGAARN Cc1ccn(CCNC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3C)n1 ZINC000036616320 570943538 /nfs/dbraw/zinc/94/35/38/570943538.db2.gz DTMKVTJJJLQKRW-UHFFFAOYSA-N 0 0 388.475 3.187 50 0 GGAARN C[C@H](NC(=O)Cn1nnc2sc(-c3ccccc3)cc2c1=O)c1ccccc1 ZINC000005009868 570945524 /nfs/dbraw/zinc/94/55/24/570945524.db2.gz BZDRMBZYGLDHSE-AWEZNQCLSA-N 0 0 390.468 3.397 50 0 GGAARN COCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000004732788 570947396 /nfs/dbraw/zinc/94/73/96/570947396.db2.gz PMENUDJAXSCVSR-UXHICEINSA-N 0 0 392.459 3.309 50 0 GGAARN COc1ccc(C(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)c(OC)c1 ZINC000004733270 570947823 /nfs/dbraw/zinc/94/78/23/570947823.db2.gz NWEJCBAQXSEILI-UHFFFAOYSA-N 0 0 395.444 3.431 50 0 GGAARN COc1ccc2c(C)c(CCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(=O)oc2c1 ZINC000002108681 570949372 /nfs/dbraw/zinc/94/93/72/570949372.db2.gz PFTLRKTYYFZVAK-WAIKUNEKSA-N 0 0 399.487 3.196 50 0 biogenic GGAARN CCN(CC)C(=O)c1cc(-c2ccc(C)c(C)c2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000033325774 570949640 /nfs/dbraw/zinc/94/96/40/570949640.db2.gz GFKAHNZJXXXFBV-QGZVFWFLSA-N 0 0 389.521 3.009 50 0 GGAARN COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3OC)n2C)c1 ZINC000004735961 570950314 /nfs/dbraw/zinc/95/03/14/570950314.db2.gz XICGGKLAIWFTAJ-UHFFFAOYSA-N 0 0 384.461 3.230 50 0 GGAARN CCn1c(S[C@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1ccccc1F ZINC000004736449 570950546 /nfs/dbraw/zinc/95/05/46/570950546.db2.gz BMTNZKVJJRJIOE-SECBINFHSA-N 0 0 392.485 3.383 50 0 GGAARN Cn1ncnc1COC(=O)[C@H](NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000585138593 570951279 /nfs/dbraw/zinc/95/12/79/570951279.db2.gz JUIKQFASSDUWOE-GFCCVEGCSA-N 0 0 397.184 3.058 50 0 GGAARN CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1cccc(OC)c1 ZINC000004736502 570951715 /nfs/dbraw/zinc/95/17/15/570951715.db2.gz HPUNLACKOGTDAE-UHFFFAOYSA-N 0 0 382.489 3.382 50 0 GGAARN Cn1ncc(C(=O)Nc2ccc(F)c(F)c2)c1C(=O)Nc1ccc(F)c(F)c1 ZINC000020616286 570952031 /nfs/dbraw/zinc/95/20/31/570952031.db2.gz XVAFTNOWDRDAMM-UHFFFAOYSA-N 0 0 392.312 3.481 50 0 GGAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)NCc4cc(F)cc(F)c4)c3CO2)cc1 ZINC000263615031 570952306 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CCOc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)C(C)=Nc2nnnn21 ZINC000001291813 570956160 /nfs/dbraw/zinc/95/61/60/570956160.db2.gz PHXXOUFRXHLKKP-GOSISDBHSA-N 0 0 383.452 3.237 50 0 GGAARN COc1ccc(OC)c([C@@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3ncnn32)c1 ZINC000001291644 570956271 /nfs/dbraw/zinc/95/62/71/570956271.db2.gz IVIOIJCPIHDTCK-LJQANCHMSA-N 0 0 398.463 3.460 50 0 GGAARN C[C@@H](Oc1ccccc1)c1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C ZINC000004741865 570956455 /nfs/dbraw/zinc/95/64/55/570956455.db2.gz RJVYJPWUWBTXKF-CYBMUJFWSA-N 0 0 393.472 3.484 50 0 GGAARN Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2Cl)no1 ZINC000012028983 570956557 /nfs/dbraw/zinc/95/65/57/570956557.db2.gz RWEFXZABEFWNKU-ZDUSSCGKSA-N 0 0 398.246 3.298 50 0 GGAARN Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(F)c(F)c2)no1 ZINC000012028762 570956757 /nfs/dbraw/zinc/95/67/57/570956757.db2.gz QIOQRIHVDZIMQY-KRWDZBQOSA-N 0 0 385.370 3.241 50 0 GGAARN COc1cccc(-c2cc(C(=O)NC[C@@H]3CCCN3c3ccccc3)n(C)n2)c1 ZINC000207992847 570956755 /nfs/dbraw/zinc/95/67/55/570956755.db2.gz WZKGVTIGKZOVPN-IBGZPJMESA-N 0 0 390.487 3.495 50 0 GGAARN COc1ccccc1-n1c(=O)c2c3c(sc2nc1SC[C@H](C)O)CCC3 ZINC000001306275 570956805 /nfs/dbraw/zinc/95/68/05/570956805.db2.gz UKVCRXYTKVPVIS-NSHDSACASA-N 0 0 388.514 3.417 50 0 GGAARN CCCn1c(O)c(C(=O)NCCc2ccc(OC)cc2)c(=O)c2ccccc21 ZINC000001306463 570957492 /nfs/dbraw/zinc/95/74/92/570957492.db2.gz VFKBVKCBFWZHCW-UHFFFAOYSA-N 0 0 380.444 3.098 50 0 GGAARN O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2coc3ccc(F)cc3c2=O)[NH2+]1 ZINC000002126384 570957979 /nfs/dbraw/zinc/95/79/79/570957979.db2.gz OWGOLIXIYLAQGD-VQIMIIECSA-N 0 0 378.359 3.102 50 0 biogenic GGAARN O=C(NCc1cccnc1)C1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000033290410 570958134 /nfs/dbraw/zinc/95/81/34/570958134.db2.gz BMSCPJPLGAPNCS-UHFFFAOYSA-N 0 0 387.443 3.304 50 0 GGAARN CC[C@H](C(=O)Nc1cc(C2CC2)nn1-c1nc(C)cc(=O)[nH]1)c1ccccc1 ZINC000012123540 570959740 /nfs/dbraw/zinc/95/97/40/570959740.db2.gz GYVRGWSYPVSPTP-INIZCTEOSA-N 0 0 377.448 3.274 50 0 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ZINC000012226208 570968743 /nfs/dbraw/zinc/96/87/43/570968743.db2.gz ZVGURVAOEWUCDS-UHFFFAOYSA-N 0 0 388.424 3.477 50 0 GGAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)c2ccccc2N3)C1 ZINC000252484332 570968761 /nfs/dbraw/zinc/96/87/61/570968761.db2.gz FULSIJIOPWXLGN-OAHLLOKOSA-N 0 0 393.443 3.411 50 0 GGAARN O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1cccc2ccccc21 ZINC000004165653 570969009 /nfs/dbraw/zinc/96/90/09/570969009.db2.gz LSZBOKJCASODLI-UHFFFAOYSA-N 0 0 395.422 3.374 50 0 GGAARN Cc1sc2nc([C@@H](C)N3CCN(C(=O)C(C)(C)C)CC3)nc(N)c2c1C ZINC000130573766 570969124 /nfs/dbraw/zinc/96/91/24/570969124.db2.gz FLVYMSAUBWVGBQ-GFCCVEGCSA-N 0 0 375.542 3.142 50 0 GGAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)Nc2ccc(Cl)cc2)c3=O)cc1 ZINC000004165804 570969377 /nfs/dbraw/zinc/96/93/77/570969377.db2.gz HMTOEIIACWJKRV-UHFFFAOYSA-N 0 0 393.834 3.183 50 0 GGAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 ZINC000211113477 570970049 /nfs/dbraw/zinc/97/00/49/570970049.db2.gz HSSGBCIJSPYNPQ-IBGZPJMESA-N 0 0 391.876 3.499 50 0 GGAARN Cc1ccc(-n2nnc3c2ncnc3SCC(=O)N2CCCCCC2)cc1 ZINC000004166583 570970142 /nfs/dbraw/zinc/97/01/42/570970142.db2.gz ZJVRPXQCOYGANE-UHFFFAOYSA-N 0 0 382.493 3.014 50 0 GGAARN O=C(CSc1nc(-c2ccccc2)ns1)NCc1ccc2c(c1)OCO2 ZINC000004167288 570970443 /nfs/dbraw/zinc/97/04/43/570970443.db2.gz JMIHOEGOHWGBET-UHFFFAOYSA-N 0 0 385.470 3.342 50 0 GGAARN COc1cc(Cn2nc(C)c3cnn(-c4ccccc4C)c3c2=O)cc(OC)c1 ZINC000012228626 570971625 /nfs/dbraw/zinc/97/16/25/570971625.db2.gz NBSZGKBPUSIKQQ-UHFFFAOYSA-N 0 0 390.443 3.265 50 0 GGAARN CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1 ZINC000002148887 570972264 /nfs/dbraw/zinc/97/22/64/570972264.db2.gz URKPBLISFCMMMQ-KRWDZBQOSA-N 0 0 381.384 3.403 50 0 biogenic GGAARN C[N@H+](CC(=O)[O-])C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725240405 570973879 /nfs/dbraw/zinc/97/38/79/570973879.db2.gz CGFANJPLQNSAHF-UHFFFAOYSA-N 0 0 394.471 3.416 50 0 GGAARN O=C(Nc1nonc1N1C(=O)c2ccccc2C1=O)C12CC3CC(CC(C3)C1)C2 ZINC000004772042 570976391 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O=C(Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O)Nc1ccccc1 ZINC000044839579 570979101 /nfs/dbraw/zinc/97/91/01/570979101.db2.gz WDRGCHOXBBYLMR-UHFFFAOYSA-N 0 0 399.450 3.045 50 0 GGAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O ZINC000044840804 570979400 /nfs/dbraw/zinc/97/94/00/570979400.db2.gz WETJANPCMXIWDB-GFCCVEGCSA-N 0 0 387.386 3.051 50 0 GGAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc(OCC2CCOCC2)nc1 ZINC000252509060 570979651 /nfs/dbraw/zinc/97/96/51/570979651.db2.gz YBUNDDIBDWLJNI-UHFFFAOYSA-N 0 0 379.460 3.341 50 0 GGAARN CC(=O)N(Cc1ccco1)c1nc(C)c(C(=O)N=c2[nH]c3ccccc3[nH]2)s1 ZINC000044891804 570980791 /nfs/dbraw/zinc/98/07/91/570980791.db2.gz ITHMXKNSEWJTSB-UHFFFAOYSA-N 0 0 395.444 3.148 50 0 GGAARN Cc1cc(C)n([C@@H](CNC(=O)c2cncc(Br)c2)c2ccco2)n1 ZINC000585148165 570981241 /nfs/dbraw/zinc/98/12/41/570981241.db2.gz SZEHZDQJKGRULI-HNNXBMFYSA-N 0 0 389.253 3.270 50 0 GGAARN CSc1cccc(NC(=O)COc2coc(CN3CCCCC3)cc2=O)c1 ZINC000044902342 570981731 /nfs/dbraw/zinc/98/17/31/570981731.db2.gz 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1406875301 /nfs/dbraw/zinc/87/53/01/1406875301.db2.gz HNCOYEJSOUOLHL-UHFFFAOYSA-N 0 0 399.491 3.254 50 0 GGAARN Cn1cc(CN2CCOc3ccccc3C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000055090770 1406883576 /nfs/dbraw/zinc/88/35/76/1406883576.db2.gz XARWQCWHICBJMV-UHFFFAOYSA-N 0 0 377.444 3.253 50 0 GGAARN CC[C@@]1(C(=O)OC)C[C@H](C(=O)NC2CCCC2)[C@H](c2ccc(OC)cc2)N1C ZINC000055107485 1406887339 /nfs/dbraw/zinc/88/73/39/1406887339.db2.gz WYLVOLXONSUHGH-IPJJNNNSSA-N 0 0 388.508 3.069 50 0 GGAARN CCOC(=O)C1C(CN2CCC(C)CC2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000055220562 1406906506 /nfs/dbraw/zinc/90/65/06/1406906506.db2.gz CDWAOFDGNBVYJO-FQEVSTJZSA-N 0 0 385.508 3.206 50 0 GGAARN Cc1nc2ccc(Cl)cn2c1CN(CCN1CCOCC1)Cc1ccco1 ZINC000055310659 1406926375 /nfs/dbraw/zinc/92/63/75/1406926375.db2.gz VWINMGIVRRQDGM-UHFFFAOYSA-N 0 0 388.899 3.224 50 0 GGAARN O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1cc(Cl)c(Cl)cc1Cl ZINC000000783200 1398301177 /nfs/dbraw/zinc/30/11/77/1398301177.db2.gz BUTZTBOMTYUJEC-UHFFFAOYSA-N 0 0 396.057 3.303 50 0 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O=C(Nc1cccc(C(F)(F)F)c1)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1 ZINC000003134876 1398327378 /nfs/dbraw/zinc/32/73/78/1398327378.db2.gz MJDRCAQVLFGSTC-UHFFFAOYSA-N 0 0 389.333 3.268 50 0 GGAARN Cc1c(NC(=O)NC(C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000003188901 1398327844 /nfs/dbraw/zinc/32/78/44/1398327844.db2.gz RUNPYPREXUBKFQ-UHFFFAOYSA-N 0 0 396.291 3.099 50 0 GGAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000003302083 1398333501 /nfs/dbraw/zinc/33/35/01/1398333501.db2.gz PAGRKPPGPUEPKC-SFHVURJKSA-N 0 0 392.908 3.200 50 0 GGAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(C)c2)cc(OC)c1OC ZINC000003415322 1398344972 /nfs/dbraw/zinc/34/49/72/1398344972.db2.gz MCGBQIRCQCZNFR-CMDGGOBGSA-N 0 0 385.416 3.216 50 0 GGAARN Cc1coc2cc3oc(=O)c(CCC(=O)NCCCn4ccnc4)c(C)c3cc12 ZINC000003985141 1398376131 /nfs/dbraw/zinc/37/61/31/1398376131.db2.gz BLOZOEBXLKSCDH-UHFFFAOYSA-N 0 0 393.443 3.492 50 0 biogenic GGAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(C(C)=O)cc1 ZINC000004030006 1398376940 /nfs/dbraw/zinc/37/69/40/1398376940.db2.gz ONSWELOJVNEFMS-IBGZPJMESA-N 0 0 379.416 3.276 50 0 biogenic GGAARN CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004030580 1398377095 /nfs/dbraw/zinc/37/70/95/1398377095.db2.gz PIGIYBRGSJKHQI-UQVAWVEYSA-N 0 0 390.520 3.173 50 0 GGAARN O=C1CN(Cc2ccc(Cl)cc2)C(=O)[C@@H]2Cc3c4ccccc4[nH]c3CN12 ZINC000004043218 1398377371 /nfs/dbraw/zinc/37/73/71/1398377371.db2.gz ROGMKDFSAPPSLO-IBGZPJMESA-N 0 0 379.847 3.117 50 0 biogenic GGAARN COc1ccc(OC)c(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc54)CN3C2=O)c1 ZINC000004045763 1398377384 /nfs/dbraw/zinc/37/73/84/1398377384.db2.gz YOXHMQZNFYWHHP-SFHVURJKSA-N 0 0 377.400 3.079 50 0 biogenic GGAARN Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3ccccc32)c(Cl)c1 ZINC000004045908 1398377568 /nfs/dbraw/zinc/37/75/68/1398377568.db2.gz GIQKXLPWPADZNU-QFBILLFUSA-N 0 0 384.819 3.447 50 0 biogenic GGAARN CCOc1ccc(C(=O)NCCn2cc(SCC(N)=O)c3ccccc32)cc1 ZINC000004061005 1398377781 /nfs/dbraw/zinc/37/77/81/1398377781.db2.gz WNOXYUXMMURXRF-UHFFFAOYSA-N 0 0 397.500 3.047 50 0 GGAARN Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3ccccc32)cc1Cl ZINC000004045904 1398377862 /nfs/dbraw/zinc/37/78/62/1398377862.db2.gz UDJJWASZPCQJBV-LPHOPBHVSA-N 0 0 384.819 3.447 50 0 biogenic GGAARN CCCc1cc(=O)oc2cc(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 ZINC000004073727 1398378226 /nfs/dbraw/zinc/37/82/26/1398378226.db2.gz XNGDYRYTOUCVKS-SBUREZEXSA-N 0 0 399.487 3.278 50 0 biogenic GGAARN CCC[C@@H](C)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000004065761 1398378298 /nfs/dbraw/zinc/37/82/98/1398378298.db2.gz DUTGLQDEOLKMSP-KZULUSFZSA-N 0 0 376.453 3.311 50 0 GGAARN CC(C)(C)n1nc2c(c1NC(=O)c1ccc(N3C(=O)CCC3=O)cc1)CSC2 ZINC000004077259 1398378813 /nfs/dbraw/zinc/37/88/13/1398378813.db2.gz SHFOMDJGUGCBQL-UHFFFAOYSA-N 0 0 398.488 3.291 50 0 GGAARN COC(=O)COc1ccc2c(C)c(-c3cc(OC)ccc3OC)c(=O)oc2c1 ZINC000004085596 1398379104 /nfs/dbraw/zinc/37/91/04/1398379104.db2.gz ONTMSUKHCZBLLZ-UHFFFAOYSA-N 0 0 384.384 3.337 50 0 biogenic GGAARN Cc1c(O)ccc2c(C)c(CC(=O)NCCc3c[nH]c4ccccc34)c(=O)oc12 ZINC000004085523 1398379162 /nfs/dbraw/zinc/37/91/62/1398379162.db2.gz CNZKANKTXFLNIP-UHFFFAOYSA-N 0 0 390.439 3.498 50 0 biogenic GGAARN Cc1cc(O)c2c(C)c(CC(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1 ZINC000004090029 1398379744 /nfs/dbraw/zinc/37/97/44/1398379744.db2.gz SLVDYOYFCSLQLY-UHFFFAOYSA-N 0 0 390.439 3.498 50 0 biogenic GGAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCCO)oc1c3CCCC1 ZINC000004089326 1398379814 /nfs/dbraw/zinc/37/98/14/1398379814.db2.gz BNZJYRQCBFOUGI-UHFFFAOYSA-N 0 0 383.444 3.158 50 0 biogenic GGAARN CCN1CCc2c(sc(NC(=O)c3ccc4c(c3)CCCC4)c2C(N)=O)C1 ZINC000004088581 1398379877 /nfs/dbraw/zinc/37/98/77/1398379877.db2.gz XOMUUKFXYRTJGG-UHFFFAOYSA-N 0 0 383.517 3.356 50 0 GGAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C[C@H]1CCCO1)C(=O)c1ccccn1 ZINC000004101224 1398379915 /nfs/dbraw/zinc/37/99/15/1398379915.db2.gz FRGQLPMXKLSPJY-XMSQKQJNSA-N 0 0 387.524 3.320 50 0 GGAARN COc1ccc(-n2nnc3c2ncnc3SCC(=O)c2ccccc2)cc1 ZINC000004101785 1398380299 /nfs/dbraw/zinc/38/02/99/1398380299.db2.gz PDEJMWJZZKYVQN-UHFFFAOYSA-N 0 0 377.429 3.194 50 0 GGAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c1csc2NC(=O)C(C)C ZINC000004121239 1398380618 /nfs/dbraw/zinc/38/06/18/1398380618.db2.gz RSRMCHAZSRUQGV-UHFFFAOYSA-N 0 0 385.445 3.218 50 0 GGAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(F)cc2)C[S@](=O)C3)cc1 ZINC000004106086 1398381042 /nfs/dbraw/zinc/38/10/42/1398381042.db2.gz FAMDCWJJYORLRG-HHHXNRCGSA-N 0 0 385.420 3.035 50 0 GGAARN CCOC(=O)C[C@H](NC(=O)C(=O)c1c[nH]c2ccccc12)c1ccc(C)cc1 ZINC000004163313 1398381486 /nfs/dbraw/zinc/38/14/86/1398381486.db2.gz QISDLHMLIXGYKE-IBGZPJMESA-N 0 0 378.428 3.470 50 0 GGAARN COC(=O)c1ccc([C@H]2NC(=S)N=C(C)C2C(=O)OCc2ccccc2)cc1 ZINC000004184971 1398382377 /nfs/dbraw/zinc/38/23/77/1398382377.db2.gz MICAGWVHMUATAB-GOSISDBHSA-N 0 0 396.468 3.009 50 0 GGAARN COc1ccc(CN(C(=O)c2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004182926 1398382454 /nfs/dbraw/zinc/38/24/54/1398382454.db2.gz BPTOZYBAYNDJHU-KRWDZBQOSA-N 0 0 393.892 3.178 50 0 GGAARN Cc1ccc(N(C(=O)COc2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1Cl ZINC000004165283 1398382486 /nfs/dbraw/zinc/38/24/86/1398382486.db2.gz DDYJYHQAECUIEI-INIZCTEOSA-N 0 0 391.876 3.371 50 0 GGAARN CCc1ccc(CN(C(=O)c2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004183142 1398382717 /nfs/dbraw/zinc/38/27/17/1398382717.db2.gz ZHZZXIJZRIHHFC-IBGZPJMESA-N 0 0 387.501 3.087 50 0 GGAARN Cc1ccccc1-n1nc2c(c1NC(=O)[C@H](C)Oc1ccccc1)C[S@](=O)C2 ZINC000004224636 1398383838 /nfs/dbraw/zinc/38/38/38/1398383838.db2.gz BQAWKILMGRFVIB-OHZJNBGDSA-N 0 0 395.484 3.349 50 0 GGAARN COc1ccc(C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)c(OC)c1 ZINC000004225197 1398384156 /nfs/dbraw/zinc/38/41/56/1398384156.db2.gz YTJUZEYHCJIEMP-UHFFFAOYSA-N 0 0 380.444 3.135 50 0 GGAARN CCOC(=O)N1CCC(Nc2ncnc3c2cnn3-c2cccc(C)c2)CC1 ZINC000004247469 1398385970 /nfs/dbraw/zinc/38/59/70/1398385970.db2.gz FIHVWXVYRJXWMF-UHFFFAOYSA-N 0 0 380.452 3.157 50 0 GGAARN Cc1cccc(NC(=O)CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n32)c1 ZINC000004250035 1398386775 /nfs/dbraw/zinc/38/67/75/1398386775.db2.gz GAERPFKFUITOMW-UHFFFAOYSA-N 0 0 391.456 3.124 50 0 GGAARN O=c1c2nnn(-c3ccc(F)cc3)c2ncn1Cc1cccc(C(F)(F)F)c1 ZINC000004266798 1398387189 /nfs/dbraw/zinc/38/71/89/1398387189.db2.gz AJMFTXVFUJNSDF-UHFFFAOYSA-N 0 0 389.312 3.183 50 0 GGAARN COC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccccc1OCc1ccccc1 ZINC000004263246 1398387315 /nfs/dbraw/zinc/38/73/15/1398387315.db2.gz KRKXVFQLRBFISR-IBGZPJMESA-N 0 0 376.416 3.319 50 0 GGAARN O=c1c2nnn(-c3ccc(F)cc3)c2ncn1Cc1ccc(Cl)cc1Cl ZINC000004266806 1398387574 /nfs/dbraw/zinc/38/75/74/1398387574.db2.gz HSNSYOBVUQRCIT-UHFFFAOYSA-N 0 0 390.205 3.471 50 0 GGAARN O=C(CSc1ncnc2c1nnn2-c1ccccc1)Nc1cccc(F)c1 ZINC000004273697 1398387838 /nfs/dbraw/zinc/38/78/38/1398387838.db2.gz BPFMAQUCLCUJDD-UHFFFAOYSA-N 0 0 380.408 3.080 50 0 GGAARN CCOc1ccc(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1 ZINC000004270499 1398387929 /nfs/dbraw/zinc/38/79/29/1398387929.db2.gz RCRZDUAMSATHAS-UHFFFAOYSA-N 0 0 386.473 3.112 50 0 GGAARN C[C@@H]1CCCN(C(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)C1 ZINC000004272323 1398388041 /nfs/dbraw/zinc/38/80/41/1398388041.db2.gz DRRCHSGNLGUFHK-QGZVFWFLSA-N 0 0 395.503 3.095 50 0 GGAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccccc2F)c2ccccc21 ZINC000004271963 1398388285 /nfs/dbraw/zinc/38/82/85/1398388285.db2.gz QDORSYOYOVHCLF-UHFFFAOYSA-N 0 0 395.434 3.470 50 0 GGAARN C[C@H]1CCCC[C@@H]1NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000004272063 1398388337 /nfs/dbraw/zinc/38/83/37/1398388337.db2.gz BBZOOCCBALUHPX-LPHOPBHVSA-N 0 0 395.503 3.141 50 0 GGAARN COc1ccc(CC[NH2+][C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)[O-])cc1 ZINC000004280137 1398388888 /nfs/dbraw/zinc/38/88/88/1398388888.db2.gz SYTCCOLVIUAAQO-GOSISDBHSA-N 0 0 390.867 3.271 50 0 GGAARN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2F)ccc1O ZINC000004276381 1398388897 /nfs/dbraw/zinc/38/88/97/1398388897.db2.gz YGAONUNFESKWJG-SFHVURJKSA-N 0 0 385.395 3.197 50 0 GGAARN CCc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2S(C)(=O)=O)cc1 ZINC000004278783 1398389184 /nfs/dbraw/zinc/38/91/84/1398389184.db2.gz LXOWBKGHBDPMPV-GOSISDBHSA-N 0 0 388.489 3.377 50 0 GGAARN O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccccn2)cs1 ZINC000004303292 1398390301 /nfs/dbraw/zinc/39/03/01/1398390301.db2.gz KWBGQUSGCVQRIB-UHFFFAOYSA-N 0 0 391.449 3.147 50 0 GGAARN CCOC(=O)c1ccc2nc(NC(=O)c3ccc4c(c3)OCCO4)sc2c1 ZINC000004303142 1398390680 /nfs/dbraw/zinc/39/06/80/1398390680.db2.gz QTWPQNBNIAYKNC-UHFFFAOYSA-N 0 0 384.413 3.497 50 0 GGAARN O=C(CN1C(=O)N/C(=C\c2ccccc2)C1=O)Nc1ccccc1C(F)(F)F ZINC000004316882 1398392273 /nfs/dbraw/zinc/39/22/73/1398392273.db2.gz QRUVETANDBHUMT-GDNBJRDFSA-N 0 0 389.333 3.237 50 0 GGAARN CCn1c2nnc(CCCC(=O)Nc3ccc(C)cc3)n2c2ccsc2c1=O ZINC000004316591 1398392557 /nfs/dbraw/zinc/39/25/57/1398392557.db2.gz JTLYCDOKPGSTTD-UHFFFAOYSA-N 0 0 395.488 3.395 50 0 GGAARN O=C(NCCSc1nc(-c2ccc(F)cc2)c[nH]1)c1ccc2c(c1)OCO2 ZINC000004315740 1398392640 /nfs/dbraw/zinc/39/26/40/1398392640.db2.gz XWKVCLHCAFOXLU-UHFFFAOYSA-N 0 0 385.420 3.467 50 0 GGAARN O=C(NCCSc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccccc1F ZINC000004315863 1398392705 /nfs/dbraw/zinc/39/27/05/1398392705.db2.gz FQWWOXLPSWYBJF-UHFFFAOYSA-N 0 0 384.436 3.063 50 0 GGAARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)N2CCOCC2)cc1 ZINC000004724931 1398402536 /nfs/dbraw/zinc/40/25/36/1398402536.db2.gz GSVKLGTWIJLINI-XFXZXTDPSA-N 0 0 389.455 3.420 50 0 GGAARN CCN(CC)C(=O)CSc1nnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000004844959 1398405348 /nfs/dbraw/zinc/40/53/48/1398405348.db2.gz ZQILLPNUQLLJBD-UHFFFAOYSA-N 0 0 384.914 3.404 50 0 GGAARN Cc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)no1 ZINC000005204130 1398420771 /nfs/dbraw/zinc/42/07/71/1398420771.db2.gz VDVMLOPJWHAXTE-UHFFFAOYSA-N 0 0 375.381 3.175 50 0 GGAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nc4ccccc4s3)n2)cc1 ZINC000005388918 1398439049 /nfs/dbraw/zinc/43/90/49/1398439049.db2.gz XZAAOTYEHFDHGV-UHFFFAOYSA-N 0 0 392.440 3.167 50 0 GGAARN CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3C[C@@H]4O[C@@]45CC4(CC[C@]5(C)[C@H]3CC[C@@]21C)OCCO4 ZINC000005383453 1398439138 /nfs/dbraw/zinc/43/91/38/1398439138.db2.gz MVYBSGOPTLEZOA-LSXNRQBNSA-N 0 0 390.520 3.224 50 0 GGAARN CCCCn1c(O)c(C(=O)NCc2ccccc2OC)c(=O)c2ccccc21 ZINC000005737706 1398472030 /nfs/dbraw/zinc/47/20/30/1398472030.db2.gz AWMCOGXUGPBQIG-UHFFFAOYSA-N 0 0 380.444 3.446 50 0 GGAARN O=C1NC(=O)c2cc(-c3ccc(/C=C4/N=C(c5ccccc5)OC4=O)o3)ccc21 ZINC000005773083 1398475700 /nfs/dbraw/zinc/47/57/00/1398475700.db2.gz KAYUCFPVIVLPDX-GZTJUZNOSA-N 0 0 384.347 3.175 50 0 GGAARN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1csc(-c2ncccn2)n1 ZINC000055428693 1406960371 /nfs/dbraw/zinc/96/03/71/1406960371.db2.gz XBINOOPQBQHLBI-OAHLLOKOSA-N 0 0 382.445 3.410 50 0 GGAARN Cc1ccc(C(=O)NCCCOC(C)C)cc1S(=O)(=O)N1CCCCCC1 ZINC000007881152 1398764454 /nfs/dbraw/zinc/76/44/54/1398764454.db2.gz CIRDXOXDXLUJHK-UHFFFAOYSA-N 0 0 396.553 3.105 50 0 GGAARN O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1)Nc1ccccc1 ZINC000008022670 1398793210 /nfs/dbraw/zinc/79/32/10/1398793210.db2.gz REOKEPOSEZJCML-MRXNPFEDSA-N 0 0 387.486 3.480 50 0 GGAARN COc1ccc(NC(=O)CSc2nnnn2-c2cccc(C)c2C)cc1OC ZINC000008022543 1398793223 /nfs/dbraw/zinc/79/32/23/1398793223.db2.gz MATAFKZMJJZSQQ-UHFFFAOYSA-N 0 0 399.476 3.027 50 0 GGAARN CCS(=O)(=O)N(Cc1ccccc1C)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000008041615 1398796102 /nfs/dbraw/zinc/79/61/02/1398796102.db2.gz QXVHWTODHLRHIK-UHFFFAOYSA-N 0 0 399.516 3.149 50 0 GGAARN CC(C)(C)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1 ZINC000008120897 1398806118 /nfs/dbraw/zinc/80/61/18/1398806118.db2.gz CABOGBCHBYOMSA-UHFFFAOYSA-N 0 0 396.487 3.474 50 0 GGAARN CCCn1c(SCC(=O)N2CCc3ccccc32)nc2ccccc2c1=O ZINC000008195344 1398813081 /nfs/dbraw/zinc/81/30/81/1398813081.db2.gz GASVJFFOGTYOCY-UHFFFAOYSA-N 0 0 379.485 3.488 50 0 GGAARN CC(C)(C)N1C[C@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1=O ZINC000008234432 1398815262 /nfs/dbraw/zinc/81/52/62/1398815262.db2.gz IGSWLBBFURQTBB-OAHLLOKOSA-N 0 0 385.508 3.335 50 0 GGAARN 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/nfs/dbraw/zinc/84/15/20/1398841520.db2.gz FXRQTQOQJWZOQT-HNNXBMFYSA-N 0 0 377.400 3.337 50 0 GGAARN COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)NCc1ccc(F)cc1 ZINC000008604956 1398841532 /nfs/dbraw/zinc/84/15/32/1398841532.db2.gz HQZWDAMOBQWJMI-UHFFFAOYSA-N 0 0 397.424 3.445 50 0 GGAARN O=C(OCc1cc(=O)n2nc(-c3cccs3)sc2n1)c1ccc(F)cc1 ZINC000008605596 1398841546 /nfs/dbraw/zinc/84/15/46/1398841546.db2.gz KJEDZXMVCXSEOS-UHFFFAOYSA-N 0 0 387.417 3.376 50 0 GGAARN Cc1cccc(N2C[C@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCC(C)C)c4=O)c1 ZINC000008658336 1398842988 /nfs/dbraw/zinc/84/29/88/1398842988.db2.gz XVGALWZCJGQVTC-INIZCTEOSA-N 0 0 395.507 3.039 50 0 GGAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2nc3ccc(OC)cc3s2)n1 ZINC000008741266 1398845406 /nfs/dbraw/zinc/84/54/06/1398845406.db2.gz GOMSIRBTTUZRIP-UHFFFAOYSA-N 0 0 390.490 3.072 50 0 GGAARN CCOC(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000008844993 1398847204 /nfs/dbraw/zinc/84/72/04/1398847204.db2.gz DYFGJCSXNBIJTJ-INIZCTEOSA-N 0 0 377.444 3.428 50 0 GGAARN CC[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000008814440 1398847317 /nfs/dbraw/zinc/84/73/17/1398847317.db2.gz NHDHFZMIBVHTII-LBPRGKRZSA-N 0 0 386.506 3.274 50 0 GGAARN CCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C)cc1OC ZINC000008845617 1398847675 /nfs/dbraw/zinc/84/76/75/1398847675.db2.gz AUJXEZUVMGAIGZ-HXUWFJFHSA-N 0 0 379.416 3.365 50 0 GGAARN CC[C@H](C)NC(=O)Cc1csc(SCC(=O)Nc2ccc(OC)cc2)n1 ZINC000008851338 1398847840 /nfs/dbraw/zinc/84/78/40/1398847840.db2.gz IIHJUYSNJSXHHQ-LBPRGKRZSA-N 0 0 393.534 3.340 50 0 GGAARN CC(C)(C)c1ccc(CN(C(=O)c2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008869344 1398848091 /nfs/dbraw/zinc/84/80/91/1398848091.db2.gz SHEHMESOUZRQBQ-QGZVFWFLSA-N 0 0 375.490 3.407 50 0 GGAARN CC(=O)Nc1cccc(NC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)c1 ZINC000008880030 1398848165 /nfs/dbraw/zinc/84/81/65/1398848165.db2.gz JRVVZZDSDFYEDX-UHFFFAOYSA-N 0 0 398.415 3.112 50 0 biogenic GGAARN C[C@H](CCc1ccccc1)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000008880082 1398848190 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Cc1nc2cc(NC(=O)CSc3nnc(-c4ccccc4)n3C)ccc2[nH]1 ZINC000009187493 1398854838 /nfs/dbraw/zinc/85/48/38/1398854838.db2.gz WNYMIWQMMUXOAQ-UHFFFAOYSA-N 0 0 378.461 3.398 50 0 GGAARN CN1C[C@]2(Cc3c4ccccc4ccc31)C(=O)NC(=O)N(Cc1ccccc1)C2=O ZINC000009190200 1398854949 /nfs/dbraw/zinc/85/49/49/1398854949.db2.gz RRRWVPKLDHPVCE-XMMPIXPASA-N 0 0 399.450 3.097 50 0 GGAARN O=C(C[C@]1(O)C(=O)N(Cc2ccccc2F)c2ccccc21)c1ccccn1 ZINC000009190678 1398855019 /nfs/dbraw/zinc/85/50/19/1398855019.db2.gz MQNYNKKNRBAIFG-JOCHJYFZSA-N 0 0 376.387 3.228 50 0 GGAARN CN1C[C@@]2(Cc3c4ccccc4ccc31)C(=O)NC(=O)N(Cc1ccccc1)C2=O ZINC000009190199 1398855031 /nfs/dbraw/zinc/85/50/31/1398855031.db2.gz RRRWVPKLDHPVCE-DEOSSOPVSA-N 0 0 399.450 3.097 50 0 GGAARN COc1ccc(-c2cc(=O)[nH]c(Nc3nc(C)c4cccc(OC)c4n3)n2)cc1 ZINC000009184274 1398855056 /nfs/dbraw/zinc/85/50/56/1398855056.db2.gz XMCYEELTPYXVKI-UHFFFAOYSA-N 0 0 389.415 3.449 50 0 GGAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000009227456 1398855227 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1410322451 /nfs/dbraw/zinc/32/24/51/1410322451.db2.gz FEBAPAWRFUARJH-KRWDZBQOSA-N 0 0 382.441 3.030 50 0 GGAARN CC(C)c1ccc(OCC(=O)N2CC(S(=O)(=O)C3CCCCC3)C2)cc1 ZINC000096104337 1410323129 /nfs/dbraw/zinc/32/31/29/1410323129.db2.gz ZOEYYUHKMSATCB-UHFFFAOYSA-N 0 0 379.522 3.147 50 0 GGAARN COC(=O)N1CCc2ccc(NC(=O)Nc3cccc(OC)c3OC)cc2C1 ZINC000096096292 1410323169 /nfs/dbraw/zinc/32/31/69/1410323169.db2.gz RTRPWBMMLCGKJP-UHFFFAOYSA-N 0 0 385.420 3.472 50 0 GGAARN COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(OCC(C)C)cc2)o1 ZINC000096114731 1410323201 /nfs/dbraw/zinc/32/32/01/1410323201.db2.gz DMNWGZYFWOGUGH-QGZVFWFLSA-N 0 0 390.432 3.222 50 0 biogenic GGAARN O=C(CSCc1ccccc1)N1CCC(S(=O)(=O)Cc2ccco2)CC1 ZINC000096099502 1410323279 /nfs/dbraw/zinc/32/32/79/1410323279.db2.gz FCTWRGYKYMUJKX-UHFFFAOYSA-N 0 0 393.530 3.119 50 0 GGAARN O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1ccc2nsnc2c1 ZINC000096103738 1410323292 /nfs/dbraw/zinc/32/32/92/1410323292.db2.gz KWMXFAJNELRTFB-UHFFFAOYSA-N 0 0 381.383 3.214 50 0 GGAARN CO[C@@H](CNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)c1ccccc1C ZINC000096105011 1410323318 /nfs/dbraw/zinc/32/33/18/1410323318.db2.gz LOPQBRVUOOZKJP-FQEVSTJZSA-N 0 0 389.517 3.224 50 0 GGAARN O=C(CCc1ccccc1F)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103467 1410323323 /nfs/dbraw/zinc/32/33/23/1410323323.db2.gz XUWJFGFWZFKPRU-QGZVFWFLSA-N 0 0 395.883 3.487 50 0 GGAARN COc1ccc(S(=O)(=O)NCC[C@H](O)c2cc3ccccc3o2)cc1C ZINC000096097287 1410323377 /nfs/dbraw/zinc/32/33/77/1410323377.db2.gz XJPOXCZPFKMLCT-INIZCTEOSA-N 0 0 375.446 3.152 50 0 GGAARN Cn1cc([C@H](O)CNS(=O)(=O)c2ccc3c(c2)CCCC3)c2ccccc21 ZINC000096096498 1410323383 /nfs/dbraw/zinc/32/33/83/1410323383.db2.gz UGECOHUTIDJVHZ-OAQYLSRUSA-N 0 0 384.501 3.069 50 0 GGAARN Cn1nc(-c2ccccc2NC(=O)c2cc(-c3cccs3)on2)ccc1=O ZINC000096097807 1410323391 /nfs/dbraw/zinc/32/33/91/1410323391.db2.gz WJAGSJAEWKZAAL-UHFFFAOYSA-N 0 0 378.413 3.416 50 0 GGAARN COc1ccc(CCS(=O)(=O)NCC[C@H](O)c2cc3ccccc3o2)cc1 ZINC000096097293 1410323435 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O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)c1ccc2nsnc2c1 ZINC000096121658 1410324343 /nfs/dbraw/zinc/32/43/43/1410324343.db2.gz SVNAPTYFZUSEEK-UHFFFAOYSA-N 0 0 390.472 3.257 50 0 GGAARN O=S(=O)(/C=C/c1ccccc1)NCCn1nc(C(F)(F)F)c2c1CCCC2 ZINC000096121569 1410324354 /nfs/dbraw/zinc/32/43/54/1410324354.db2.gz UWFFZTWWMKHCPE-JLHYYAGUSA-N 0 0 399.438 3.371 50 0 GGAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(S(=O)(=O)CC(C)C)C1 ZINC000096121988 1410324402 /nfs/dbraw/zinc/32/44/02/1410324402.db2.gz AXVFAEMDQYRSHJ-UHFFFAOYSA-N 0 0 396.896 3.199 50 0 GGAARN COc1ccc(CNC(=O)NCCn2nc(-c3ccccn3)cc2C2CC2)cc1 ZINC000096121756 1410324418 /nfs/dbraw/zinc/32/44/18/1410324418.db2.gz DVFNHRKWFIKKOI-UHFFFAOYSA-N 0 0 391.475 3.331 50 0 GGAARN COc1ccc(S(=O)(=O)NCC2(OC)C3CC4CC(C3)CC2C4)cc1C ZINC000096123887 1410324498 /nfs/dbraw/zinc/32/44/98/1410324498.db2.gz HKLFCRCVGDCUHO-UHFFFAOYSA-N 0 0 379.522 3.123 50 0 GGAARN O=C(/C=C/c1ccco1)N1CCC(CNC(=O)CCc2ccccc2F)CC1 ZINC000096120415 1410324505 /nfs/dbraw/zinc/32/45/05/1410324505.db2.gz 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O=C(NCCn1ccnc1-c1ccccn1)c1cccc(OC(F)(F)F)c1 ZINC000217862367 1433364701 /nfs/dbraw/zinc/36/47/01/1433364701.db2.gz AVUINVLDUFGESD-UHFFFAOYSA-N 0 0 376.338 3.274 50 0 GGAARN CCc1nc2ccc(C(=O)N3CC[C@H](Oc4cc(C)oc(=O)c4)C3)cc2s1 ZINC000218905280 1433365176 /nfs/dbraw/zinc/36/51/76/1433365176.db2.gz KLSFWQMUZRAKLD-AWEZNQCLSA-N 0 0 384.457 3.414 50 0 GGAARN O=C(c1cccc(-n2cnnn2)c1)N1CCS[C@@H](c2ccccc2F)CC1 ZINC000219072013 1433365227 /nfs/dbraw/zinc/36/52/27/1433365227.db2.gz NBAZSTBWQDQSNB-GOSISDBHSA-N 0 0 383.452 3.122 50 0 GGAARN Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1cn2c3c(cccc3c1=O)CC2 ZINC000219546181 1433365351 /nfs/dbraw/zinc/36/53/51/1433365351.db2.gz NGUOTJJDLANWOB-SFHVURJKSA-N 0 0 390.487 3.148 50 0 GGAARN Cn1cc(CCCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc21 ZINC000225418030 1433367012 /nfs/dbraw/zinc/36/70/12/1433367012.db2.gz MSOGULARURXFJD-MJGOQNOKSA-N 0 0 389.499 3.309 50 0 biogenic GGAARN CC(C)Oc1ccc(CCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000225419843 1433367020 /nfs/dbraw/zinc/36/70/20/1433367020.db2.gz MLMHFEJMAHRHPQ-MOPGFXCFSA-N 0 0 380.488 3.214 50 0 biogenic GGAARN O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)c3cccnc3)CC2)[nH]n1 ZINC000225561910 1433367170 /nfs/dbraw/zinc/36/71/70/1433367170.db2.gz UCSFINDYQFRAFW-UHFFFAOYSA-N 0 0 393.422 3.216 50 0 GGAARN Cc1c(C(=O)N[C@@H](c2cccnc2)C2CCOCC2)cnn1-c1ccccc1 ZINC000225621292 1433367320 /nfs/dbraw/zinc/36/73/20/1433367320.db2.gz FSQPKBXXSDOERU-OAQYLSRUSA-N 0 0 376.460 3.473 50 0 GGAARN COc1cc(C)c(C)cc1S(=O)(=O)N[C@H](C)Cc1ccc2c(c1)CCO2 ZINC000225602549 1433367324 /nfs/dbraw/zinc/36/73/24/1433367324.db2.gz PHIQPRSPOAXMGH-OAHLLOKOSA-N 0 0 375.490 3.156 50 0 GGAARN COc1ccc(CNC(=O)N[C@@H](c2cccnc2)C2CCOCC2)cc1OC ZINC000225623695 1433367334 /nfs/dbraw/zinc/36/73/34/1433367334.db2.gz YBIVBYWRFUPKJQ-HXUWFJFHSA-N 0 0 385.464 3.066 50 0 GGAARN COc1ccccc1C1(C(=O)NC[C@@](O)(c2ccco2)c2cccs2)CC1 ZINC000225587568 1433367365 /nfs/dbraw/zinc/36/73/65/1433367365.db2.gz STKTUOMPCDHKFF-OAQYLSRUSA-N 0 0 383.469 3.434 50 0 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/nfs/dbraw/zinc/36/76/52/1433367652.db2.gz UGJXDHZUNRHUGZ-HNNXBMFYSA-N 0 0 382.338 3.078 50 0 GGAARN C[C@@H](O)c1ccc(C2(CNC(=O)C(=O)NCc3cccs3)CCCC2)s1 ZINC000225685212 1433367686 /nfs/dbraw/zinc/36/76/86/1433367686.db2.gz FHNORLFAPRZCOG-CYBMUJFWSA-N 0 0 392.546 3.107 50 0 GGAARN COc1ccc(CNC(=O)NC[C@H](O)c2csc3ccccc32)cc1OC ZINC000225699461 1433367697 /nfs/dbraw/zinc/36/76/97/1433367697.db2.gz ZBVZVPBWIIJRQM-INIZCTEOSA-N 0 0 386.473 3.451 50 0 GGAARN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)Cc1c(F)cccc1Cl ZINC000225711114 1433367720 /nfs/dbraw/zinc/36/77/20/1433367720.db2.gz ZSBNHSJVJPQVET-FQEVSTJZSA-N 0 0 377.843 3.371 50 0 GGAARN O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(N2C(=O)CSC2=O)C1 ZINC000225695466 1433367774 /nfs/dbraw/zinc/36/77/74/1433367774.db2.gz QDZDSQSJAKCIBL-UHFFFAOYSA-N 0 0 386.404 3.138 50 0 GGAARN COc1ccc(CCS(=O)(=O)NC[C@@H](O)c2csc3ccccc32)cc1 ZINC000225696355 1433367802 /nfs/dbraw/zinc/36/78/02/1433367802.db2.gz HDSBFYSXXOFDRV-GOSISDBHSA-N 0 0 391.514 3.105 50 0 GGAARN COC1(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)Cc2ccccc2C1 ZINC000225721436 1433367814 /nfs/dbraw/zinc/36/78/14/1433367814.db2.gz RACWLCLKOCWVPP-UHFFFAOYSA-N 0 0 385.407 3.168 50 0 GGAARN O=C(c1cccnc1O[C@H]1CCSC1)N1CCN(c2ccccc2F)CC1 ZINC000225725391 1433367866 /nfs/dbraw/zinc/36/78/66/1433367866.db2.gz TXJAJCVOFFLINW-HNNXBMFYSA-N 0 0 387.480 3.067 50 0 GGAARN Cc1nc(N2CCN(C(=O)c3cccc4[nH]ccc43)CC2)cc(C(F)(F)F)n1 ZINC000225734254 1433367931 /nfs/dbraw/zinc/36/79/31/1433367931.db2.gz IUKIGNKMTCMRNU-UHFFFAOYSA-N 0 0 389.381 3.248 50 0 GGAARN COc1ccc(C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)c(C)c1 ZINC000225737457 1433367944 /nfs/dbraw/zinc/36/79/44/1433367944.db2.gz UMBWXCAAKUMCFF-UHFFFAOYSA-N 0 0 380.492 3.071 50 0 GGAARN CCSc1ccccc1C(=O)NCc1nnc2cc(-c3nc(C)no3)ccn21 ZINC000225744529 1433368022 /nfs/dbraw/zinc/36/80/22/1433368022.db2.gz NMDHPYBRHZKBLZ-UHFFFAOYSA-N 0 0 394.460 3.130 50 0 GGAARN O=C(Nc1cc(=O)n(-c2ccccc2)[nH]1)c1ccnc(O[C@@H]2CCSC2)c1 ZINC000225721657 1433368029 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Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)c1 ZINC000009165739 212163177 /nfs/dbraw/zinc/16/31/77/212163177.db2.gz VFJQEWPSBYBWCN-UHFFFAOYSA-N 0 0 388.489 3.486 50 0 GGAARN COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(C)n(C)n3)nc21 ZINC000009122247 212162813 /nfs/dbraw/zinc/16/28/13/212162813.db2.gz DAJXQKNEOMMHML-ZDUSSCGKSA-N 0 0 386.477 3.173 50 0 GGAARN Cc1cc(C)c(S(=O)(=O)NC[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c(C)c1 ZINC000009036373 212162839 /nfs/dbraw/zinc/16/28/39/212162839.db2.gz GXTVEGRVRGFKGR-MRXNPFEDSA-N 0 0 390.480 3.082 50 0 GGAARN CC(C)c1ccc(OCC(=O)NC[C@@H]2CN(c3ccc(F)cc3)C(=O)O2)cc1 ZINC000009070602 212162649 /nfs/dbraw/zinc/16/26/49/212162649.db2.gz FGHUETFDCOTLLL-LJQANCHMSA-N 0 0 386.423 3.470 50 0 GGAARN COc1cc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(OC)c1 ZINC000009040042 212162666 /nfs/dbraw/zinc/16/26/66/212162666.db2.gz FPJAUJUWGDDDAV-CYBMUJFWSA-N 0 0 387.411 3.018 50 0 GGAARN CCOc1ccc(N2C[C@@H](CNC(=O)Nc3cccc(OC)c3)CC2=O)cc1 ZINC000009039491 212162685 /nfs/dbraw/zinc/16/26/85/212162685.db2.gz WHEKMMXGRTUNGS-OAHLLOKOSA-N 0 0 383.448 3.269 50 0 GGAARN Cc1ccc(NC(=O)CN2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000009069105 212162357 /nfs/dbraw/zinc/16/23/57/212162357.db2.gz OJPOYLMPBRBPPK-UHFFFAOYSA-N 0 0 377.488 3.235 50 0 GGAARN COc1ccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1OC ZINC000009039848 212162018 /nfs/dbraw/zinc/16/20/18/212162018.db2.gz KWEBPOKZWLDYPD-CYBMUJFWSA-N 0 0 387.411 3.018 50 0 GGAARN CCOc1ccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 ZINC000009039166 212162082 /nfs/dbraw/zinc/16/20/82/212162082.db2.gz AVPDCRFGKKCZSZ-OAHLLOKOSA-N 0 0 383.448 3.269 50 0 GGAARN Cc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc4c(c3)CCCC4)CC2=O)cc1 ZINC000009037206 212162133 /nfs/dbraw/zinc/16/21/33/212162133.db2.gz NKTFCVDYDQLRFV-KRWDZBQOSA-N 0 0 398.528 3.205 50 0 GGAARN CCOc1ccc(N2C[C@H](CNC(=O)Nc3cccc(OC)c3)CC2=O)cc1 ZINC000009039488 212161843 /nfs/dbraw/zinc/16/18/43/212161843.db2.gz WHEKMMXGRTUNGS-HNNXBMFYSA-N 0 0 383.448 3.269 50 0 GGAARN COc1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c(OC)c1 ZINC000009040458 212161503 /nfs/dbraw/zinc/16/15/03/212161503.db2.gz TXYMUHAWLPKJQL-HNNXBMFYSA-N 0 0 383.448 3.187 50 0 GGAARN COc1ccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c(OC)c1 ZINC000009040460 212161663 /nfs/dbraw/zinc/16/16/63/212161663.db2.gz TXYMUHAWLPKJQL-OAHLLOKOSA-N 0 0 383.448 3.187 50 0 GGAARN O=C(NC[C@H]1CN(c2ccc(Cl)cc2)C(=O)O1)c1cc(=O)c2ccccc2o1 ZINC000009072403 212161671 /nfs/dbraw/zinc/16/16/71/212161671.db2.gz GGKUENBWFXSZLJ-AWEZNQCLSA-N 0 0 398.802 3.202 50 0 GGAARN Cc1c(N2C(=O)CS[C@H]2c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000627258 212165254 /nfs/dbraw/zinc/16/52/54/212165254.db2.gz RAWJNFXZMAULQH-FQEVSTJZSA-N 0 0 383.448 3.402 50 0 GGAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)c(OCc2ccccc2)c1 ZINC000000627584 212165349 /nfs/dbraw/zinc/16/53/49/212165349.db2.gz YACXNTFATUJPFA-FQEVSTJZSA-N 0 0 396.443 3.465 50 0 GGAARN CCc1cccc(CC)c1N(COC)C(=O)Cn1cnc2ccccc2c1=O ZINC000000626835 212165371 /nfs/dbraw/zinc/16/53/71/212165371.db2.gz YZUYGYLDTYOEBI-UHFFFAOYSA-N 0 0 379.460 3.158 50 0 GGAARN CN1c2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2OCC(C)(C)C1=O ZINC000009165967 212164732 /nfs/dbraw/zinc/16/47/32/212164732.db2.gz QLIFISPKLKWJPQ-UHFFFAOYSA-N 0 0 392.452 3.149 50 0 GGAARN O=C1C[C@H](CNS(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccccc1 ZINC000009035453 212160686 /nfs/dbraw/zinc/16/06/86/212160686.db2.gz ALFIPIOLUVENLY-CYBMUJFWSA-N 0 0 398.406 3.037 50 0 GGAARN COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1CC(=O)N(c2ccccc2F)C1=O)C3 ZINC000036369816 212160740 /nfs/dbraw/zinc/16/07/40/212160740.db2.gz IMEOERJGAHZYGL-HXUWFJFHSA-N 0 0 393.418 3.006 50 0 biogenic GGAARN CCC[C@H]([NH3+])[C@@H](O)[C@@H](C(=O)OCC1c2ccccc2-c2ccccc21)C([O-])=S ZINC000090414774 212151445 /nfs/dbraw/zinc/15/14/45/212151445.db2.gz UIURKPDSKXKLAW-SLFFLAALSA-N 0 0 399.512 3.332 50 0 GGAARN CCOC(=O)C1=C(N)Oc2c3cc(C)ccc3[nH]c(=O)c2[C@H]1c1ccccc1 ZINC000003984361 212146989 /nfs/dbraw/zinc/14/69/89/212146989.db2.gz CMSCEIHNIPNQNZ-MRXNPFEDSA-N 0 0 376.412 3.094 50 0 biogenic GGAARN COc1ccc(-c2c(C(F)(F)F)oc3cc(OCC(N)=O)ccc3c2=O)cc1 ZINC000005149624 212146378 /nfs/dbraw/zinc/14/63/78/212146378.db2.gz UWSAYYXISZKLPM-UHFFFAOYSA-N 0 0 393.317 3.352 50 0 GGAARN CCc1cc2c(cc1OS(C)(=O)=O)occ(-c1nc3ccccc3n1C)c2=O ZINC000006133801 212148375 /nfs/dbraw/zinc/14/83/75/212148375.db2.gz NXVKKSYHHNNACZ-UHFFFAOYSA-N 0 0 398.440 3.248 50 0 GGAARN COC(=O)COc1ccc2oc(=O)c(-c3cc(OC)ccc3OC)c(C)c2c1 ZINC000004085610 212145607 /nfs/dbraw/zinc/14/56/07/212145607.db2.gz HOZHMQWWVBJJCI-UHFFFAOYSA-N 0 0 384.384 3.337 50 0 biogenic GGAARN COC(=O)COc1ccc2c(c1)oc(=O)cc2-c1cc2ccccc2oc1=O ZINC000002135698 212144835 /nfs/dbraw/zinc/14/48/35/212144835.db2.gz JVXHQJDMILOHCC-UHFFFAOYSA-N 0 0 378.336 3.118 50 0 biogenic GGAARN Cc1c(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc2c3c(c(=O)oc12)CCC3 ZINC000002147818 212144510 /nfs/dbraw/zinc/14/45/10/212144510.db2.gz FXRUKGVQHKHLLM-LBPRGKRZSA-N 0 0 387.432 3.409 50 0 biogenic GGAARN COC(=O)c1ccc(C(=O)OC)c(NCc2cc(=O)oc3cc(C)ccc23)c1 ZINC000002154643 212144195 /nfs/dbraw/zinc/14/41/95/212144195.db2.gz QJMUWQDJVQBDKR-UHFFFAOYSA-N 0 0 381.384 3.287 50 0 biogenic GGAARN COc1ccc(-c2cc3c(=O)n(C[C@H](O)c4ccc(F)cc4)ccn3n2)cc1 ZINC000263619462 212143488 /nfs/dbraw/zinc/14/34/88/212143488.db2.gz YTHXLMXUBOKUDN-FQEVSTJZSA-N 0 0 379.391 3.044 50 0 GGAARN O=C(NC1CCCCC1)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 ZINC000263618321 212143461 /nfs/dbraw/zinc/14/34/61/212143461.db2.gz SIUTZVZUIJKIAR-UHFFFAOYSA-N 0 0 381.524 3.273 50 0 GGAARN COc1ccc(C2=NOC3(CCN(C(=O)c4ccc(C)cc4)CC3)N2)cc1F ZINC000263618805 212143032 /nfs/dbraw/zinc/14/30/32/212143032.db2.gz VQOOVFZXHHFJMV-UHFFFAOYSA-N 0 0 383.423 3.057 50 0 GGAARN COc1ccc([C@@H]2Cn3cnc(C(=O)NCc4ccc(F)cc4)c3CO2)cc1 ZINC000263619088 212143038 /nfs/dbraw/zinc/14/30/38/212143038.db2.gz WVICJLPJGSDNMD-IBGZPJMESA-N 0 0 381.407 3.232 50 0 GGAARN COc1ccc(Cn2ccn3nc(-c4ccc(C)cc4)c(CO)c3c2=O)cc1 ZINC000263618498 212142941 /nfs/dbraw/zinc/14/29/41/212142941.db2.gz UCDFFXDKMQDSSP-UHFFFAOYSA-N 0 0 375.428 3.021 50 0 GGAARN COc1ccc(-c2cc3n(n2)[C@@H](NCc2cccc(Cl)c2)CNC3=O)cc1 ZINC000263617250 212141911 /nfs/dbraw/zinc/14/19/11/212141911.db2.gz MXKYRUVDUNHDMS-LJQANCHMSA-N 0 0 382.851 3.244 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4cccc(Cl)c4)c3CO2)cc1 ZINC000263616676 212141932 /nfs/dbraw/zinc/14/19/32/212141932.db2.gz JZXXJFRAFLFHJM-QGZVFWFLSA-N 0 0 384.823 3.464 50 0 GGAARN O=C1NC[C@@H](NCc2ccc(F)c(Cl)c2)n2nc(-c3cccs3)cc21 ZINC000263615706 212141696 /nfs/dbraw/zinc/14/16/96/212141696.db2.gz DTAKFEZIDLFXGD-INIZCTEOSA-N 0 0 376.844 3.436 50 0 GGAARN COc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccccn5)no4)cc3CO2)cc1 ZINC000263616788 212141739 /nfs/dbraw/zinc/14/17/39/212141739.db2.gz KNUVGUCWEGBYNN-SFHVURJKSA-N 0 0 375.388 3.275 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)NCCC4=CCCCC4)c3CO2)cc1 ZINC000263617392 212141767 /nfs/dbraw/zinc/14/17/67/212141767.db2.gz NOEVJEOJYKTGBT-LJQANCHMSA-N 0 0 382.464 3.179 50 0 GGAARN COc1ccc([C@@H]2Cn3nc(-c4nc(-c5cccnc5)no4)cc3CO2)cc1 ZINC000263616472 212141868 /nfs/dbraw/zinc/14/18/68/212141868.db2.gz IWRYFNCMGFZEAG-SFHVURJKSA-N 0 0 375.388 3.275 50 0 GGAARN COc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc(F)cc4)ccn3n2)cc1 ZINC000263619463 212142201 /nfs/dbraw/zinc/14/22/01/212142201.db2.gz YTHXLMXUBOKUDN-HXUWFJFHSA-N 0 0 379.391 3.044 50 0 GGAARN Cc1ccc(-c2cc3n(n2)[C@@H](NCc2cc(F)ccc2F)CNC3=O)c(C)c1 ZINC000263618829 212142208 /nfs/dbraw/zinc/14/22/08/212142208.db2.gz VSOSSIORKIMFLE-HXUWFJFHSA-N 0 0 382.414 3.477 50 0 GGAARN COc1ccc(NC(=O)c2nnn3c2CO[C@H](c2ccc(C)cc2)C3)cc1OC ZINC000263615515 212140999 /nfs/dbraw/zinc/14/09/99/212140999.db2.gz CTNTWHIMZYKAKH-IBGZPJMESA-N 0 0 394.431 3.128 50 0 GGAARN CSc1ccc(CN[C@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 ZINC000263616607 212141583 /nfs/dbraw/zinc/14/15/83/212141583.db2.gz JRMHUPINVKEJEU-LJQANCHMSA-N 0 0 382.464 3.443 50 0 GGAARN Cc1cn2nc(C(=O)Nc3ccc(C(=O)NC4CCCCC4)cc3)cc2c(=O)[nH]1 ZINC000263617077 212141623 /nfs/dbraw/zinc/14/16/23/212141623.db2.gz LYLJKCVLGDQGDK-UHFFFAOYSA-N 0 0 393.447 3.058 50 0 GGAARN CC(C)c1noc(-c2ccn3c(c2)nnc3CNC(=O)c2cccc(Cl)c2)n1 ZINC000263617439 212141361 /nfs/dbraw/zinc/14/13/61/212141361.db2.gz NUSQHHVTODJRMN-UHFFFAOYSA-N 0 0 396.838 3.486 50 0 GGAARN COC(=O)c1cn(Cc2ccc(OCc3ccccc3)cc2)cc2c(=O)[nH]nc1-2 ZINC000263588835 212141444 /nfs/dbraw/zinc/14/14/44/212141444.db2.gz ZBUVNVRNMZXXFY-UHFFFAOYSA-N 0 0 389.411 3.090 50 0 GGAARN Cc1ccc(CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)cc1 ZINC000263615868 212141451 /nfs/dbraw/zinc/14/14/51/212141451.db2.gz FPFFAIMYGOFRFI-UHFFFAOYSA-N 0 0 392.444 3.021 50 0 GGAARN O=C(CC1(n2cccc2)CCOCC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000263587422 212141125 /nfs/dbraw/zinc/14/11/25/212141125.db2.gz GTYAHRINHBHVQJ-UHFFFAOYSA-N 0 0 387.911 3.386 50 0 GGAARN O=C(c1nccc2ccccc21)N1CCc2nn(Cc3ccccc3)c(=O)cc2C1 ZINC000263616836 212141135 /nfs/dbraw/zinc/14/11/35/212141135.db2.gz KUGGAMLXEWWQHX-UHFFFAOYSA-N 0 0 396.450 3.038 50 0 GGAARN COc1ccc(NC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)cc1F ZINC000263616457 212141140 /nfs/dbraw/zinc/14/11/40/212141140.db2.gz IUMFEMIUXZMOIM-KRWDZBQOSA-N 0 0 386.358 3.089 50 0 GGAARN O=C(C[C@@H](c1ccsc1)n1cccc1)NCCn1c(CO)nc2ccccc21 ZINC000263587911 212141146 /nfs/dbraw/zinc/14/11/46/212141146.db2.gz MTPKBGUIDTZSFO-IBGZPJMESA-N 0 0 394.500 3.188 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4ccccc4Cl)c3CO2)cc1 ZINC000263616248 212141196 /nfs/dbraw/zinc/14/11/96/212141196.db2.gz HTFUZAUHBCCXPL-SFHVURJKSA-N 0 0 398.850 3.142 50 0 GGAARN CSCC[C@H](C(=O)N1CCN(CCn2c(C)ccc2C)CC1)n1cccc1 ZINC000263587464 212141293 /nfs/dbraw/zinc/14/12/93/212141293.db2.gz HCCASLAPXBOGSZ-HXUWFJFHSA-N 0 0 388.581 3.045 50 0 GGAARN COc1ccc(CN[C@H]2CNC(=O)c3cc(-c4ccc(Cl)cc4)nn32)cc1 ZINC000263616509 212141312 /nfs/dbraw/zinc/14/13/12/212141312.db2.gz JCHDETIRXKERHY-LJQANCHMSA-N 0 0 382.851 3.244 50 0 GGAARN COc1ccc([C@H](O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 ZINC000263616758 212140911 /nfs/dbraw/zinc/14/09/11/212140911.db2.gz KJYWCEXKFZWIPL-HXUWFJFHSA-N 0 0 379.391 3.044 50 0 GGAARN COc1ccc(CN[C@@H]2CNC(=O)c3cc(-c4ccc(Cl)cc4)nn32)cc1 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VRHBEEVYQOTJEY-UHFFFAOYSA-N 0 0 395.228 3.450 50 0 GGAARN O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1cccc(C(F)(F)F)c1 ZINC000003497666 220650731 /nfs/dbraw/zinc/65/07/31/220650731.db2.gz KAQHXCSVWVFQGO-OAHLLOKOSA-N 0 0 381.306 3.027 50 0 GGAARN Cc1ccc(N2C(=O)N[C@](NC(=O)C3CCCCC3)(C(F)(F)F)C2=O)cc1C ZINC000003626761 220661337 /nfs/dbraw/zinc/66/13/37/220661337.db2.gz JELHECQDUFHVQB-SFHVURJKSA-N 0 0 397.397 3.315 50 0 GGAARN COc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S@@](=O)C3)c1 ZINC000004106128 220680820 /nfs/dbraw/zinc/68/08/20/220680820.db2.gz VECMHXCVELFJST-HHHXNRCGSA-N 0 0 381.457 3.204 50 0 GGAARN COc1ccc(/C=c2/sc3nc(-c4cccc(Cl)c4)nn3c2=O)c(OC)c1 ZINC000003637265 220662121 /nfs/dbraw/zinc/66/21/21/220662121.db2.gz AMXCZRXFNUYZOF-CXUHLZMHSA-N 0 0 399.859 3.036 50 0 GGAARN Cc1ccc(S(=O)(=O)NC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000004003545 220670274 /nfs/dbraw/zinc/67/02/74/220670274.db2.gz NTXRDJKEVMAWOX-QGZVFWFLSA-N 0 0 394.496 3.442 50 0 GGAARN COc1ccccc1Nc1nc([C@]2(C)C[C@]3(C[C@H](C)OC3=O)C(=O)O2)cs1 ZINC000003999819 220670360 /nfs/dbraw/zinc/67/03/60/220670360.db2.gz BPDVNLRXMMCAFG-BKOMCJNNSA-N 0 0 388.445 3.379 50 0 biogenic GGAARN COc1ccc(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc54)CN3C2=O)c(OC)c1 ZINC000004043748 220673239 /nfs/dbraw/zinc/67/32/39/220673239.db2.gz IQNGMFNMLLEHJN-SFHVURJKSA-N 0 0 377.400 3.079 50 0 biogenic GGAARN CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc(F)c1 ZINC000004036132 220674174 /nfs/dbraw/zinc/67/41/74/220674174.db2.gz YQQSJHKKLJJWGS-GOSISDBHSA-N 0 0 389.452 3.285 50 0 GGAARN COC(=O)C(C(=O)OC)[C@H](CC(=O)c1cccs1)c1ccccc1OC ZINC000004050861 220675382 /nfs/dbraw/zinc/67/53/82/220675382.db2.gz PGCJDAPHXFKTRT-CYBMUJFWSA-N 0 0 376.430 3.076 50 0 GGAARN CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1Br ZINC000004064418 220676799 /nfs/dbraw/zinc/67/67/99/220676799.db2.gz IAVGFPPUOTVIOV-CQSZACIVSA-N 0 0 399.310 3.373 50 0 GGAARN CN1CC(=O)N2C[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000004074080 220677448 /nfs/dbraw/zinc/67/74/48/220677448.db2.gz ACHLBUGZAPTWBJ-NYHFZMIOSA-N 0 0 393.874 3.483 50 0 biogenic GGAARN CSc1nc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2s1 ZINC000004079199 220677733 /nfs/dbraw/zinc/67/77/33/220677733.db2.gz HWTNUVWVQFNECY-UHFFFAOYSA-N 0 0 383.454 3.253 50 0 GGAARN O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 ZINC000004082006 220677927 /nfs/dbraw/zinc/67/79/27/220677927.db2.gz FSMJLDBTPRGNTG-GHTZIAJQSA-N 0 0 377.469 3.097 50 0 biogenic GGAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(CCc2ccccc2)C(=O)[C@]31C ZINC000004073646 220678015 /nfs/dbraw/zinc/67/80/15/220678015.db2.gz ZQNQVMMCYVNCSX-QHCPKHFHSA-N 0 0 389.455 3.455 50 0 biogenic GGAARN C[C@@]12c3[nH]c4ccccc4c3[C@@H](c3ccccc3Cl)CN1C(=O)CNC2=O ZINC000004083132 220678498 /nfs/dbraw/zinc/67/84/98/220678498.db2.gz BGUNXXDBZWTCMZ-SZNDQCEHSA-N 0 0 379.847 3.140 50 0 biogenic GGAARN COc1ccccc1CNC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O ZINC000004089554 220679931 /nfs/dbraw/zinc/67/99/31/220679931.db2.gz MUUDDBCIUWIEHR-UHFFFAOYSA-N 0 0 381.428 3.286 50 0 biogenic GGAARN Cc1cccc(-n2nc3c(c2NC(=O)COc2ccccc2)C[S@@](=O)C3)c1C ZINC000004224695 220694414 /nfs/dbraw/zinc/69/44/14/220694414.db2.gz SJLNYMPBOHPTGJ-NDEPHWFRSA-N 0 0 395.484 3.269 50 0 GGAARN O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)c1ccccc1 ZINC000004224372 220695192 /nfs/dbraw/zinc/69/51/92/220695192.db2.gz AOESYZUFIRYHPK-UHFFFAOYSA-N 0 0 387.848 3.206 50 0 GGAARN COc1ccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c(OC)c1 ZINC000004223999 220695495 /nfs/dbraw/zinc/69/54/95/220695495.db2.gz YSQNAMIASSOTFI-UHFFFAOYSA-N 0 0 383.473 3.276 50 0 GGAARN Cc1nnc(NC(=O)CSc2nccn2Cc2ccc(Cl)cc2)s1 ZINC000004248817 220696659 /nfs/dbraw/zinc/69/66/59/220696659.db2.gz GWBSPCPWBUQSGD-UHFFFAOYSA-N 0 0 379.898 3.476 50 0 GGAARN CCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2cc(Cl)ccc2C)n(C)c1=O ZINC000004250861 220697663 /nfs/dbraw/zinc/69/76/63/220697663.db2.gz AZMGKLKOUKXFGE-UHFFFAOYSA-N 0 0 399.882 3.127 50 0 GGAARN COc1ccc(C(=O)CSc2ncnc3c2nnn3Cc2ccccc2)cc1 ZINC000004268800 220698771 /nfs/dbraw/zinc/69/87/71/220698771.db2.gz JXIUDUVOYLVRPC-UHFFFAOYSA-N 0 0 391.456 3.253 50 0 GGAARN COC(=O)c1ccc(CN2C(=O)S[C@H](Nc3ccc(OC)cc3)C2=O)cc1 ZINC000004271896 220699003 /nfs/dbraw/zinc/69/90/03/220699003.db2.gz QJCRMVNVCRSEEW-INIZCTEOSA-N 0 0 386.429 3.115 50 0 GGAARN Cc1ccccc1NC(=O)CSc1ncnc2c1nnn2-c1ccccc1 ZINC000004273676 220699030 /nfs/dbraw/zinc/69/90/30/220699030.db2.gz LARNIACPQXURMG-UHFFFAOYSA-N 0 0 376.445 3.250 50 0 GGAARN Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000004110351 220682192 /nfs/dbraw/zinc/68/21/92/220682192.db2.gz RCICDUFHDROFDI-DOPJRALCSA-N 0 0 390.892 3.296 50 0 GGAARN CCCCOC(=O)c1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1 ZINC000004121162 220684053 /nfs/dbraw/zinc/68/40/53/220684053.db2.gz FZESAHMIBWQUPN-UHFFFAOYSA-N 0 0 385.445 3.274 50 0 GGAARN CCOc1ccc(-n2nnc3c2ncn(Cc2c(F)cccc2Cl)c3=O)cc1 ZINC000004139943 220684657 /nfs/dbraw/zinc/68/46/57/220684657.db2.gz WWDUJIOZYNMYCB-UHFFFAOYSA-N 0 0 399.813 3.217 50 0 GGAARN CC(C)(C)n1ncc2c1ncn(CC(=O)Nc1ccc(C(F)(F)F)cc1)c2=O ZINC000004166247 220688929 /nfs/dbraw/zinc/68/89/29/220688929.db2.gz QKGBFJCCKLOBCU-UHFFFAOYSA-N 0 0 393.369 3.006 50 0 GGAARN O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)NC1CCCCC1 ZINC000004164573 220688992 /nfs/dbraw/zinc/68/89/92/220688992.db2.gz CCWANXBVEWIBMX-UHFFFAOYSA-N 0 0 385.468 3.471 50 0 GGAARN COc1cccc(C(=O)N(Cc2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000004185628 220691609 /nfs/dbraw/zinc/69/16/09/220691609.db2.gz WOEGTBFKNBUDND-KRWDZBQOSA-N 0 0 393.892 3.178 50 0 GGAARN CC1=NC(=S)N[C@@H](c2ccc(Br)cc2)C1C(=O)OCC(C)C ZINC000004185178 220691853 /nfs/dbraw/zinc/69/18/53/220691853.db2.gz PNEMWUZIHYOELL-AWEZNQCLSA-N 0 0 383.311 3.441 50 0 GGAARN CCc1ccc(CN(C(=O)c2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004183150 220691896 /nfs/dbraw/zinc/69/18/96/220691896.db2.gz YXCYICQVNCJSIM-LJQANCHMSA-N 0 0 375.465 3.218 50 0 GGAARN COc1cccc(C(=O)Oc2cccc(N3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)c1 ZINC000004207941 220693056 /nfs/dbraw/zinc/69/30/56/220693056.db2.gz GEZXVZODDNGZEM-YKLJGAPNSA-N 0 0 391.423 3.450 50 0 GGAARN CCC1(COC(NC(=O)c2cccnc2)(C(F)(F)F)C(F)(F)F)COC1 ZINC000004208917 220693585 /nfs/dbraw/zinc/69/35/85/220693585.db2.gz JFLAPZMXQYHEAU-UHFFFAOYSA-N 0 0 386.292 3.076 50 0 GGAARN CC[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1ccc(=O)[nH]c1 ZINC000004193964 220693788 /nfs/dbraw/zinc/69/37/88/220693788.db2.gz DNXDZFBKIKBVMX-JOCHJYFZSA-N 0 0 399.491 3.228 50 0 GGAARN COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2)c1 ZINC000004384710 220713973 /nfs/dbraw/zinc/71/39/73/220713973.db2.gz PVMSKTCUPZOKTH-LJQANCHMSA-N 0 0 391.431 3.223 50 0 GGAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3nccn3C)cc1)CC2 ZINC000426555403 533170631 /nfs/dbraw/zinc/17/06/31/533170631.db2.gz FWBUHGQWUVGNFX-UHFFFAOYSA-N 0 0 377.444 3.303 50 0 GGAARN COc1ccc(-c2nnc(NC(=O)c3cc(OC)cc(OC)c3)o2)c(OC)c1 ZINC000004276110 220700962 /nfs/dbraw/zinc/70/09/62/220700962.db2.gz OPBJTNHTRPRCBH-UHFFFAOYSA-N 0 0 385.376 3.023 50 0 GGAARN COc1ccc(-c2nnc(NC(=O)c3ccc(OC)c(OC)c3)o2)c(OC)c1 ZINC000004276111 220701364 /nfs/dbraw/zinc/70/13/64/220701364.db2.gz YHGXCQQBFULNNR-UHFFFAOYSA-N 0 0 385.376 3.023 50 0 GGAARN CCOc1cccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)c1 ZINC000004318651 220704504 /nfs/dbraw/zinc/70/45/04/220704504.db2.gz NDGXRPUOKBMJTD-RWVXMSMHSA-N 0 0 375.453 3.268 50 0 GGAARN CCOc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000004313859 220704541 /nfs/dbraw/zinc/70/45/41/220704541.db2.gz OWJXJNZFPSHCSH-UHFFFAOYSA-N 0 0 382.869 3.143 50 0 GGAARN CCCCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(CCCCC)c(=O)n1C ZINC000004316668 220705719 /nfs/dbraw/zinc/70/57/19/220705719.db2.gz DWAFVZGNVLVGJC-OAHLLOKOSA-N 0 0 388.516 3.034 50 0 GGAARN O=C(CSc1ccc2nnc(-c3cccs3)n2n1)NCc1ccccc1 ZINC000004326688 220706567 /nfs/dbraw/zinc/70/65/67/220706567.db2.gz XUSCHQSNPXGVGN-UHFFFAOYSA-N 0 0 381.486 3.261 50 0 GGAARN O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1cccc(F)c1 ZINC000004328037 220706596 /nfs/dbraw/zinc/70/65/96/220706596.db2.gz MBAZOOMTOLJDTJ-UHFFFAOYSA-N 0 0 380.408 3.056 50 0 GGAARN COc1ccc2nc(NC(=O)CCS(=O)(=O)c3ccccc3)sc2c1 ZINC000004325465 220706625 /nfs/dbraw/zinc/70/66/25/220706625.db2.gz COTXUXFIDSEDNR-UHFFFAOYSA-N 0 0 376.459 3.107 50 0 GGAARN O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)Nc1ccccc1F ZINC000004327667 220706649 /nfs/dbraw/zinc/70/66/49/220706649.db2.gz GLUOBAUKAGZUEG-UHFFFAOYSA-N 0 0 380.408 3.056 50 0 GGAARN Cc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccccn3)n2n1 ZINC000004326903 220706655 /nfs/dbraw/zinc/70/66/55/220706655.db2.gz KDQGYSKDMLSINN-UHFFFAOYSA-N 0 0 376.445 3.226 50 0 GGAARN COc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)cc1 ZINC000004329724 220706979 /nfs/dbraw/zinc/70/69/79/220706979.db2.gz JTYJPJSWMACVJC-UHFFFAOYSA-N 0 0 396.426 3.343 50 0 GGAARN Cc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccncc3)n2n1 ZINC000004328006 220707395 /nfs/dbraw/zinc/70/73/95/220707395.db2.gz XYWSQHQQWQKSLM-UHFFFAOYSA-N 0 0 376.445 3.226 50 0 GGAARN O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)Nc1ccc(F)cc1F ZINC000004327685 220707470 /nfs/dbraw/zinc/70/74/70/220707470.db2.gz VTSRHNAHBWMVFY-UHFFFAOYSA-N 0 0 398.398 3.195 50 0 GGAARN Cn1c(SCC(=O)Nc2cccc3ccccc32)nc2c(c1=O)SCC2 ZINC000004339288 220708844 /nfs/dbraw/zinc/70/88/44/220708844.db2.gz YTIXUUQELGCZTN-UHFFFAOYSA-N 0 0 383.498 3.313 50 0 GGAARN CCOc1ccc(N2C[C@@H](NC(=O)Nc3cc(C)ccc3OC)CC2=O)cc1 ZINC000004373706 220712281 /nfs/dbraw/zinc/71/22/81/220712281.db2.gz GKLXSJANRWBPID-HNNXBMFYSA-N 0 0 383.448 3.329 50 0 GGAARN C[C@@H](C(=O)N(C)Cc1cc(-c2ccccc2)no1)n1cnc2ccccc2c1=O ZINC000426594895 533176038 /nfs/dbraw/zinc/17/60/38/533176038.db2.gz OIRLYJWKZQTPNZ-HNNXBMFYSA-N 0 0 388.427 3.271 50 0 GGAARN COc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 ZINC000004555473 220730633 /nfs/dbraw/zinc/73/06/33/220730633.db2.gz LDWWXXUDDMTKHF-CQSZACIVSA-N 0 0 387.819 3.128 50 0 GGAARN CCCCN1c2ccccc2[C@@](O)(CC(=O)c2ccc3c(c2)OCCO3)C1=O ZINC000004554885 220731481 /nfs/dbraw/zinc/73/14/81/220731481.db2.gz BEBWVTHUYPXXQB-QFIPXVFZSA-N 0 0 381.428 3.065 50 0 GGAARN 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Cc1ccc(CCN2C(=O)c3ccccc3[C@H]2C(=O)NCc2cccnc2)cc1 ZINC000008323775 221036688 /nfs/dbraw/zinc/03/66/88/221036688.db2.gz OTCZEUJYLQBOFA-QFIPXVFZSA-N 0 0 385.467 3.446 50 0 GGAARN CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1nc2ccccc2[nH]1 ZINC000008341430 221037982 /nfs/dbraw/zinc/03/79/82/221037982.db2.gz ZEJDGGFEXLPNLH-LAUBAEHRSA-N 0 0 390.487 3.425 50 0 GGAARN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O ZINC000008336295 221038359 /nfs/dbraw/zinc/03/83/59/221038359.db2.gz GLNOTDZPCPARRT-UHFFFAOYSA-N 0 0 388.823 3.331 50 0 GGAARN CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1O ZINC000008391770 221039378 /nfs/dbraw/zinc/03/93/78/221039378.db2.gz TXHHTZFXFPUOFP-SNVBAGLBSA-N 0 0 375.479 3.246 50 0 GGAARN CCOc1ccc(C(=O)NCCNC(=O)c2cccs2)cc1Br ZINC000008401642 221039585 /nfs/dbraw/zinc/03/95/85/221039585.db2.gz JVCTXXCLVPSWQW-UHFFFAOYSA-N 0 0 397.294 3.069 50 0 GGAARN O=C(NCCCNC(=O)c1ccc(Br)o1)c1cc2ccccc2[nH]1 ZINC000008404462 221040380 /nfs/dbraw/zinc/04/03/80/221040380.db2.gz 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Cc1c(S(=O)(=O)CCNC(=O)Nc2cccc(C)c2)c2ccccc2n1C ZINC000008808461 221060203 /nfs/dbraw/zinc/06/02/03/221060203.db2.gz SDDGJTNIGMPPQK-UHFFFAOYSA-N 0 0 385.489 3.391 50 0 GGAARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2nc3ccc(C)cc3s2)n1 ZINC000008868070 221060795 /nfs/dbraw/zinc/06/07/95/221060795.db2.gz IZPMVBCFLMZWOR-UHFFFAOYSA-N 0 0 396.881 3.094 50 0 GGAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@]12c1ccccc1N(C)C2=O ZINC000008867798 221060861 /nfs/dbraw/zinc/06/08/61/221060861.db2.gz HILXCNNXKNBCAC-HSZRJFAPSA-N 0 0 388.423 3.269 50 0 GGAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccnc2)N1Cc1cccnc1 ZINC000008845471 221060867 /nfs/dbraw/zinc/06/08/67/221060867.db2.gz DEGKUSGFWUCJNS-NRFANRHFSA-N 0 0 383.411 3.318 50 0 GGAARN COc1cc([C@H]2CC(c3ccc4c(c3)OCO4)=NN2C(C)=O)cc(OC)c1OC ZINC000008867318 221061343 /nfs/dbraw/zinc/06/13/43/221061343.db2.gz DSUSHVBFDNYXMR-MRXNPFEDSA-N 0 0 398.415 3.139 50 0 GGAARN CCOC(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000008845033 221061539 /nfs/dbraw/zinc/06/15/39/221061539.db2.gz IHUMXQGQIQNZCI-HNNXBMFYSA-N 0 0 393.443 3.129 50 0 GGAARN CCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(O)c1 ZINC000008867738 221061552 /nfs/dbraw/zinc/06/15/52/221061552.db2.gz CTSSAPXTTWCQOW-LJQANCHMSA-N 0 0 379.412 3.470 50 0 GGAARN Cc1ccc(COC(=O)N(Cc2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008868985 221061576 /nfs/dbraw/zinc/06/15/76/221061576.db2.gz YZPARGOYWOPLMH-IBGZPJMESA-N 0 0 391.464 3.460 50 0 GGAARN COc1cc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2C(C)=O)cc(OC)c1OC ZINC000008867317 221061580 /nfs/dbraw/zinc/06/15/80/221061580.db2.gz DSUSHVBFDNYXMR-INIZCTEOSA-N 0 0 398.415 3.139 50 0 GGAARN CCOC(=O)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000008845039 221061678 /nfs/dbraw/zinc/06/16/78/221061678.db2.gz IRZLVFUMYNOWBM-INIZCTEOSA-N 0 0 377.444 3.428 50 0 GGAARN CCOC(=O)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000008845032 221061711 /nfs/dbraw/zinc/06/17/11/221061711.db2.gz IHUMXQGQIQNZCI-OAHLLOKOSA-N 0 0 393.443 3.129 50 0 GGAARN O=C(Nc1cccc(O)c1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC000008906925 221062021 /nfs/dbraw/zinc/06/20/21/221062021.db2.gz DEYDZIHZVDATFB-UHFFFAOYSA-N 0 0 386.407 3.483 50 0 GGAARN O=C(Cc1ccccc1Cl)Nc1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000008910996 221062610 /nfs/dbraw/zinc/06/26/10/221062610.db2.gz QDVBLJJZYSXTQX-HNNXBMFYSA-N 0 0 398.846 3.296 50 0 GGAARN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccnc2)CC1 ZINC000008904424 221063167 /nfs/dbraw/zinc/06/31/67/221063167.db2.gz FHNWCGNUXALQST-UHFFFAOYSA-N 0 0 386.883 3.292 50 0 GGAARN Cc1cc(=O)oc2c3c(cc(OCC(=O)Nc4ncccn4)c12)OC(C)(C)CC3 ZINC000008879829 221063321 /nfs/dbraw/zinc/06/33/21/221063321.db2.gz AJDHLGYJCASWAI-UHFFFAOYSA-N 0 0 395.415 3.013 50 0 biogenic GGAARN COc1cc(C(=O)OCc2cc3cc(C)ccc3[nH]c2=O)cc(OC)c1OC ZINC000008917821 221064076 /nfs/dbraw/zinc/06/40/76/221064076.db2.gz OMLBXKSYBLCOBF-UHFFFAOYSA-N 0 0 383.400 3.219 50 0 biogenic GGAARN Cc1nc2sccn2c(=O)c1NC(=O)Cc1ccc(Br)cc1 ZINC000008931669 221064083 /nfs/dbraw/zinc/06/40/83/221064083.db2.gz KNWUUUJJEQJQHC-UHFFFAOYSA-N 0 0 378.251 3.008 50 0 GGAARN COc1ccc(C(=O)N(C/C=C/c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008917411 221064374 /nfs/dbraw/zinc/06/43/74/221064374.db2.gz MWMJWSOLVOGFMZ-MEQKGCOVSA-N 0 0 385.485 3.038 50 0 GGAARN Cc1csc2nc(C)c(NC(=O)c3ccc(Br)cc3)c(=O)n12 ZINC000008931733 221064699 /nfs/dbraw/zinc/06/46/99/221064699.db2.gz ZSLYZYWXOUABOS-UHFFFAOYSA-N 0 0 378.251 3.388 50 0 GGAARN CN(C)S(=O)(=O)Oc1ccsc1C(=O)Nc1ccccc1C(F)(F)F ZINC000008925772 221064869 /nfs/dbraw/zinc/06/48/69/221064869.db2.gz HXAUSAWXLBYXQO-UHFFFAOYSA-N 0 0 394.396 3.204 50 0 GGAARN CCCNc1nc(SC)nc2c1cnn2CCNC(=O)CC1CCCC1 ZINC000008940243 221064883 /nfs/dbraw/zinc/06/48/83/221064883.db2.gz SIKSKDSTZCZAMF-UHFFFAOYSA-N 0 0 376.530 3.067 50 0 GGAARN O=C(N[C@@]1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O)C1CCCCC1 ZINC000008970355 221065220 /nfs/dbraw/zinc/06/52/20/221065220.db2.gz NRZZNXMTWRNEIQ-MRXNPFEDSA-N 0 0 375.391 3.030 50 0 GGAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c(C)c1 ZINC000008962489 221065803 /nfs/dbraw/zinc/06/58/03/221065803.db2.gz ORIUTDMMQKCVMV-UHFFFAOYSA-N 0 0 387.461 3.029 50 0 GGAARN O=c1c2ccccc2[nH]c(=S)n1-c1ncn(Cc2ccc(F)cc2Cl)n1 ZINC000008436552 221041575 /nfs/dbraw/zinc/04/15/75/221041575.db2.gz CCXODSQCOZGVIF-UHFFFAOYSA-N 0 0 387.827 3.481 50 0 GGAARN Cc1cc(NC(=O)COC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)no1 ZINC000008475009 221042599 /nfs/dbraw/zinc/04/25/99/221042599.db2.gz UJUOIMQVSFDMQA-UHFFFAOYSA-N 0 0 393.399 3.339 50 0 GGAARN COc1ccc(C(=O)Nc2c(F)cccc2F)cc1S(=O)(=O)N1CCCC1 ZINC000008476137 221042776 /nfs/dbraw/zinc/04/27/76/221042776.db2.gz JGUMBTQBQSGULY-UHFFFAOYSA-N 0 0 396.415 3.010 50 0 GGAARN CSc1cccc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000008499877 221042915 /nfs/dbraw/zinc/04/29/15/221042915.db2.gz VWSSCEJOILTRFY-UHFFFAOYSA-N 0 0 386.445 3.091 50 0 GGAARN Cc1coc2cc3oc(=O)c(CC(=O)Nc4ccccc4C(N)=O)c(C)c3cc12 ZINC000008511416 221043729 /nfs/dbraw/zinc/04/37/29/221043729.db2.gz OFKSYGBXGPINCW-UHFFFAOYSA-N 0 0 390.395 3.436 50 0 biogenic GGAARN COc1cccc(-c2noc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)n2)c1OC ZINC000008605054 221045597 /nfs/dbraw/zinc/04/55/97/221045597.db2.gz SYKFGEQMLIASNK-GFCCVEGCSA-N 0 0 383.379 3.413 50 0 GGAARN Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)c3ccncc3)cc2c1 ZINC000008606893 221045896 /nfs/dbraw/zinc/04/58/96/221045896.db2.gz DCWSVHWWKLFIPF-IBGZPJMESA-N 0 0 377.444 3.053 50 0 GGAARN CCCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(C)cc2)n(C)c1=O ZINC000008625542 221047166 /nfs/dbraw/zinc/04/71/66/221047166.db2.gz OZGYMGFRJDFBAK-INIZCTEOSA-N 0 0 395.507 3.183 50 0 GGAARN CCc1ccc(-n2nc(CO)c(C(=O)N[C@@H](C)c3ccc(Cl)cc3)n2)cc1 ZINC000008613739 221047276 /nfs/dbraw/zinc/04/72/76/221047276.db2.gz AUNBWAKKDXIOQY-ZDUSSCGKSA-N 0 0 384.867 3.466 50 0 GGAARN CCCCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(C)c2)n(C)c1=O ZINC000008625547 221047433 /nfs/dbraw/zinc/04/74/33/221047433.db2.gz ABBPQMZMZNQGBN-MRXNPFEDSA-N 0 0 395.507 3.183 50 0 GGAARN Cc1ccc(-n2nc(CO)c(C(=O)NCCCCc3ccccc3)n2)cc1C ZINC000008613596 221047543 /nfs/dbraw/zinc/04/75/43/221047543.db2.gz AODZTXMXQXOHER-UHFFFAOYSA-N 0 0 378.476 3.129 50 0 GGAARN CCCCCCn1c(=O)c2c(nc3n2CCCN3c2cccc(C)c2)n(C)c1=O ZINC000008625402 221047640 /nfs/dbraw/zinc/04/76/40/221047640.db2.gz SKFRUPCVWBZUBL-UHFFFAOYSA-N 0 0 395.507 3.327 50 0 GGAARN CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(C)c(C)c2)n(C)c1=O ZINC000008628271 221047849 /nfs/dbraw/zinc/04/78/49/221047849.db2.gz XRWPIVDRCAGTTP-AWEZNQCLSA-N 0 0 395.507 3.101 50 0 GGAARN CCCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc21 ZINC000008628366 221047925 /nfs/dbraw/zinc/04/79/25/221047925.db2.gz CRHRPKLHZCMMGG-UHFFFAOYSA-N 0 0 394.500 3.137 50 0 GGAARN CCCc1cc(=O)[nH]c(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)n1 ZINC000008662677 221048396 /nfs/dbraw/zinc/04/83/96/221048396.db2.gz UASHOOVUVOQKBP-UHFFFAOYSA-N 0 0 375.538 3.147 50 0 GGAARN Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(CCC(C)C)c4=O)cc1C ZINC000008658330 221048440 /nfs/dbraw/zinc/04/84/40/221048440.db2.gz JFQMGQABINELMN-UHFFFAOYSA-N 0 0 395.507 3.101 50 0 GGAARN Cc1ccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCC(C)C)c4=O)cc1 ZINC000008658333 221048682 /nfs/dbraw/zinc/04/86/82/221048682.db2.gz GBKXNKDVTZCYIZ-MRXNPFEDSA-N 0 0 395.507 3.039 50 0 GGAARN CCc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccco3)s2)CC1=O ZINC000008654690 221048790 /nfs/dbraw/zinc/04/87/90/221048790.db2.gz ORMSKDLGLWXIES-CYBMUJFWSA-N 0 0 382.445 3.466 50 0 GGAARN CCc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(CCC(C)C)c4=O)cc1 ZINC000008654146 221048842 /nfs/dbraw/zinc/04/88/42/221048842.db2.gz NXJXOQRKQWRAMF-UHFFFAOYSA-N 0 0 395.507 3.047 50 0 GGAARN Cc1cc2cc(CCNC(=O)c3ccc(Br)o3)c(=O)[nH]c2cc1C ZINC000008673152 221048852 /nfs/dbraw/zinc/04/88/52/221048852.db2.gz RQMUJRQFJXFLLI-UHFFFAOYSA-N 0 0 389.249 3.473 50 0 GGAARN Cc1cccc(N2C[C@@H](C)Cn3c4c(nc32)n(C)c(=O)n(CCC(C)C)c4=O)c1 ZINC000008658335 221049059 /nfs/dbraw/zinc/04/90/59/221049059.db2.gz XVGALWZCJGQVTC-MRXNPFEDSA-N 0 0 395.507 3.039 50 0 GGAARN O=C(Cn1c(NCCO)nc2ccccc21)c1ccc(Br)s1 ZINC000008643192 221049088 /nfs/dbraw/zinc/04/90/88/221049088.db2.gz IUWDZUOXJCZMAM-UHFFFAOYSA-N 0 0 380.267 3.147 50 0 GGAARN COc1ccc2c(c1)[C@H]1NC(=S)N[C@@](C)(O2)[C@@H]1C(=O)Nc1ccc(C)cc1C ZINC000008682936 221049413 /nfs/dbraw/zinc/04/94/13/221049413.db2.gz SKGFNVJFCBPWOT-UEXGIBASSA-N 0 0 397.500 3.194 50 0 GGAARN Cc1ccc(NC(=S)N[C@@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)cc1 ZINC000008692068 221049532 /nfs/dbraw/zinc/04/95/32/221049532.db2.gz FXTYSFLXNCTLMF-JTQLQIEISA-N 0 0 383.732 3.249 50 0 GGAARN CCOC(=O)c1cnc(SC)nc1SCC(=O)Nc1ccc(Cl)cn1 ZINC000008717005 221051697 /nfs/dbraw/zinc/05/16/97/221051697.db2.gz XEXCWDGDPJCEAZ-UHFFFAOYSA-N 0 0 398.897 3.154 50 0 GGAARN COc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c(OC)cc1Br ZINC000008714820 221051769 /nfs/dbraw/zinc/05/17/69/221051769.db2.gz UHQSYVWBLNBMIR-JQWIXIFHSA-N 0 0 392.315 3.323 50 0 GGAARN C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(I)cc1 ZINC000008714831 221051943 /nfs/dbraw/zinc/05/19/43/221051943.db2.gz 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Cn1c(SCC(=O)c2cc3ccccc3oc2=O)nnc1-c1ccc(N)cc1 ZINC000009145590 221072313 /nfs/dbraw/zinc/07/23/13/221072313.db2.gz HISIASUPLPVTDM-UHFFFAOYSA-N 0 0 392.440 3.146 50 0 GGAARN Cc1cc(NC(=O)[C@H](Sc2nnnn2-c2ccccc2)c2ccccc2)no1 ZINC000009194049 221073183 /nfs/dbraw/zinc/07/31/83/221073183.db2.gz BIHKFTHKVMTAIZ-QGZVFWFLSA-N 0 0 392.444 3.431 50 0 GGAARN COc1ccc(/C=c2\sc3nnc(-c4ccc(Cl)cc4)n3c2=O)cc1OC ZINC000009190112 221073611 /nfs/dbraw/zinc/07/36/11/221073611.db2.gz ZEYXKJQSGGGOAO-YBEGLDIGSA-N 0 0 399.859 3.036 50 0 GGAARN CCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1cc(OC)cc(OC)c1 ZINC000009192541 221073834 /nfs/dbraw/zinc/07/38/34/221073834.db2.gz IYXRSYGOWPEHMP-UHFFFAOYSA-N 0 0 396.443 3.216 50 0 GGAARN CCc1c(C)nc(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)[nH]c1=O ZINC000009191526 221073841 /nfs/dbraw/zinc/07/38/41/221073841.db2.gz BPZPFSWQHJFMIZ-BUBBNXEVSA-N 0 0 389.565 3.454 50 0 GGAARN CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000009192263 221073856 /nfs/dbraw/zinc/07/38/56/221073856.db2.gz KOLDGJWDWXSTQJ-UHFFFAOYSA-N 0 0 396.443 3.216 50 0 GGAARN Cc1cccc(OCC(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)c1C ZINC000009192685 221073930 /nfs/dbraw/zinc/07/39/30/221073930.db2.gz ZDBIQDYCYICUFC-UHFFFAOYSA-N 0 0 399.516 3.032 50 0 GGAARN COc1ccccc1NC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(C)cc1 ZINC000009237363 221074624 /nfs/dbraw/zinc/07/46/24/221074624.db2.gz WZZNPEGEXSTNJE-ZWKOTPCHSA-N 0 0 395.488 3.301 50 0 GGAARN COc1ccc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(F)cc2)cc1 ZINC000009237624 221074695 /nfs/dbraw/zinc/07/46/95/221074695.db2.gz XRPGXFQNLDQPFF-IRXDYDNUSA-N 0 0 399.451 3.132 50 0 GGAARN CCOc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2)cc1 ZINC000009236538 221074738 /nfs/dbraw/zinc/07/47/38/221074738.db2.gz NOPDQEZFADIBMS-ZWKOTPCHSA-N 0 0 395.488 3.383 50 0 GGAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2cccc(C)c2)cc1 ZINC000009236790 221074875 /nfs/dbraw/zinc/07/48/75/221074875.db2.gz QURKGNAZTDEBRY-ROUUACIJSA-N 0 0 395.488 3.301 50 0 GGAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccccc2C)cc1 ZINC000009236821 221074918 /nfs/dbraw/zinc/07/49/18/221074918.db2.gz YYBQJYWDUUMIKE-ZWKOTPCHSA-N 0 0 395.488 3.301 50 0 GGAARN COc1ccc([C@@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(F)cc2)cc1 ZINC000009236831 221074926 /nfs/dbraw/zinc/07/49/26/221074926.db2.gz ZUMGODTZMLXDMB-DLBZAZTESA-N 0 0 399.451 3.132 50 0 GGAARN CCCC1=Nc2nc(C)nn2[C@@H](c2ccc(OC)c(OC)c2)C1C(=O)OCC ZINC000009225363 221074967 /nfs/dbraw/zinc/07/49/67/221074967.db2.gz WYXOFIRJJCPXIM-SFHVURJKSA-N 0 0 386.452 3.236 50 0 GGAARN Cc1cnc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)s1 ZINC000009236716 221075056 /nfs/dbraw/zinc/07/50/56/221075056.db2.gz NLIIWBOSYWCLFB-JTQLQIEISA-N 0 0 380.267 3.206 50 0 GGAARN CCCC1=Nc2nc(C)nn2[C@H](c2ccc(OC)c(OC)c2)C1C(=O)OCC ZINC000009225364 221075106 /nfs/dbraw/zinc/07/51/06/221075106.db2.gz WYXOFIRJJCPXIM-GOSISDBHSA-N 0 0 386.452 3.236 50 0 GGAARN COc1ccc(CN2CCCN(Cc3cccc(Cl)c3)S2(=O)=O)cc1 ZINC000009224639 221075130 /nfs/dbraw/zinc/07/51/30/221075130.db2.gz RWNQWXOUVKSACP-UHFFFAOYSA-N 0 0 380.897 3.301 50 0 GGAARN CCc1cccc(C)c1NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O ZINC000009227423 221075133 /nfs/dbraw/zinc/07/51/33/221075133.db2.gz OEQUSRIZVRFZPJ-UHFFFAOYSA-N 0 0 378.469 3.097 50 0 GGAARN Cc1nnc2n1N[C@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1ccc(F)cc1)S2 ZINC000009237266 221075143 /nfs/dbraw/zinc/07/51/43/221075143.db2.gz JBBUCZPROBRSDQ-SJORKVTESA-N 0 0 383.452 3.432 50 0 GGAARN Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1ccc(F)cc1)S2 ZINC000009237647 221075160 /nfs/dbraw/zinc/07/51/60/221075160.db2.gz KRPSZTRGTMDBFS-HZPDHXFCSA-N 0 0 387.415 3.263 50 0 GGAARN CCOCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)s1 ZINC000009224849 221075178 /nfs/dbraw/zinc/07/51/78/221075178.db2.gz BXAZXTBIRXGXGR-CQSZACIVSA-N 0 0 388.493 3.041 50 0 GGAARN CCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccccc1 ZINC000009239028 221075585 /nfs/dbraw/zinc/07/55/85/221075585.db2.gz ISJMCCSMYIVLNF-IAGOWNOFSA-N 0 0 379.489 3.230 50 0 GGAARN O=C(c1ccccc1F)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000009266182 221075633 /nfs/dbraw/zinc/07/56/33/221075633.db2.gz CTMMIPIWARPMHN-UHFFFAOYSA-N 0 0 395.478 3.027 50 0 GGAARN CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(O)c(OC)c1 ZINC000009262242 221075704 /nfs/dbraw/zinc/07/57/04/221075704.db2.gz DQPPEDVDJLUGNY-SJORKVTESA-N 0 0 381.388 3.121 50 0 GGAARN CCc1nnc2sc(-c3ccc(NC(=O)COc4ccccc4)cc3)nn12 ZINC000009252411 221075763 /nfs/dbraw/zinc/07/57/63/221075763.db2.gz XZNRMUHHUBBROP-UHFFFAOYSA-N 0 0 379.445 3.433 50 0 GGAARN Cc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)N1CCCCC1)S2 ZINC000009238425 221075848 /nfs/dbraw/zinc/07/58/48/221075848.db2.gz CXEWPMFSVYXGMP-CABCVRRESA-N 0 0 377.901 3.012 50 0 GGAARN Cc1nnc2n1N[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccccc1)S2 ZINC000009238444 221075931 /nfs/dbraw/zinc/07/59/31/221075931.db2.gz LMKPSBPJURAYPA-SJORKVTESA-N 0 0 399.907 3.315 50 0 GGAARN COc1cccc(NC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)c1 ZINC000009253062 221075968 /nfs/dbraw/zinc/07/59/68/221075968.db2.gz NSKBSQYHFPESAH-UHFFFAOYSA-N 0 0 383.400 3.308 50 0 GGAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2snnc2C)cc1 ZINC000009250894 221075990 /nfs/dbraw/zinc/07/59/90/221075990.db2.gz VTPZCVRZHHBVJK-CQSZACIVSA-N 0 0 394.522 3.052 50 0 GGAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2snnc2C)cc1 ZINC000009250895 221076265 /nfs/dbraw/zinc/07/62/65/221076265.db2.gz VTPZCVRZHHBVJK-AWEZNQCLSA-N 0 0 394.522 3.052 50 0 GGAARN Cn1c(CC(=O)Nc2ccccc2F)nnc1SCCOc1ccccc1 ZINC000009263746 221076335 /nfs/dbraw/zinc/07/63/35/221076335.db2.gz USVVTIIOLYBPFV-UHFFFAOYSA-N 0 0 386.452 3.307 50 0 GGAARN COc1ccc(C(=O)N2CCN(c3nsc4ccccc43)CC2)cc1OC ZINC000009305987 221076638 /nfs/dbraw/zinc/07/66/38/221076638.db2.gz LVPWRKWGIZYBEK-UHFFFAOYSA-N 0 0 383.473 3.276 50 0 GGAARN CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000009304932 221076662 /nfs/dbraw/zinc/07/66/62/221076662.db2.gz RGDKBLOYWGFQMP-UHFFFAOYSA-N 0 0 380.640 3.093 50 0 GGAARN Cc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccc(F)cc1F ZINC000009300456 221076788 /nfs/dbraw/zinc/07/67/88/221076788.db2.gz IDABWNDUPPIYMS-UHFFFAOYSA-N 0 0 383.314 3.300 50 0 GGAARN COc1ccccc1/N=c1\scc(-c2ccc(OC)c(OC)c2)n1CCO ZINC000009317528 221076868 /nfs/dbraw/zinc/07/68/68/221076868.db2.gz KNLKWKMYGUHGCY-MRCUWXFGSA-N 0 0 386.473 3.467 50 0 GGAARN Cc1ccc(Cc2c(C)nc3nc(CC(=O)NCc4ccccc4)nn3c2C)cc1 ZINC000009303990 221077322 /nfs/dbraw/zinc/07/73/22/221077322.db2.gz LVFPZQPBUMNICS-UHFFFAOYSA-N 0 0 399.498 3.499 50 0 GGAARN CC(=O)c1ccc(NC(=O)Cn2ccn3nc(-c4ccccc4)cc3c2=O)cc1 ZINC000009321059 221077582 /nfs/dbraw/zinc/07/75/82/221077582.db2.gz KFPDXZSXYLXNKO-UHFFFAOYSA-N 0 0 386.411 3.004 50 0 GGAARN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)ccc1O ZINC000009331884 221077586 /nfs/dbraw/zinc/07/75/86/221077586.db2.gz POEGDYNMIINLSU-SFHVURJKSA-N 0 0 385.395 3.197 50 0 GGAARN O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)Nc1ccc(Cl)cc1 ZINC000009320986 221077626 /nfs/dbraw/zinc/07/76/26/221077626.db2.gz ADFKAMMVLFUMRK-UHFFFAOYSA-N 0 0 378.819 3.455 50 0 GGAARN Cc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(F)cc4)ccn3n2)cc1 ZINC000009321072 221077689 /nfs/dbraw/zinc/07/76/89/221077689.db2.gz BXSGGRIYDDZQIM-UHFFFAOYSA-N 0 0 376.391 3.249 50 0 GGAARN O=C(Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O)NCc1cccs1 ZINC000009327594 221077719 /nfs/dbraw/zinc/07/77/19/221077719.db2.gz IDKFOYNQYWVNIU-UHFFFAOYSA-N 0 0 398.875 3.194 50 0 GGAARN CC(C)(C)NC(=O)CSc1nnc(NC(=O)CCc2ccccc2)s1 ZINC000009330867 221077819 /nfs/dbraw/zinc/07/78/19/221077819.db2.gz JUROUUVVLBAMIE-UHFFFAOYSA-N 0 0 378.523 3.116 50 0 GGAARN CC[C@@H](Sc1nnc(NC(C)=O)s1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000009332828 221078139 /nfs/dbraw/zinc/07/81/39/221078139.db2.gz KVKJWUKAXIJWBM-CYBMUJFWSA-N 0 0 378.479 3.209 50 0 GGAARN COc1ccccc1Nc1nc([C@]2(C)C[C@]3(C[C@@H](C)OC3=O)C(=O)O2)cs1 ZINC000009328422 221078426 /nfs/dbraw/zinc/07/84/26/221078426.db2.gz BPDVNLRXMMCAFG-VMKIBOBSSA-N 0 0 388.445 3.379 50 0 biogenic GGAARN O=C(Cn1ccn2nc(-c3ccccc3)cc2c1=O)NCc1ccccc1Cl ZINC000009321054 221078560 /nfs/dbraw/zinc/07/85/60/221078560.db2.gz LZHQSGGWGFSXEW-UHFFFAOYSA-N 0 0 392.846 3.133 50 0 GGAARN COc1ccc(CN(C(C)=O)c2ccc3c(c2)nc(Cn2cccn2)n3C)cc1 ZINC000009356282 221078941 /nfs/dbraw/zinc/07/89/41/221078941.db2.gz LCRKRBHYLQTBTK-UHFFFAOYSA-N 0 0 389.459 3.380 50 0 GGAARN COC(=O)Cn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CCCC4)c1=O ZINC000009423828 221079746 /nfs/dbraw/zinc/07/97/46/221079746.db2.gz KVHWDDPTIXSLJV-UHFFFAOYSA-N 0 0 395.440 3.318 50 0 GGAARN COc1ccc(-c2nnc3sc(-c4cc(CC(C)C)[nH]n4)nn32)cc1OC ZINC000009421110 221079765 /nfs/dbraw/zinc/07/97/65/221079765.db2.gz VYNZVNGPPYQOOW-UHFFFAOYSA-N 0 0 384.465 3.459 50 0 GGAARN CC(=O)Nc1cccc(C(=O)N2CCN(c3cc(C)c4ccccc4n3)CC2)c1 ZINC000009419913 221079873 /nfs/dbraw/zinc/07/98/73/221079873.db2.gz LQCMCPGZBUCWGJ-UHFFFAOYSA-N 0 0 388.471 3.464 50 0 GGAARN C[C@H](Sc1ncnc2[nH]cnc21)C(=O)Nc1ccc(Br)cc1F ZINC000009421692 221079912 /nfs/dbraw/zinc/07/99/12/221079912.db2.gz KYGPNZHMELYZDP-ZETCQYMHSA-N 0 0 396.245 3.374 50 0 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CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000011694395 221121795 /nfs/dbraw/zinc/12/17/95/221121795.db2.gz COVVGZJLEGZMFZ-UHFFFAOYSA-N 0 0 397.406 3.459 50 0 GGAARN Cc1cccc(C(=O)NCCOc2ccc3nnc(-c4ccc(F)cc4)n3n2)c1 ZINC000011693854 221121953 /nfs/dbraw/zinc/12/19/53/221121953.db2.gz YEKYFCGICMUUOL-UHFFFAOYSA-N 0 0 391.406 3.048 50 0 GGAARN Cc1cc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)n(C(C)C)n1 ZINC000011695209 221121961 /nfs/dbraw/zinc/12/19/61/221121961.db2.gz KZJSCNFXHBEFAW-CQSZACIVSA-N 0 0 396.538 3.016 50 0 GGAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(OC)cc2)N1C(C)=O ZINC000011692261 221121994 /nfs/dbraw/zinc/12/19/94/221121994.db2.gz AOCWUKDEKQDBEQ-PZJWPPBQSA-N 0 0 378.428 3.212 50 0 GGAARN COc1ccccc1CNC(=O)c1cc2c(cc1Br)OCCO2 ZINC000011689864 221122076 /nfs/dbraw/zinc/12/20/76/221122076.db2.gz FTZYULATHHBFSD-UHFFFAOYSA-N 0 0 378.222 3.159 50 0 GGAARN COc1ccccc1NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1N ZINC000011693055 221122149 /nfs/dbraw/zinc/12/21/49/221122149.db2.gz 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221136692 /nfs/dbraw/zinc/13/66/92/221136692.db2.gz YBPXLQNZZNXIFF-UHFFFAOYSA-N 0 0 385.807 3.155 50 0 GGAARN Cc1c([C@@H](C)NC(=O)c2cnc(CN3CCCC3)s2)cnn1-c1ccccn1 ZINC000011933603 221137458 /nfs/dbraw/zinc/13/74/58/221137458.db2.gz ZOOAYTOACCZDHJ-CQSZACIVSA-N 0 0 396.520 3.119 50 0 GGAARN CC(=O)c1ccc(-c2nnc(CCC(=O)N[C@H](C)Cc3ncccc3C)o2)s1 ZINC000011932889 221137693 /nfs/dbraw/zinc/13/76/93/221137693.db2.gz JMKXESPENMBXBY-CYBMUJFWSA-N 0 0 398.488 3.384 50 0 GGAARN O=C(C[C@H](c1ccccc1)c1ccc2c(c1)OCO2)NCc1[nH]nc2c1CCC2 ZINC000011933514 221137924 /nfs/dbraw/zinc/13/79/24/221137924.db2.gz UYXFIKQPGNTIST-GOSISDBHSA-N 0 0 389.455 3.466 50 0 GGAARN COc1ccc(Cc2nc3ccc(C(=O)N(C)Cc4nccn4C)cc3o2)cc1 ZINC000011934295 221138128 /nfs/dbraw/zinc/13/81/28/221138128.db2.gz SMWCERDDNOMLEV-UHFFFAOYSA-N 0 0 390.443 3.433 50 0 GGAARN Cc1ccc(OCc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)no2)cn1 ZINC000011937756 221138566 /nfs/dbraw/zinc/13/85/66/221138566.db2.gz JSQWXVQRANAOJO-UHFFFAOYSA-N 0 0 396.422 3.059 50 0 GGAARN CCc1nccn1CCC(=O)N1CCC[C@@H](C(=O)c2cc(F)ccc2OC)C1 ZINC000011935477 221138607 /nfs/dbraw/zinc/13/86/07/221138607.db2.gz IFZULJPPNXVOEH-OAHLLOKOSA-N 0 0 387.455 3.105 50 0 GGAARN O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1cn(CCCc2ccccc2)nn1 ZINC000011937456 221138704 /nfs/dbraw/zinc/13/87/04/221138704.db2.gz RUDGSVRUBWETJG-KRWDZBQOSA-N 0 0 389.381 3.339 50 0 GGAARN O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1cn(C/C=C/c2ccccc2)nn1 ZINC000011935386 221138796 /nfs/dbraw/zinc/13/87/96/221138796.db2.gz OTQRFOKLXXJEMC-CLNPQZTCSA-N 0 0 398.470 3.359 50 0 GGAARN COc1ccc(-c2cnnc(N(C)Cc3[nH]nc4c3CCCCC4)n2)c(OC)c1 ZINC000011935735 221139043 /nfs/dbraw/zinc/13/90/43/221139043.db2.gz GLDPIMVKWXGJAG-UHFFFAOYSA-N 0 0 394.479 3.184 50 0 GGAARN O=C(CCc1cccs1)N1CC[C@@]2(C1)CCCN(Cc1cccnc1)C2=O ZINC000011937760 221139145 /nfs/dbraw/zinc/13/91/45/221139145.db2.gz IFPFMWDQYJGXFB-OAQYLSRUSA-N 0 0 383.517 3.117 50 0 GGAARN O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1cn(C/C=C/c2ccccc2)nn1 ZINC000011935387 221139225 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Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)CSCc2ccccc2)n1 ZINC000012123478 221156507 /nfs/dbraw/zinc/15/65/07/221156507.db2.gz ZVRUJWBGFAJBMJ-UHFFFAOYSA-N 0 0 395.488 3.013 50 0 GGAARN Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2ccccc2Cl)[nH]c(=O)c1C ZINC000012126964 221156516 /nfs/dbraw/zinc/15/65/16/221156516.db2.gz XOJCJMUYFQISMT-UHFFFAOYSA-N 0 0 383.839 3.356 50 0 GGAARN COCc1c(C(=O)N2CCC[C@H](C)C2)cnn1-c1nccc(-c2cccs2)n1 ZINC000012126108 221156720 /nfs/dbraw/zinc/15/67/20/221156720.db2.gz DTHMIUMXZOMCKQ-AWEZNQCLSA-N 0 0 397.504 3.409 50 0 GGAARN COc1cccc(COc2c[nH]c(C(=O)Nc3ccc4c(c3)OCO4)cc2=O)c1 ZINC000012169290 221161058 /nfs/dbraw/zinc/16/10/58/221161058.db2.gz ZFTMCESAEXSVFG-UHFFFAOYSA-N 0 0 394.383 3.356 50 0 GGAARN O=C(NCCc1ccc(F)cc1)c1cc(=O)c(OCc2ccc(F)cc2)c[nH]1 ZINC000012168780 221161075 /nfs/dbraw/zinc/16/10/75/221161075.db2.gz RBUHUYOSSLUVMP-UHFFFAOYSA-N 0 0 384.382 3.205 50 0 GGAARN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000012138767 221157168 /nfs/dbraw/zinc/15/71/68/221157168.db2.gz VFJSRRXRUADZRT-CYBMUJFWSA-N 0 0 386.448 3.493 50 0 GGAARN CC[C@H]1CN(CCNC(=O)CCc2cccs2)Cc2cc(OC)ccc2O1 ZINC000012131682 221157458 /nfs/dbraw/zinc/15/74/58/221157458.db2.gz WZSABKWCLVMZMG-KRWDZBQOSA-N 0 0 388.533 3.479 50 0 GGAARN Cc1cc(OCC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)ccc1Cl ZINC000012138651 221157605 /nfs/dbraw/zinc/15/76/05/221157605.db2.gz XUSGYXQWFWHCBV-UHFFFAOYSA-N 0 0 388.851 3.138 50 0 GGAARN COCCOc1ccccc1C(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000012137783 221157638 /nfs/dbraw/zinc/15/76/38/221157638.db2.gz MCWATIVKDONRBT-UHFFFAOYSA-N 0 0 375.446 3.301 50 0 GGAARN CC(C)c1ccccc1OCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000012138891 221158011 /nfs/dbraw/zinc/15/80/11/221158011.db2.gz IMOXVHPZVUKKAQ-UHFFFAOYSA-N 0 0 382.460 3.300 50 0 GGAARN CCc1c(C(=O)NCc2ccccn2)c(=O)cc(C)n1Cc1ccccc1OC ZINC000012152604 221160267 /nfs/dbraw/zinc/16/02/67/221160267.db2.gz KDBYZOUUCKOSCX-UHFFFAOYSA-N 0 0 391.471 3.101 50 0 GGAARN 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/nfs/dbraw/zinc/13/63/83/221136383.db2.gz RMLNLTCDQKFIEF-HXUWFJFHSA-N 0 0 381.407 3.157 50 0 GGAARN Cc1ccccc1Cc1c(C(=O)NC2CC2)c(=O)cc(C)n1Cc1ccccn1 ZINC000011910369 221136483 /nfs/dbraw/zinc/13/64/83/221136483.db2.gz IUTCZROIKZTEPP-UHFFFAOYSA-N 0 0 387.483 3.391 50 0 GGAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc2ccccc2c(=O)s1 ZINC000012274413 221175066 /nfs/dbraw/zinc/17/50/66/221175066.db2.gz YGOQQBXLMDKCKV-UHFFFAOYSA-N 0 0 399.424 3.318 50 0 GGAARN Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccc(C)n2)cc1 ZINC000012297808 221175404 /nfs/dbraw/zinc/17/54/04/221175404.db2.gz PHQJWRZGBCTXFV-FQEVSTJZSA-N 0 0 389.459 3.127 50 0 GGAARN CN(C[C@H]1Cc2ccccc2O1)C(=O)c1coc(COc2ccc(F)cc2)n1 ZINC000012298430 221175416 /nfs/dbraw/zinc/17/54/16/221175416.db2.gz VUYOWFKXMUTAPJ-QGZVFWFLSA-N 0 0 382.391 3.468 50 0 GGAARN O=C(CCCNC(=O)N1CCc2c3ccccc3[nH]c2C1)NCc1ccccc1 ZINC000012296856 221175555 /nfs/dbraw/zinc/17/55/55/221175555.db2.gz XLOVYQVKTDXDFT-UHFFFAOYSA-N 0 0 390.487 3.332 50 0 biogenic GGAARN Cc1c(CC(=O)N2CCC[C@H]2CO)c2c(n1Cc1ccc(F)cc1)CCCC2=O ZINC000012297678 221175943 /nfs/dbraw/zinc/17/59/43/221175943.db2.gz FQZNAJDJXBITSI-SFHVURJKSA-N 0 0 398.478 3.029 50 0 GGAARN C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000012297034 221176331 /nfs/dbraw/zinc/17/63/31/221176331.db2.gz WTPANDWZPOIXSF-AWEZNQCLSA-N 0 0 375.428 3.391 50 0 biogenic GGAARN COc1cc(Cl)ccc1OCc1cc(C(=O)N2CCC[C@@H](OC)C2)no1 ZINC000012299572 221176373 /nfs/dbraw/zinc/17/63/73/221176373.db2.gz GSCOCNPFOCVSGD-CYBMUJFWSA-N 0 0 380.828 3.167 50 0 GGAARN COc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2cc(-c3cccn3C)n[nH]2)C1 ZINC000012299868 221176525 /nfs/dbraw/zinc/17/65/25/221176525.db2.gz SSDMMPHDKOBJGN-HNNXBMFYSA-N 0 0 392.459 3.159 50 0 GGAARN C[C@@H](Cc1cnccn1)NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12 ZINC000012303643 221177119 /nfs/dbraw/zinc/17/71/19/221177119.db2.gz LDKNESBGYWUFHB-LBPRGKRZSA-N 0 0 381.436 3.353 50 0 GGAARN Cc1nonc1CN(C)C(=O)c1cc(COc2ccc(F)cc2Cl)on1 ZINC000012301198 221177333 /nfs/dbraw/zinc/17/73/33/221177333.db2.gz QJDNYIQJCFJHQM-UHFFFAOYSA-N 0 0 380.763 3.010 50 0 GGAARN CSCC(=O)N1CCC(C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000012301897 221177539 /nfs/dbraw/zinc/17/75/39/221177539.db2.gz ZRDSNWCQCBTRPY-UHFFFAOYSA-N 0 0 386.521 3.029 50 0 GGAARN CN(CCc1cnn(C)c1)C(=O)c1csc2nc(-c3ccccc3F)cn12 ZINC000012300673 221177560 /nfs/dbraw/zinc/17/75/60/221177560.db2.gz DCFGFMIXXXJZQB-UHFFFAOYSA-N 0 0 383.452 3.250 50 0 GGAARN Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC[C@H](CCC(=O)NC2CC2)C1 ZINC000012301355 221177847 /nfs/dbraw/zinc/17/78/47/221177847.db2.gz NPFQVJHSHPJNSK-OAHLLOKOSA-N 0 0 385.483 3.455 50 0 GGAARN CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)C=Cc2c[nH]cn2)CC1 ZINC000012305412 221178128 /nfs/dbraw/zinc/17/81/28/221178128.db2.gz VPBNPLCDIYERMH-CSKARUKUSA-N 0 0 380.492 3.100 50 0 GGAARN Cc1csc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)n1 ZINC000012300187 221178134 /nfs/dbraw/zinc/17/81/34/221178134.db2.gz KQJRSHFTPQCBNS-AWEZNQCLSA-N 0 0 377.897 3.160 50 0 GGAARN CC(=O)c1ccc(OCc2cc(C(=O)N3CCOc4ccccc4C3)no2)cc1 ZINC000012300559 221178171 /nfs/dbraw/zinc/17/81/71/221178171.db2.gz TWGJPMZLCKHFNT-UHFFFAOYSA-N 0 0 392.411 3.491 50 0 GGAARN c1ccc(OCc2noc(CN3CCC[C@H](OCc4cccnc4)C3)n2)cc1 ZINC000012304268 221178293 /nfs/dbraw/zinc/17/82/93/221178293.db2.gz RKZBFIWTYNDATK-IBGZPJMESA-N 0 0 380.448 3.225 50 0 GGAARN O=C(Cn1ncc2ccccc21)N1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000012302540 221178357 /nfs/dbraw/zinc/17/83/57/221178357.db2.gz NKSKUWUERIJVMV-UHFFFAOYSA-N 0 0 375.407 3.150 50 0 GGAARN O=C(Cc1ccccn1)N1CC[C@]2(C1)CCCN(CCC1CCCCC1)C2=O ZINC000012304484 221178516 /nfs/dbraw/zinc/17/85/16/221178516.db2.gz NJFIYXFWBZMQKU-QHCPKHFHSA-N 0 0 383.536 3.436 50 0 GGAARN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000012307186 221178982 /nfs/dbraw/zinc/17/89/82/221178982.db2.gz DXOCSGFLBJDFDB-FQEVSTJZSA-N 0 0 389.883 3.400 50 0 GGAARN O=C(Cc1cn2ccsc2n1)N1CCc2onc(-c3ccccc3F)c2C1 ZINC000012306398 221179146 /nfs/dbraw/zinc/17/91/46/221179146.db2.gz 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ZINC000012306509 221180110 /nfs/dbraw/zinc/18/01/10/221180110.db2.gz IPNQCVMJTGQAHN-UHFFFAOYSA-N 0 0 387.505 3.210 50 0 GGAARN COc1ccc(OCc2cc(C(=O)N[C@@H]3CCOC(C)(C)C3)[nH]n2)c(Cl)c1 ZINC000012316558 221181046 /nfs/dbraw/zinc/18/10/46/221181046.db2.gz HIXXOLGPQILRCV-GFCCVEGCSA-N 0 0 393.871 3.338 50 0 GGAARN COc1ccc(CNC(=O)c2nc(-c3ccc4[nH]ccc4c3)no2)cc1OC ZINC000012321546 221181626 /nfs/dbraw/zinc/18/16/26/221181626.db2.gz VYITWJRHFKQNGA-UHFFFAOYSA-N 0 0 378.388 3.165 50 0 GGAARN CCn1nc(C)c(CNC(=O)c2nc(-c3ccc(OC(C)C)cc3)no2)c1C ZINC000012321700 221181778 /nfs/dbraw/zinc/18/17/78/221181778.db2.gz QFDWHILCAKWTHN-UHFFFAOYSA-N 0 0 383.452 3.287 50 0 GGAARN CS(=O)(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2nccnc2c1 ZINC000012322115 221181843 /nfs/dbraw/zinc/18/18/43/221181843.db2.gz MNWHCOQPNZENNB-GOSISDBHSA-N 0 0 386.864 3.394 50 0 GGAARN COCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)C(C)C ZINC000012323206 221181847 /nfs/dbraw/zinc/18/18/47/221181847.db2.gz OSOQSVXZVVMVJM-UHFFFAOYSA-N 0 0 378.494 3.179 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COc1ccc(Cc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)cc1 ZINC000013956794 221294247 /nfs/dbraw/zinc/29/42/47/221294247.db2.gz GZXGVEDCFOQUHZ-WMLDXEAASA-N 0 0 388.537 3.202 50 0 GGAARN C[C@@H]1CN(C(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)C[C@H](C)O1 ZINC000013958586 221294289 /nfs/dbraw/zinc/29/42/89/221294289.db2.gz DTQHYTHVMAJZSW-PHIMTYICSA-N 0 0 394.353 3.258 50 0 GGAARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(O)c1 ZINC000013956011 221294305 /nfs/dbraw/zinc/29/43/05/221294305.db2.gz PQCFRFTWQXJSOH-UHFFFAOYSA-N 0 0 384.461 3.313 50 0 GGAARN COc1cccc(N2C(=O)c3ccc(C(=O)Nc4cccc(O)c4)cc3C2=O)c1 ZINC000013957508 221294380 /nfs/dbraw/zinc/29/43/80/221294380.db2.gz JGTIEKVCVJLIGP-UHFFFAOYSA-N 0 0 388.379 3.454 50 0 GGAARN COc1ccc(CCCc2nnc(SCC(N)=O)n2-c2ccccc2)cc1C ZINC000013956504 221294576 /nfs/dbraw/zinc/29/45/76/221294576.db2.gz ASTPQCKQLCENIZ-UHFFFAOYSA-N 0 0 396.516 3.337 50 0 GGAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccn(Cc4ccccc4F)n3)c12 ZINC000013960994 221294709 /nfs/dbraw/zinc/29/47/09/221294709.db2.gz 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221301552 /nfs/dbraw/zinc/30/15/52/221301552.db2.gz RUGMIYOAFFYMSZ-UHFFFAOYSA-N 0 0 383.429 3.178 50 0 GGAARN CCOc1ccc(-c2cc(=O)n(CC(=O)N[C@@H](C)c3ccccc3)cn2)cc1 ZINC000013809374 221291022 /nfs/dbraw/zinc/29/10/22/221291022.db2.gz ZPJQDHJRCAJYNQ-INIZCTEOSA-N 0 0 377.444 3.186 50 0 GGAARN CN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)Cc1cnn(C)c1 ZINC000014191627 221303184 /nfs/dbraw/zinc/30/31/84/221303184.db2.gz IQUXEBIPCDIRLX-UHFFFAOYSA-N 0 0 375.885 3.268 50 0 GGAARN Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000014239849 221305744 /nfs/dbraw/zinc/30/57/44/221305744.db2.gz AXZOEQHKXLFTMS-UHFFFAOYSA-N 0 0 378.925 3.463 50 0 GGAARN CCn1nc(C)c(CN(C)S(=O)(=O)c2ccc(Br)s2)c1C ZINC000014229708 221305853 /nfs/dbraw/zinc/30/58/53/221305853.db2.gz GRFAPKXYBXHFKW-UHFFFAOYSA-N 0 0 392.344 3.165 50 0 GGAARN CN(C)S(=O)(=O)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000014965942 221321495 /nfs/dbraw/zinc/32/14/95/221321495.db2.gz MKVBQDHCHJQNLE-UHFFFAOYSA-N 0 0 383.473 3.173 50 0 GGAARN 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/nfs/dbraw/zinc/38/05/60/221380560.db2.gz OEUOOBKGFIPVCN-UHFFFAOYSA-N 0 0 384.440 3.419 50 0 GGAARN O=C1CCc2cc([N-]S(=O)(=O)c3ccccc3Br)ccc2N1 ZINC000017177987 221380564 /nfs/dbraw/zinc/38/05/64/221380564.db2.gz XNSDCODZBOZQHO-UHFFFAOYSA-N 0 0 381.251 3.135 50 0 GGAARN CCOc1ccccc1C(=O)Nc1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000017197649 221380683 /nfs/dbraw/zinc/38/06/83/221380683.db2.gz OFYHKCNKKLVXDW-UHFFFAOYSA-N 0 0 388.489 3.263 50 0 GGAARN O=C(Cn1c(CO)cnc1SCc1cccc(F)c1)NCc1ccccc1 ZINC000017179228 221380759 /nfs/dbraw/zinc/38/07/59/221380759.db2.gz UHDBPLHKXUJTQO-UHFFFAOYSA-N 0 0 385.464 3.123 50 0 GGAARN Cc1ccc(NC(=O)Nc2nnc(CC(=O)NCc3ccccc3)s2)cc1 ZINC000017180758 221380786 /nfs/dbraw/zinc/38/07/86/221380786.db2.gz NNLNMYJGMDLIQG-UHFFFAOYSA-N 0 0 381.461 3.349 50 0 GGAARN O=C(Cc1csc(NC(=O)NC2CCCCC2)n1)NCCc1ccccc1 ZINC000017178931 221381021 /nfs/dbraw/zinc/38/10/21/221381021.db2.gz YTUXUDBAKYWUIN-UHFFFAOYSA-N 0 0 386.521 3.499 50 0 GGAARN CCC(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccccc3F)cc21 ZINC000017247907 221382385 /nfs/dbraw/zinc/38/23/85/221382385.db2.gz FTRYWHLDQRDDSS-UHFFFAOYSA-N 0 0 376.453 3.457 50 0 GGAARN CCCCCN1CC2=C(C1=O)[C@@H](c1ccc(Br)cc1)NC(=O)N2 ZINC000017269956 221382706 /nfs/dbraw/zinc/38/27/06/221382706.db2.gz HBIFEMRZKTWENE-OAHLLOKOSA-N 0 0 378.270 3.090 50 0 GGAARN CCCN1C(=O)NC2(CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)C1=O ZINC000017271854 221382844 /nfs/dbraw/zinc/38/28/44/221382844.db2.gz ZYMAYMUHSIRACW-UHFFFAOYSA-N 0 0 391.471 3.290 50 0 GGAARN CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc21 ZINC000017316230 221383632 /nfs/dbraw/zinc/38/36/32/221383632.db2.gz RYLOJQUUCGKSBC-UHFFFAOYSA-N 0 0 380.416 3.319 50 0 GGAARN CCc1cc(=O)n(CC(=O)Nc2ccc(C)c(Cl)c2)c(-n2nc(C)cc2C)n1 ZINC000017317050 221383770 /nfs/dbraw/zinc/38/37/70/221383770.db2.gz CZYVMXRGURGDML-UHFFFAOYSA-N 0 0 399.882 3.209 50 0 GGAARN CCS(=O)(=O)N1CCCc2cc(NC(=O)c3c(F)cccc3F)ccc21 ZINC000017316402 221383961 /nfs/dbraw/zinc/38/39/61/221383961.db2.gz BOLBZNPRNSJDNE-UHFFFAOYSA-N 0 0 380.416 3.319 50 0 GGAARN COc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCCC2)cc1 ZINC000017911544 221384866 /nfs/dbraw/zinc/38/48/66/221384866.db2.gz AJKBCVBKFYYUIG-LJQANCHMSA-N 0 0 392.455 3.369 50 0 GGAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(O)cc2)N1C[C@@H]1CCCO1 ZINC000016742106 221369300 /nfs/dbraw/zinc/36/93/00/221369300.db2.gz BAFMKPNMIARTGE-KXBFYZLASA-N 0 0 377.396 3.223 50 0 GGAARN CCCOc1ccc(CN(C(=O)c2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000016741775 221369965 /nfs/dbraw/zinc/36/99/65/221369965.db2.gz JOWWEIIGFQCVHS-INIZCTEOSA-N 0 0 393.530 3.366 50 0 GGAARN CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCO)c1 ZINC000016753571 221370831 /nfs/dbraw/zinc/37/08/31/221370831.db2.gz DZLYVZHAKFBFAU-IBGZPJMESA-N 0 0 379.412 3.119 50 0 GGAARN Cn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCC(=O)NC1CCCC1 ZINC000016840968 221371967 /nfs/dbraw/zinc/37/19/67/221371967.db2.gz VXFZDMJXGWQYLJ-UHFFFAOYSA-N 0 0 382.489 3.080 50 0 GGAARN Cc1cccc(OC[C@H](O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 ZINC000016839729 221372449 /nfs/dbraw/zinc/37/24/49/221372449.db2.gz RDEBNHYDBFSGGL-GOSISDBHSA-N 0 0 377.506 3.126 50 0 GGAARN Cc1cc(C)c(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)c(C)c1 ZINC000016845423 221372469 /nfs/dbraw/zinc/37/24/69/221372469.db2.gz JDGABMGSJVFVEH-UHFFFAOYSA-N 0 0 399.520 3.346 50 0 GGAARN Cc1cccc(OC[C@@H](O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)c1 ZINC000016839727 221372510 /nfs/dbraw/zinc/37/25/10/221372510.db2.gz RDEBNHYDBFSGGL-SFHVURJKSA-N 0 0 377.506 3.126 50 0 GGAARN Cc1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc5c(c4)OCO5)no3)n2)cc1 ZINC000016844786 221372861 /nfs/dbraw/zinc/37/28/61/221372861.db2.gz AOEZJWPACBFPLG-UHFFFAOYSA-N 0 0 388.383 3.046 50 0 GGAARN O=C(Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1)NCC1CCCCC1 ZINC000016851356 221373275 /nfs/dbraw/zinc/37/32/75/221373275.db2.gz AQJIKFJUNWNHEU-UHFFFAOYSA-N 0 0 389.496 3.440 50 0 GGAARN COc1ccc(CCC(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1 ZINC000016953663 221373284 /nfs/dbraw/zinc/37/32/84/221373284.db2.gz VDTFQYQIIOBURN-UHFFFAOYSA-N 0 0 377.444 3.280 50 0 biogenic GGAARN COC(=O)c1cccc(Nc2nn3c(nc4cc(Cl)ccc4c3=O)s2)c1 ZINC000016942430 221373465 /nfs/dbraw/zinc/37/34/65/221373465.db2.gz SFGKCBOCPKETDP-UHFFFAOYSA-N 0 0 386.820 3.488 50 0 GGAARN COC(=O)c1ccccc1NC(=O)Cn1cnc2c3ccccc3sc2c1=O ZINC000016942472 221373724 /nfs/dbraw/zinc/37/37/24/221373724.db2.gz JXNJZZCGPDREIT-UHFFFAOYSA-N 0 0 393.424 3.037 50 0 GGAARN COc1ccc(C(=O)NCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 ZINC000016945262 221373772 /nfs/dbraw/zinc/37/37/72/221373772.db2.gz MERKYYGTSYRLSN-UHFFFAOYSA-N 0 0 383.835 3.002 50 0 GGAARN COc1ccccc1CNC(=O)Cc1csc(NC(=O)NC2CCCC2)n1 ZINC000016973238 221374411 /nfs/dbraw/zinc/37/44/11/221374411.db2.gz NPGRLUZVYBBZHS-UHFFFAOYSA-N 0 0 388.493 3.075 50 0 GGAARN Cc1cc(C)n(C(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)n1 ZINC000017011504 221375100 /nfs/dbraw/zinc/37/51/00/221375100.db2.gz SANNKKKNLBQGAE-UHFFFAOYSA-N 0 0 393.465 3.214 50 0 GGAARN COc1ccccc1C(=O)Nc1cc(=O)[nH]c2nc(-c3ccc(Cl)cc3)nn21 ZINC000016993742 221375255 /nfs/dbraw/zinc/37/52/55/221375255.db2.gz 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/nfs/dbraw/zinc/37/68/79/221376879.db2.gz XTGMGZIZNDZTHM-UHFFFAOYSA-N 0 0 381.501 3.293 50 0 GGAARN CCNS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2OCC)cc1 ZINC000017077618 221377279 /nfs/dbraw/zinc/37/72/79/221377279.db2.gz ARUAJJZZUINCDA-UHFFFAOYSA-N 0 0 379.507 3.192 50 0 GGAARN O=S(=O)(c1ccc(NC(=S)NCc2cccs2)cc1)N1CCCC1 ZINC000017078011 221377433 /nfs/dbraw/zinc/37/74/33/221377433.db2.gz CZWUEWYLBCKNKI-UHFFFAOYSA-N 0 0 381.548 3.019 50 0 GGAARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=S)NC1CCCCC1 ZINC000017078367 221377436 /nfs/dbraw/zinc/37/74/36/221377436.db2.gz PZZXPBLKYPOPDC-UHFFFAOYSA-N 0 0 383.539 3.164 50 0 GGAARN CCc1c(C)sc(NC(=S)NCc2cnn(CC)c2C)c1C(=O)OC ZINC000017077843 221377548 /nfs/dbraw/zinc/37/75/48/221377548.db2.gz MTXHDDOXKMOHOE-UHFFFAOYSA-N 0 0 380.539 3.417 50 0 GGAARN Cc1nn(Cc2ccc(-c3nc4c5cnnc-5ncn4[nH]3)cc2)c(C)c1Cl ZINC000017077504 221377634 /nfs/dbraw/zinc/37/76/34/221377634.db2.gz RQVRRWZOXSCAMI-UHFFFAOYSA-N 0 0 378.827 3.183 50 0 GGAARN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CCc3ccccc3)CC2)c1C ZINC000017078993 221377786 /nfs/dbraw/zinc/37/77/86/221377786.db2.gz JHHBNMPHSQJMAG-UHFFFAOYSA-N 0 0 386.561 3.469 50 0 GGAARN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000017078974 221377795 /nfs/dbraw/zinc/37/77/95/221377795.db2.gz QIOPGPVKFLTJQD-UHFFFAOYSA-N 0 0 386.517 3.067 50 0 GGAARN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000017078629 221377847 /nfs/dbraw/zinc/37/78/47/221377847.db2.gz MTDURFRDSNYWFN-UHFFFAOYSA-N 0 0 384.910 3.115 50 0 GGAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000017079009 221377921 /nfs/dbraw/zinc/37/79/21/221377921.db2.gz GSKDIYZJXBFZAL-UHFFFAOYSA-N 0 0 386.851 3.438 50 0 GGAARN CCOc1cccc(C(=O)Nn2c(=O)c3c4c(sc3[nH]c2=S)CCC4)c1 ZINC000017079129 221377960 /nfs/dbraw/zinc/37/79/60/221377960.db2.gz KOZQQDHDOUUFBW-UHFFFAOYSA-N 0 0 387.486 3.392 50 0 GGAARN COC(=O)c1c2c(sc1NC(=O)CSc1nnc(C(C)C)n1C)CCC2 ZINC000017080670 221378259 /nfs/dbraw/zinc/37/82/59/221378259.db2.gz YYCUACQMJGNLLD-UHFFFAOYSA-N 0 0 394.522 3.006 50 0 GGAARN COc1ccc(Cn2nc(C)c(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2C)cc1OC ZINC000017081280 221378449 /nfs/dbraw/zinc/37/84/49/221378449.db2.gz XGPYDDDYXAJWSJ-CALCHBBNSA-N 0 0 397.475 3.245 50 0 GGAARN COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=S)NC1CCC(C)CC1 ZINC000017081361 221378501 /nfs/dbraw/zinc/37/85/01/221378501.db2.gz LEDHYYZPQIMTLQ-UHFFFAOYSA-N 0 0 397.566 3.410 50 0 GGAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CN(C)Cc1cnn(CC)c1C ZINC000017080236 221378526 /nfs/dbraw/zinc/37/85/26/221378526.db2.gz YTYLFNHBBLWSJA-UHFFFAOYSA-N 0 0 392.525 3.137 50 0 GGAARN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000017824008 221384745 /nfs/dbraw/zinc/38/47/45/221384745.db2.gz VHVVDPINSSFJKP-CALCHBBNSA-N 0 0 378.538 3.185 50 0 GGAARN O=C(Nn1c(=O)c2cc(Cc3ccccc3)sc2[nH]c1=S)c1cccnc1 ZINC000017080618 221378645 /nfs/dbraw/zinc/37/86/45/221378645.db2.gz FNTGYIXXZWJRIN-UHFFFAOYSA-N 0 0 394.481 3.490 50 0 GGAARN Cc1cc(CN2CCC[C@H]2c2ccc(C(=O)NCCc3ccccn3)s2)[nH]n1 ZINC000019144683 221398826 /nfs/dbraw/zinc/39/88/26/221398826.db2.gz BVXDBEGJADCUAR-SFHVURJKSA-N 0 0 395.532 3.484 50 0 GGAARN CCCNC(=O)c1ccc([C@@H]2CCCN2C(=O)CSc2nnc(C)o2)s1 ZINC000019145000 221398917 /nfs/dbraw/zinc/39/89/17/221398917.db2.gz MPFABCHMGRICTD-LBPRGKRZSA-N 0 0 394.522 3.035 50 0 GGAARN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)N4CCCN4[C@]3(C)C2=O)cc1 ZINC000019169694 221398926 /nfs/dbraw/zinc/39/89/26/221398926.db2.gz HXJIDWIDNARNRH-MZKRTTBSSA-N 0 0 391.471 3.011 50 0 GGAARN C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@H](c1ccccc1)N1CCCN12 ZINC000019166844 221398929 /nfs/dbraw/zinc/39/89/29/221398929.db2.gz NBZXIGIGOGGPTK-BBTUJRGHSA-N 0 0 381.863 3.266 50 0 GGAARN COc1ccc(-n2nc(C)cc2NC(=O)Cn2cnc(Cl)c2Cl)cc1 ZINC000019146986 221399021 /nfs/dbraw/zinc/39/90/21/221399021.db2.gz OQHZTDZYMIRBIS-UHFFFAOYSA-N 0 0 380.235 3.331 50 0 GGAARN C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@H](c1ccccc1)N1CCCN12 ZINC000019168267 221399025 /nfs/dbraw/zinc/39/90/25/221399025.db2.gz 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Cc1sc2[nH]c(SCC(=O)Nc3ccc(N(C)C)cc3)nc(=O)c2c1C ZINC000018038223 221385860 /nfs/dbraw/zinc/38/58/60/221385860.db2.gz JFYGWLAYKUOZBA-UHFFFAOYSA-N 0 0 388.518 3.398 50 0 GGAARN CCCn1c(=O)c(C(=O)N=c2[nH]c3ccccc3s2)c(O)c2c1CCCC2 ZINC000018096945 221387141 /nfs/dbraw/zinc/38/71/41/221387141.db2.gz NOKXUNFQJZQPKG-UHFFFAOYSA-N 0 0 383.473 3.127 50 0 GGAARN Cc1ccn2cc(-c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)c3)nc2c1 ZINC000018090099 221387805 /nfs/dbraw/zinc/38/78/05/221387805.db2.gz FCYSZHGNKHYYTD-IYBDPMFKSA-N 0 0 385.489 3.108 50 0 GGAARN Cc1nnc(SCc2cc(=O)[nH]c(Nc3nc(C)c4ccccc4n3)n2)s1 ZINC000018181907 221388311 /nfs/dbraw/zinc/38/83/11/221388311.db2.gz SFWGXQSHSYMCOI-UHFFFAOYSA-N 0 0 397.489 3.217 50 0 GGAARN Cc1ccc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)cc1Cl ZINC000018180127 221388652 /nfs/dbraw/zinc/38/86/52/221388652.db2.gz RRASYJARLSGLGB-UHFFFAOYSA-N 0 0 386.883 3.111 50 0 GGAARN CN(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000018192827 221388706 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Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000018223138 221391245 /nfs/dbraw/zinc/39/12/45/221391245.db2.gz NFSIPJQNYDOJMP-IBGZPJMESA-N 0 0 399.498 3.419 50 0 GGAARN Cc1ccc(N(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C(=O)c2ccco2)c(C)c1 ZINC000018243855 221391303 /nfs/dbraw/zinc/39/13/03/221391303.db2.gz PVEHZEOZQGACQO-CALCHBBNSA-N 0 0 378.428 3.452 50 0 GGAARN COc1ccc(NC2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 ZINC000018271438 221391487 /nfs/dbraw/zinc/39/14/87/221391487.db2.gz BKDQDQOVKQAJRX-FQEVSTJZSA-N 0 0 397.450 3.043 50 0 GGAARN Cc1ccc([C@H]2CC(=O)c3cnc(N4CCN(c5ccccn5)CC4)nc3C2)cc1 ZINC000018223050 221391711 /nfs/dbraw/zinc/39/17/11/221391711.db2.gz UZQYWBFSKJPJHB-LJQANCHMSA-N 0 0 399.498 3.419 50 0 GGAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)N4CCCN4[C@@]3(C)C2=O)cc1 ZINC000019172318 221398554 /nfs/dbraw/zinc/39/85/54/221398554.db2.gz HXJIDWIDNARNRH-SXWKCWPCSA-N 0 0 391.471 3.011 50 0 GGAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)N4CCCN4[C@]3(C)C2=O)cc1 ZINC000019169688 221398627 /nfs/dbraw/zinc/39/86/27/221398627.db2.gz HXJIDWIDNARNRH-JTAQYXEDSA-N 0 0 391.471 3.011 50 0 GGAARN c1ccc(CCCc2noc(-c3ccc(NC[C@H]4COCCO4)nc3)n2)cc1 ZINC000019787144 221452218 /nfs/dbraw/zinc/45/22/18/221452218.db2.gz FCFGEEPSSAMWEC-SFHVURJKSA-N 0 0 380.448 3.134 50 0 GGAARN COc1ccc(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000019773936 221452598 /nfs/dbraw/zinc/45/25/98/221452598.db2.gz PLGXNNHTDRCQOT-UHFFFAOYSA-N 0 0 389.293 3.416 50 0 GGAARN O=C(Cn1cnc2sc3c(c2c1=O)CCCCC3)NC(=O)Nc1ccccc1 ZINC000019796963 221453761 /nfs/dbraw/zinc/45/37/61/221453761.db2.gz YZNXLNZWIDGOHU-UHFFFAOYSA-N 0 0 396.472 3.075 50 0 GGAARN Cc1ccccc1Cc1nnc(NC(=O)NCCn2nnc3ccccc32)s1 ZINC000019792748 221454117 /nfs/dbraw/zinc/45/41/17/221454117.db2.gz PZHMXATUJQCWFR-UHFFFAOYSA-N 0 0 393.476 3.004 50 0 GGAARN COc1ccc(CN2CCN(C(=O)c3cccs3)CC2)cc1Br ZINC000019790027 221454520 /nfs/dbraw/zinc/45/45/20/221454520.db2.gz UNNSVJMFOWRDLC-UHFFFAOYSA-N 0 0 395.322 3.477 50 0 GGAARN COc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1Br ZINC000019790262 221454548 /nfs/dbraw/zinc/45/45/48/221454548.db2.gz IGBCPLLIJILEKK-UHFFFAOYSA-N 0 0 379.254 3.009 50 0 GGAARN O=C(/C=C/c1ccccc1)N[C@H](NC[C@H]1CCCO1)C(Cl)(Cl)Cl ZINC000019800073 221455699 /nfs/dbraw/zinc/45/56/99/221455699.db2.gz PCANQLSSYSXXNR-HOMMJUPQSA-N 0 0 377.699 3.281 50 0 GGAARN CCOC(=O)c1ccc(NC(=S)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019814758 221455750 /nfs/dbraw/zinc/45/57/50/221455750.db2.gz QFRUDKCBLXMCPS-UHFFFAOYSA-N 0 0 383.517 3.378 50 0 GGAARN Cc1ccccc1CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2F)C1 ZINC000019857941 221459375 /nfs/dbraw/zinc/45/93/75/221459375.db2.gz WYOWTKYHRBJUDG-MRXNPFEDSA-N 0 0 390.480 3.315 50 0 GGAARN Cc1cccnc1CN1CCN(C(=O)c2ccc3nc(C4CC4)oc3c2)CC1 ZINC000019730947 221448247 /nfs/dbraw/zinc/44/82/47/221448247.db2.gz QASVKLQGIHQTOW-UHFFFAOYSA-N 0 0 376.460 3.367 50 0 GGAARN COc1cc(C)c(Br)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000019942929 221467017 /nfs/dbraw/zinc/46/70/17/221467017.db2.gz RICJKEIXLRSQLT-GHMZBOCLSA-N 0 0 376.316 3.433 50 0 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/nfs/dbraw/zinc/46/15/03/221461503.db2.gz UWASQDVISCGIGR-UHFFFAOYSA-N 0 0 393.241 3.112 50 0 GGAARN Nc1c(-c2nnc(SCc3ccccc3Cl)n2N)cnn1-c1ccccc1 ZINC000019897489 221461841 /nfs/dbraw/zinc/46/18/41/221461841.db2.gz FBNPEMNFXRAUBQ-UHFFFAOYSA-N 0 0 397.895 3.373 50 0 GGAARN Cc1cc(C)n(-c2ccc(NCCNC(=O)Nc3cc(C)ccc3C)nn2)n1 ZINC000019924167 221462854 /nfs/dbraw/zinc/46/28/54/221462854.db2.gz XXZCOORXIADLRL-UHFFFAOYSA-N 0 0 379.468 3.130 50 0 GGAARN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000019913536 221463064 /nfs/dbraw/zinc/46/30/64/221463064.db2.gz WOROSMRNOWZEOV-UHFFFAOYSA-N 0 0 395.503 3.301 50 0 GGAARN CC1=Nc2ccccc2N=C(NC(=O)CN2CCOCC2)[C@H]1c1ccccc1 ZINC000019938255 221465597 /nfs/dbraw/zinc/46/55/97/221465597.db2.gz MKWFBTDCPLCUIX-OAQYLSRUSA-N 0 0 376.460 3.055 50 0 GGAARN COc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(OC)cc1Br ZINC000019942852 221466235 /nfs/dbraw/zinc/46/62/35/221466235.db2.gz LFVDHYDQOVKFAV-QWRGUYRKSA-N 0 0 392.315 3.133 50 0 GGAARN CCn1c(SCC(=O)Nc2ccccc2OC)nc(=O)c2c(C)cc(C)nc21 ZINC000020214944 221478150 /nfs/dbraw/zinc/47/81/50/221478150.db2.gz DGZQFJAYSBBXKQ-UHFFFAOYSA-N 0 0 398.488 3.168 50 0 GGAARN CN(Cc1cccnc1)C(=O)c1cc(-c2cnn(C)c2)nc2ccc(F)cc21 ZINC000020472882 221492252 /nfs/dbraw/zinc/49/22/52/221492252.db2.gz JVVHDRZWKUIRRS-UHFFFAOYSA-N 0 0 375.407 3.442 50 0 GGAARN COc1ccc2[nH]c(C(=O)N3CCN(Cc4ccccc4F)C(=O)C3)c(C)c2c1 ZINC000020418703 221486114 /nfs/dbraw/zinc/48/61/14/221486114.db2.gz IBPXBTRHRMHVQD-UHFFFAOYSA-N 0 0 395.434 3.109 50 0 GGAARN O=C(CN1CCN(Cc2c(Cl)cccc2Cl)CC1)Nc1nccs1 ZINC000020428974 221487134 /nfs/dbraw/zinc/48/71/34/221487134.db2.gz MWXFCHVQOLIBPK-UHFFFAOYSA-N 0 0 385.320 3.206 50 0 GGAARN CNc1cc(C(=O)N2CCc3c(cnc(C)c3-c3noc(C(C)C)n3)C2)ccn1 ZINC000020543039 221497757 /nfs/dbraw/zinc/49/77/57/221497757.db2.gz GIFCOOPTRWGINC-UHFFFAOYSA-N 0 0 392.463 3.199 50 0 GGAARN O=C(Nc1ccn(Cc2ccc(F)cc2)n1)[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000020602222 221502291 /nfs/dbraw/zinc/50/22/91/221502291.db2.gz 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CSCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nnc2ccccn21 ZINC000020715285 221508486 /nfs/dbraw/zinc/50/84/86/221508486.db2.gz GYUDKBOIVOAXJY-AWEZNQCLSA-N 0 0 396.925 3.155 50 0 GGAARN COc1c(F)cc2c(=O)c(C(=O)NCc3ccccc3)cn(CCF)c2c1F ZINC000020722313 221508565 /nfs/dbraw/zinc/50/85/65/221508565.db2.gz BJBJNXCXWVOCGY-UHFFFAOYSA-N 0 0 390.361 3.188 50 0 GGAARN COc1ccccc1N1CC[NH+]([C@@H](C(=O)[O-])c2c(C)[nH]c3ccccc32)CC1 ZINC000020721386 221508777 /nfs/dbraw/zinc/50/87/77/221508777.db2.gz UBAYKMDNGOARMR-OAQYLSRUSA-N 0 0 379.460 3.433 50 0 GGAARN Cn1cc(C(=O)N2CCN(C(=O)CCc3ccccc3)CC2)c2ccccc21 ZINC000020730236 221509715 /nfs/dbraw/zinc/50/97/15/221509715.db2.gz QTASLELQXHMHPT-UHFFFAOYSA-N 0 0 375.472 3.096 50 0 GGAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncccn2)cc1O ZINC000020725254 221510263 /nfs/dbraw/zinc/51/02/63/221510263.db2.gz KHQLAODLACKFEF-INIZCTEOSA-N 0 0 383.433 3.109 50 0 GGAARN Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc3c(c1)OCO3)SCC(=O)N2 ZINC000020727702 221510546 /nfs/dbraw/zinc/51/05/46/221510546.db2.gz KSFBIBOLQNWIMD-INIZCTEOSA-N 0 0 381.417 3.124 50 0 GGAARN CCOC(=O)N1CCN(Cc2nc(-c3cc(OC)ccc3F)oc2C)CC1 ZINC000020997804 221522796 /nfs/dbraw/zinc/52/27/96/221522796.db2.gz BDJGQPLGQPIGFM-UHFFFAOYSA-N 0 0 377.416 3.072 50 0 GGAARN CCCCN1C(=O)[C@@H](CC(=O)NCCc2ccccc2)n2c3ccccc3nc21 ZINC000021005925 221523650 /nfs/dbraw/zinc/52/36/50/221523650.db2.gz ICRLPOWGLIULEW-HXUWFJFHSA-N 0 0 390.487 3.473 50 0 GGAARN COc1ccc2[nH]c(CN3C[C@H]4CC[C@@H]3CN(c3cnccn3)C4)c(C)c2c1 ZINC000091997665 533233396 /nfs/dbraw/zinc/23/33/96/533233396.db2.gz KVJYJKMEWOLFLO-IAGOWNOFSA-N 0 0 377.492 3.376 50 0 GGAARN COc1cccc(-c2ccc(C(=O)N3CCc4nc(C)[nH]c(=O)c4CC3)o2)c1 ZINC000426648154 533370483 /nfs/dbraw/zinc/37/04/83/533370483.db2.gz QFVIWLNUGDSWKY-UHFFFAOYSA-N 0 0 379.416 3.000 50 0 GGAARN CO[C@]12CCN(C(=O)c3c(C)[nH]c(C(C)=O)c3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426502855 533383049 /nfs/dbraw/zinc/38/30/49/533383049.db2.gz GZGDSNLDJOFWJV-KGVIQGDOSA-N 0 0 388.508 3.413 50 0 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/nfs/dbraw/zinc/47/87/46/533478746.db2.gz LYJAWPMDDFNDIN-HXUWFJFHSA-N 0 0 383.492 3.332 50 0 GGAARN COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000001158230 533480600 /nfs/dbraw/zinc/48/06/00/533480600.db2.gz WIBJGAXQZCSGHT-UHFFFAOYSA-N 0 0 384.451 3.045 50 0 biogenic GGAARN COC(=O)CNC(=O)c1cc(-c2ccco2)nc2onc(-c3ccc(C)cc3)c21 ZINC000036618524 533533792 /nfs/dbraw/zinc/53/37/92/533533792.db2.gz DXMFIDYIZGTAFC-UHFFFAOYSA-N 0 0 391.383 3.361 50 0 GGAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)NCCc2cccc(C)n2)cc1 ZINC000426414734 533549691 /nfs/dbraw/zinc/54/96/91/533549691.db2.gz SAJJBQVBPNXGHJ-NRFANRHFSA-N 0 0 383.492 3.332 50 0 GGAARN COc1cccc(OCCN2CCN(C(=O)N[C@H](C)c3ccccc3)CC2)c1 ZINC000426691187 533661793 /nfs/dbraw/zinc/66/17/93/533661793.db2.gz MACHFBMIJYNXJG-GOSISDBHSA-N 0 0 383.492 3.162 50 0 GGAARN NC(=O)C[C@@H]1CCCCN1c1ccc(-c2nc(-c3ccccc3F)no2)cn1 ZINC000039393547 132391219 /nfs/dbraw/zinc/39/12/19/132391219.db2.gz QMAWPFKJEKRSMC-AWEZNQCLSA-N 0 0 381.411 3.172 50 0 GGAARN O=C(CNC(=O)N1CCN(c2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000049546739 132438380 /nfs/dbraw/zinc/43/83/80/132438380.db2.gz OPKWVSCTLFCZLR-UHFFFAOYSA-N 0 0 388.471 3.310 50 0 GGAARN Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)nnn1-c1cccc(Cl)c1 ZINC000051317398 132439328 /nfs/dbraw/zinc/43/93/28/132439328.db2.gz LSIBQWDVJDEDKV-UHFFFAOYSA-N 0 0 399.857 3.331 50 0 GGAARN COc1cc2c(cc1OC)CN(c1nccc(-c3c(C)nn(C)c3C)n1)CC2 ZINC000055035726 132442832 /nfs/dbraw/zinc/44/28/32/132442832.db2.gz ILHPAWYMANNMRA-UHFFFAOYSA-N 0 0 379.464 3.074 50 0 GGAARN COc1ccccc1N1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000055062886 132443393 /nfs/dbraw/zinc/44/33/93/132443393.db2.gz OPIFZKWCUMFONZ-UHFFFAOYSA-N 0 0 377.847 3.248 50 0 GGAARN Cc1cc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c(C)o1 ZINC000055118824 132443808 /nfs/dbraw/zinc/44/38/08/132443808.db2.gz XSUWGCBMEZEBBT-FQEVSTJZSA-N 0 0 385.483 3.462 50 0 GGAARN CC(C)=CCN1c2ccccc2NC2(CCN(C(=O)c3cccnc3)CC2)C1=O ZINC000055211727 132444466 /nfs/dbraw/zinc/44/44/66/132444466.db2.gz CBBQUYNTVOKAJO-UHFFFAOYSA-N 0 0 390.487 3.481 50 0 GGAARN O=C(CCc1ccco1)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000064137111 136156679 /nfs/dbraw/zinc/15/66/79/136156679.db2.gz FTJIEAUOQVAKHU-SFHVURJKSA-N 0 0 385.483 3.165 50 0 GGAARN Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)c4ccco4)CC3)n2)cc1 ZINC000064799992 136157634 /nfs/dbraw/zinc/15/76/34/136157634.db2.gz FFUPRALLGURXHK-UHFFFAOYSA-N 0 0 377.448 3.392 50 0 GGAARN Cc1cccc(-c2nn3c(CN4CCN(c5ccccc5)CC4)nnc3s2)c1 ZINC000065363158 136163539 /nfs/dbraw/zinc/16/35/39/136163539.db2.gz MIMNIEOYSPXSEA-UHFFFAOYSA-N 0 0 390.516 3.483 50 0 GGAARN O=C(Nc1ccc2ccccc2c1)N1CCN(c2ccc(-n3cccn3)nn2)CC1 ZINC000065364093 136163568 /nfs/dbraw/zinc/16/35/68/136163568.db2.gz QKJXJEJAVWHHRR-UHFFFAOYSA-N 0 0 399.458 3.170 50 0 GGAARN CC(=O)N[C@@H]1C[C@H](C2CCCCC2)O[C@H](c2cccnc2N2CCOCC2)C1 ZINC000065489241 136164092 /nfs/dbraw/zinc/16/40/92/136164092.db2.gz VYFAWBOCOOWMTQ-NRSPTQNISA-N 0 0 387.524 3.223 50 0 GGAARN Cc1ccc(-n2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)nn2)cc1C ZINC000067263066 136164483 /nfs/dbraw/zinc/16/44/83/136164483.db2.gz DKZYFRXWEHCVIZ-UHFFFAOYSA-N 0 0 395.894 3.500 50 0 GGAARN CCc1ccc(-n2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)nn2)cc1 ZINC000067263267 136164517 /nfs/dbraw/zinc/16/45/17/136164517.db2.gz OMUIMEGBGHXCRH-UHFFFAOYSA-N 0 0 395.894 3.446 50 0 GGAARN Cc1ccc(-n2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)nn2)cc1C ZINC000067263041 136164530 /nfs/dbraw/zinc/16/45/30/136164530.db2.gz ZGCPMAUQHFZTCW-UHFFFAOYSA-N 0 0 389.503 3.463 50 0 GGAARN CC[C@@]12Oc3ccc(OC)cc3[C@@H](NC(=S)N1c1ccccc1)[C@@H]2C(=O)OC ZINC000067240200 136164534 /nfs/dbraw/zinc/16/45/34/136164534.db2.gz UQLPLNIGBJPVHO-OPYAIIAOSA-N 0 0 398.484 3.419 50 0 GGAARN CCc1ccc(-n2cc(C(=O)N3CCN(c4cccc(C)c4)CC3)nn2)cc1 ZINC000067263239 136164552 /nfs/dbraw/zinc/16/45/52/136164552.db2.gz QTNCDAMEHJENJQ-UHFFFAOYSA-N 0 0 375.476 3.101 50 0 GGAARN O=C(Nc1ccccc1)c1ccc(Oc2nccnc2N2CCOCC2)cc1 ZINC000067334500 136164580 /nfs/dbraw/zinc/16/45/80/136164580.db2.gz PCYQALQGXZRTST-UHFFFAOYSA-N 0 0 376.416 3.358 50 0 GGAARN CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCC4(CCO4)CC3)nc2)C1 ZINC000067691376 136164784 /nfs/dbraw/zinc/16/47/84/136164784.db2.gz SDBWOILYQNINHS-IBGZPJMESA-N 0 0 399.535 3.308 50 0 GGAARN CC[C@H]1CN(c2ccc(C(=O)NCCCc3ccc(OC)cc3)cn2)CCO1 ZINC000067691442 136164840 /nfs/dbraw/zinc/16/48/40/136164840.db2.gz TWSMDCWIGQSKEY-IBGZPJMESA-N 0 0 383.492 3.068 50 0 GGAARN O=C(Nc1ccnn1C1CCN(c2cnccn2)CC1)c1ccccc1Cl ZINC000067757669 136164926 /nfs/dbraw/zinc/16/49/26/136164926.db2.gz PRPDGZLGUQTRQK-UHFFFAOYSA-N 0 0 382.855 3.420 50 0 GGAARN Cc1ccc(C(N)=O)c(N2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)n1 ZINC000067756416 136164964 /nfs/dbraw/zinc/16/49/64/136164964.db2.gz CKPIMTUTGPRXQG-UHFFFAOYSA-N 0 0 379.439 3.402 50 0 GGAARN Cn1cc(C(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)c2ccccc21 ZINC000071282371 136165430 /nfs/dbraw/zinc/16/54/30/136165430.db2.gz RTEUVIFWLDRNPT-UHFFFAOYSA-N 0 0 383.473 3.361 50 0 GGAARN Cn1ccc2ccc(C(=O)Nc3cccc(N4CCCCS4(=O)=O)c3)cc21 ZINC000071283956 136165656 /nfs/dbraw/zinc/16/56/56/136165656.db2.gz YZNLXHMSWGHVGX-UHFFFAOYSA-N 0 0 383.473 3.361 50 0 GGAARN C[C@@H]1CCCN(c2ncc(C(=O)NCc3ccc(F)c(Cl)c3)c(N)n2)C1 ZINC000071772190 136166536 /nfs/dbraw/zinc/16/65/36/136166536.db2.gz XXZDDTRQJNWBKC-LLVKDONJSA-N 0 0 377.851 3.018 50 0 GGAARN COc1cc(C(=O)N2CCN(c3ccccc3)CC2)nc2c(F)cc(F)cc12 ZINC000071768889 136166551 /nfs/dbraw/zinc/16/65/51/136166551.db2.gz SRRDEDMSEKIUIG-UHFFFAOYSA-N 0 0 383.398 3.484 50 0 GGAARN Nc1nc(N2CC=C(c3ccccc3)CC2)ncc1S(=O)(=O)c1ccccc1 ZINC000071771828 136166569 /nfs/dbraw/zinc/16/65/69/136166569.db2.gz NYUUSNDBJBPHIL-UHFFFAOYSA-N 0 0 392.484 3.185 50 0 GGAARN Cc1ccc2cc(CN3CCO[C@H](C(F)(F)F)C3)c(N3CCOCC3)nc2c1 ZINC000071774743 136166770 /nfs/dbraw/zinc/16/67/70/136166770.db2.gz KKDNJKVCIIRROD-SFHVURJKSA-N 0 0 395.425 3.143 50 0 GGAARN COc1cc(C(=O)N2CCN(c3ccccn3)CC2)nc2c(C)cc(F)cc12 ZINC000072328800 136168195 /nfs/dbraw/zinc/16/81/95/136168195.db2.gz SQDPFNYNBZRVDV-UHFFFAOYSA-N 0 0 380.423 3.048 50 0 GGAARN Cc1ccc(N2CN=C3S[C@H](CC(=O)Nc4ccccc4)C(=O)N3C2)cc1 ZINC000072333626 136168299 /nfs/dbraw/zinc/16/82/99/136168299.db2.gz AEKQLLPKHIONCT-QGZVFWFLSA-N 0 0 380.473 3.059 50 0 GGAARN Cc1ccc(NC(=O)C[C@@H]2SC3=NCN(c4ccccc4)CN3C2=O)cc1C ZINC000072333632 136168411 /nfs/dbraw/zinc/16/84/11/136168411.db2.gz ZIPFWJQMWKJXRJ-SFHVURJKSA-N 0 0 394.500 3.367 50 0 GGAARN Cc1ccc(NC(=O)C[C@H]2SC3=NCN(c4ccc(C)cc4)CN3C2=O)cc1 ZINC000072332983 136168438 /nfs/dbraw/zinc/16/84/38/136168438.db2.gz FNFTVWJKBFTDNT-GOSISDBHSA-N 0 0 394.500 3.367 50 0 GGAARN Cc1ccc(NC(=O)C[C@H]2SC3=NCN(c4ccccc4)CN3C2=O)cc1C ZINC000072333631 136168444 /nfs/dbraw/zinc/16/84/44/136168444.db2.gz ZIPFWJQMWKJXRJ-GOSISDBHSA-N 0 0 394.500 3.367 50 0 GGAARN Cc1ccc(N2CN=C3S[C@@H](CC(=O)Nc4ccccc4)C(=O)N3C2)cc1 ZINC000072333625 136168456 /nfs/dbraw/zinc/16/84/56/136168456.db2.gz AEKQLLPKHIONCT-KRWDZBQOSA-N 0 0 380.473 3.059 50 0 GGAARN CC(=O)N1CCN(c2ccc(Oc3ncccc3NC(=O)C(C)C)cc2)CC1 ZINC000072403082 136169380 /nfs/dbraw/zinc/16/93/80/136169380.db2.gz NDOZYDXZMQHZAH-UHFFFAOYSA-N 0 0 382.464 3.137 50 0 GGAARN COc1cccc(N2CCN(C(=O)c3cc(-c4ccccc4)nn3C)CC2)c1 ZINC000072403573 136169388 /nfs/dbraw/zinc/16/93/88/136169388.db2.gz GDRGGDKILBTMGK-UHFFFAOYSA-N 0 0 376.460 3.058 50 0 GGAARN Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1CCN(c2ccccn2)CC1 ZINC000072403401 136169396 /nfs/dbraw/zinc/16/93/96/136169396.db2.gz FYPYJBFIUJCCMS-UHFFFAOYSA-N 0 0 381.867 3.098 50 0 GGAARN COCCc1noc(-c2ccc(N3CCc4c5ccccc5[nH]c4C3)nc2)n1 ZINC000072407781 136169441 /nfs/dbraw/zinc/16/94/41/136169441.db2.gz OINZYNXDLWYGSI-UHFFFAOYSA-N 0 0 375.432 3.365 50 0 GGAARN CCOc1ccccc1CN1CCN(c2ncccc2Cl)C[C@@H]1CCO ZINC000072408785 136169529 /nfs/dbraw/zinc/16/95/29/136169529.db2.gz GQIOIYUBYKORHD-KRWDZBQOSA-N 0 0 375.900 3.207 50 0 GGAARN COc1ccccc1N1CCN(C(=O)c2c[nH]nc2-c2cccs2)[C@@H](C)C1 ZINC000072421993 136169759 /nfs/dbraw/zinc/16/97/59/136169759.db2.gz NXNJKXZXGHYZDU-AWEZNQCLSA-N 0 0 382.489 3.498 50 0 GGAARN CC(=O)c1ccc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)nc1 ZINC000072425728 136170018 /nfs/dbraw/zinc/17/00/18/136170018.db2.gz QDNVBFBEACTUKK-JOCHJYFZSA-N 0 0 378.476 3.088 50 0 GGAARN CN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(N3CCCCC3)ccc1Cl)C2 ZINC000072429367 136170110 /nfs/dbraw/zinc/17/01/10/136170110.db2.gz GXLVNPSXQHYJAM-GOEBONIOSA-N 0 0 375.900 3.023 50 0 GGAARN O=C(CCCOc1ccccc1)N1CCN(c2ncnc3ccccc32)CC1 ZINC000072428302 136170126 /nfs/dbraw/zinc/17/01/26/136170126.db2.gz OQRKUKSGCOYGTR-UHFFFAOYSA-N 0 0 376.460 3.138 50 0 GGAARN Cc1ccc(Nc2ccc(N3CCN(C(=O)C4CCCCC4)CC3)nn2)nc1 ZINC000072436807 136170267 /nfs/dbraw/zinc/17/02/67/136170267.db2.gz GJKBQZCXGHLMSY-UHFFFAOYSA-N 0 0 380.496 3.153 50 0 GGAARN Cc1nc([C@H]2CCCN(c3ccc(-c4nc(CC(C)C)no4)cn3)C2)cc(=O)[nH]1 ZINC000072453658 136170760 /nfs/dbraw/zinc/17/07/60/136170760.db2.gz DLJAXQUUPBAPSU-INIZCTEOSA-N 0 0 394.479 3.106 50 0 GGAARN Cc1ncn(-c2cc(N3CCN(C(=O)CCC4CCCCC4)CC3)ncn2)c1C ZINC000072446755 136170785 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CCCC(=O)C(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@@H]1Cc1ccccc1 ZINC000077471420 136172288 /nfs/dbraw/zinc/17/22/88/136172288.db2.gz ODKADNNWZGVQLX-FQEVSTJZSA-N 0 0 378.472 3.151 50 0 GGAARN O=C1CC2(CN1Cc1ccc(Cl)cc1)CCN(c1ncnc3nc[nH]c31)CC2 ZINC000077487367 136172299 /nfs/dbraw/zinc/17/22/99/136172299.db2.gz IVLGAIBRUPCVHB-UHFFFAOYSA-N 0 0 396.882 3.025 50 0 GGAARN Cc1ccccc1N1CCN(C(=O)c2cn(C)c3ccccc3c2=O)[C@@H](C)C1 ZINC000077504231 136172304 /nfs/dbraw/zinc/17/23/04/136172304.db2.gz GBBKZVQTULEOQA-KRWDZBQOSA-N 0 0 375.472 3.198 50 0 GGAARN CC(C)Cc1nc2cc(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)ccc2[nH]1 ZINC000079492796 136173217 /nfs/dbraw/zinc/17/32/17/136173217.db2.gz RPKKWMPZUMHQEN-OAHLLOKOSA-N 0 0 378.480 3.407 50 0 GGAARN Cc1cc(-c2n[nH]c3c2CN(c2cc(-n4cccn4)nc(C)n2)CC3)c(C)o1 ZINC000082039348 136173268 /nfs/dbraw/zinc/17/32/68/136173268.db2.gz DMLNOKDSQZZQPM-UHFFFAOYSA-N 0 0 375.436 3.133 50 0 GGAARN CCCC[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)Cn1ccnc1C ZINC000082087598 136173336 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C[C@@H](NS(=O)(=O)c1ccc(I)cc1)c1ccccc1 ZINC000033624327 221794240 /nfs/dbraw/zinc/79/42/40/221794240.db2.gz UNTXEBMWJBAFCR-LLVKDONJSA-N 0 0 387.242 3.331 50 0 GGAARN CCOC(=O)c1c2c(sc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1)C[C@H](C)CC2 ZINC000033711317 221795323 /nfs/dbraw/zinc/79/53/23/221795323.db2.gz MWWKQCJEPUCPQL-MGPQQGTHSA-N 0 0 394.537 3.097 50 0 GGAARN COc1cccc(OCC(=O)Nc2nnc(Cc3ccc(SC)cc3)o2)c1 ZINC000035588365 221830422 /nfs/dbraw/zinc/83/04/22/221830422.db2.gz NHYHKWPYBRBKFA-UHFFFAOYSA-N 0 0 385.445 3.408 50 0 GGAARN COc1ccc(OCc2nnc3sc(-c4ccc(OC)c(OC)c4)nn23)cc1 ZINC000035655369 221831376 /nfs/dbraw/zinc/83/13/76/221831376.db2.gz VNQGTBIQYUZSBO-UHFFFAOYSA-N 0 0 398.444 3.458 50 0 GGAARN O=C(c1ccc(Br)cc1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 ZINC000036070953 221841836 /nfs/dbraw/zinc/84/18/36/221841836.db2.gz BPELAOLUURYDRK-KRWDZBQOSA-N 0 0 385.261 3.031 50 0 GGAARN O=C(NCCOc1ccc(F)cc1)C1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000038489458 221880966 /nfs/dbraw/zinc/88/09/66/221880966.db2.gz 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O=C(c1n[nH]nc1Nc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000067284310 222144292 /nfs/dbraw/zinc/14/42/92/222144292.db2.gz KMWOYCGCUXHHFE-UHFFFAOYSA-N 0 0 382.855 3.164 50 0 GGAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1ccccn1)N1CCOCC1 ZINC000067288433 222144299 /nfs/dbraw/zinc/14/42/99/222144299.db2.gz CVSDUHMZUZHZCC-UHFFFAOYSA-N 0 0 382.851 3.368 50 0 GGAARN COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2c(C)cccc2C)c1C ZINC000067323588 222144726 /nfs/dbraw/zinc/14/47/26/222144726.db2.gz DHYJUYFPLNKQLC-UHFFFAOYSA-N 0 0 393.447 3.103 50 0 GGAARN CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(C)cc2)c1C ZINC000067323541 222144753 /nfs/dbraw/zinc/14/47/53/222144753.db2.gz MPBXYNKACCNZNI-UHFFFAOYSA-N 0 0 377.448 3.348 50 0 GGAARN Cc1c(C(=O)Nc2ccc(C)c(F)c2)nnn1CC(=O)Nc1ccc(C)cc1 ZINC000067323526 222144941 /nfs/dbraw/zinc/14/49/41/222144941.db2.gz RFYPTDJIMUPTPW-UHFFFAOYSA-N 0 0 381.411 3.233 50 0 GGAARN Cc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1CC(=O)Nc1ccc(C)cc1 ZINC000067323570 222145277 /nfs/dbraw/zinc/14/52/77/222145277.db2.gz 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COCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCC2 ZINC000071279832 222178656 /nfs/dbraw/zinc/17/86/56/222178656.db2.gz RHYODWCVLLKCQN-LJQANCHMSA-N 0 0 382.460 3.095 50 0 GGAARN CC(C)c1nnc(NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)s1 ZINC000071279585 222178659 /nfs/dbraw/zinc/17/86/59/222178659.db2.gz LKHDXOPBJXWKSH-UHFFFAOYSA-N 0 0 389.868 3.177 50 0 GGAARN CCSc1nnc(NC(=O)CN(C)c2nc3c(cccc3OC)s2)s1 ZINC000070973393 222178689 /nfs/dbraw/zinc/17/86/89/222178689.db2.gz QNHQKMRDJXUGOI-UHFFFAOYSA-N 0 0 395.535 3.343 50 0 GGAARN O=C(NC[C@](O)(c1ccccc1)C1CC1)C(=O)Nc1ccccc1C(F)(F)F ZINC000070969023 222178697 /nfs/dbraw/zinc/17/86/97/222178697.db2.gz CLIQZPXVCNLFBO-IBGZPJMESA-N 0 0 392.377 3.058 50 0 GGAARN COc1ccc2c(c1)CCN(C(=O)CN(C)c1nc3c(cccc3F)s1)C2 ZINC000070973477 222178963 /nfs/dbraw/zinc/17/89/63/222178963.db2.gz AHSPSRYMHRAASV-UHFFFAOYSA-N 0 0 385.464 3.465 50 0 GGAARN CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3ccccc3Cl)ccc2=O)c1 ZINC000071279614 222178966 /nfs/dbraw/zinc/17/89/66/222178966.db2.gz 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/nfs/dbraw/zinc/34/46/27/222344627.db2.gz VCYJRJSBYRUPEZ-IBGZPJMESA-N 0 0 389.503 3.412 50 0 GGAARN CN(C)Cc1nc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)cs1 ZINC000082120215 222310136 /nfs/dbraw/zinc/31/01/36/222310136.db2.gz XFSSQRZUGFUGAX-CQSZACIVSA-N 0 0 377.485 3.275 50 0 GGAARN CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccc(Cn2cccn2)o1 ZINC000082155762 222310467 /nfs/dbraw/zinc/31/04/67/222310467.db2.gz BMLLOWLYTRYXOV-UHFFFAOYSA-N 0 0 379.395 3.121 50 0 GGAARN CC(=O)N1CCCn2nc(CNc3cc(C)nc(-c4ccccc4)n3)cc2C1 ZINC000082127189 222310778 /nfs/dbraw/zinc/31/07/78/222310778.db2.gz UHMKXLKHBVXGOF-UHFFFAOYSA-N 0 0 376.464 3.013 50 0 GGAARN CCc1ncc(C(=O)N2CCC[C@H](c3nccn3Cc3ccccc3)C2)cn1 ZINC000082120931 222310830 /nfs/dbraw/zinc/31/08/30/222310830.db2.gz SZECVJCXMDVZSG-SFHVURJKSA-N 0 0 375.476 3.304 50 0 GGAARN Cn1cnnc1CC1CCN(C(=O)[C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000082127569 222311184 /nfs/dbraw/zinc/31/11/84/222311184.db2.gz LHMSVPYIFABLAR-GOSISDBHSA-N 0 0 377.492 3.198 50 0 GGAARN 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O=C(NCCCSC1CCCCC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000095527383 222350500 /nfs/dbraw/zinc/35/05/00/222350500.db2.gz FTTSXUQKYDRORO-MRXNPFEDSA-N 0 0 375.538 3.002 50 0 GGAARN C[C@H](C(=O)N1CCC(c2nccn2C)CC1)N1c2cccc3cccc(c23)C1=O ZINC000095528214 222350574 /nfs/dbraw/zinc/35/05/74/222350574.db2.gz ZHZDHRUUEQBXQU-OAHLLOKOSA-N 0 0 388.471 3.328 50 0 GGAARN O=C1CC2(CN1Cc1ccccc1)CCN(Cc1nc(C(F)(F)F)no1)CC2 ZINC000095527852 222350720 /nfs/dbraw/zinc/35/07/20/222350720.db2.gz DYDMCSDSPBFQRR-UHFFFAOYSA-N 0 0 394.397 3.103 50 0 GGAARN CN(C)c1ccc(C(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)cn1 ZINC000095527309 222350817 /nfs/dbraw/zinc/35/08/17/222350817.db2.gz FPNYNRPFTYAGKR-QFIPXVFZSA-N 0 0 381.476 3.361 50 0 GGAARN COc1cccc2c1OC[C@@H](CNC(=O)CCn1c(C)nc3ccccc31)C2 ZINC000095527212 222350881 /nfs/dbraw/zinc/35/08/81/222350881.db2.gz HSAVEHBIXMPWMF-MRXNPFEDSA-N 0 0 379.460 3.111 50 0 GGAARN CCCCn1ccnc1C1CCN(C(=O)[C@H]2CCCCN2C(=O)OC)CC1 ZINC000095528097 222350995 /nfs/dbraw/zinc/35/09/95/222350995.db2.gz 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Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)cc1O ZINC000095531115 222353270 /nfs/dbraw/zinc/35/32/70/222353270.db2.gz HDJBRKNMTNHJPZ-MRXNPFEDSA-N 0 0 382.489 3.422 50 0 GGAARN Cc1ccccc1[C@@H](C(=O)NCc1ccc(C(=O)N2CCCC2)cc1)N(C)C ZINC000095530999 222353277 /nfs/dbraw/zinc/35/32/77/222353277.db2.gz BDFJBSYAJRFJMX-NRFANRHFSA-N 0 0 379.504 3.150 50 0 GGAARN CC(C)CCN1C[C@]2(CCCN(C(=O)CN(C)c3ccccc3)C2)CCC1=O ZINC000095530530 222353425 /nfs/dbraw/zinc/35/34/25/222353425.db2.gz FKBQSSGWYKSAEC-HSZRJFAPSA-N 0 0 385.552 3.400 50 0 GGAARN CCc1ocnc1C(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095529599 222353474 /nfs/dbraw/zinc/35/34/74/222353474.db2.gz OSJLWYDMNCXZES-JSNMRZPZSA-N 0 0 387.430 3.218 50 0 GGAARN Cn1cnnc1CN1CCC[C@H]1C(=O)Nc1cccc(-c2ccc(F)cc2)c1 ZINC000095529509 222353558 /nfs/dbraw/zinc/35/35/58/222353558.db2.gz GKJSHFDTYBTUBT-IBGZPJMESA-N 0 0 379.439 3.224 50 0 GGAARN CNC(=O)CN(C)C(=O)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1 ZINC000095531585 222354503 /nfs/dbraw/zinc/35/45/03/222354503.db2.gz GCPGAEBIAIIGGY-UHFFFAOYSA-N 0 0 391.349 3.332 50 0 GGAARN COc1cc(CN2CCN(Cc3ccccc3Cl)CC2)cc(OC)c1O ZINC000095536302 222354940 /nfs/dbraw/zinc/35/49/40/222354940.db2.gz QTJSHIFCOYFGBY-UHFFFAOYSA-N 0 0 376.884 3.381 50 0 GGAARN Cc1noc(CN2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)n1 ZINC000095531564 222355432 /nfs/dbraw/zinc/35/54/32/222355432.db2.gz CPSDNQNBTOUDKV-HNNXBMFYSA-N 0 0 388.899 3.091 50 0 GGAARN Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(c1ccc3ccccc3n1)C2 ZINC000095531679 222355586 /nfs/dbraw/zinc/35/55/86/222355586.db2.gz FTQIWKAKXJYALP-ZWKOTPCHSA-N 0 0 376.460 3.467 50 0 GGAARN CC(C)(C)OC(=O)N1C[C@@H]2C(c3ccc(F)cc3)=NO[C@]2(N2CCCC2)C1 ZINC000095635052 222359745 /nfs/dbraw/zinc/35/97/45/222359745.db2.gz VBCGEVBVHXADNX-OXQOHEQNSA-N 0 0 375.444 3.219 50 0 GGAARN C[C@H](CSC(F)(F)F)NS(=O)(=O)c1ccc(Br)cc1 ZINC000095918469 222360344 /nfs/dbraw/zinc/36/03/44/222360344.db2.gz UZLPWLAJFVRGRP-SSDOTTSWSA-N 0 0 378.235 3.369 50 0 GGAARN O=C(Cc1c(=O)[nH]n2c1[nH]c(-c1cccc(Cl)c1)cc2=O)c1ccccc1F ZINC000095831057 222360587 /nfs/dbraw/zinc/36/05/87/222360587.db2.gz OTYYYLHQCMBBQL-UHFFFAOYSA-N 0 0 397.793 3.201 50 0 GGAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC(c2nc(-c3ccco3)no2)C1 ZINC000096024322 222372291 /nfs/dbraw/zinc/37/22/91/222372291.db2.gz ICTQJJOKJGZDMF-UHFFFAOYSA-N 0 0 399.350 3.137 50 0 GGAARN Cc1ccc(C=CS(=O)(=O)N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000096025604 222372554 /nfs/dbraw/zinc/37/25/54/222372554.db2.gz SOMIEAHNNMTXFV-BGVYSJOJSA-N 0 0 383.469 3.405 50 0 GGAARN Cc1nn(C)c(C)c1S(=O)(=O)N(CCc1cccs1)Cc1ccoc1 ZINC000096026078 222372856 /nfs/dbraw/zinc/37/28/56/222372856.db2.gz DPMFOQSDIKZZIR-UHFFFAOYSA-N 0 0 379.507 3.125 50 0 GGAARN O=C(N1CC[C@]2(C1)CC(=O)c1ccccc1O2)C1(c2ccccc2)CCOCC1 ZINC000096025581 222373171 /nfs/dbraw/zinc/37/31/71/222373171.db2.gz KIHPJAMFJKCZQE-HSZRJFAPSA-N 0 0 391.467 3.371 50 0 GGAARN CC(C)(C)OC(=O)n1cnc2c1CCNC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000096032098 222373361 /nfs/dbraw/zinc/37/33/61/222373361.db2.gz XIEJEVKHXHQGOK-UHFFFAOYSA-N 0 0 392.500 3.038 50 0 GGAARN O=C(c1cc(-c2ccccc2)on1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000096025362 222373468 /nfs/dbraw/zinc/37/34/68/222373468.db2.gz FEBAPAWRFUARJH-QGZVFWFLSA-N 0 0 382.441 3.030 50 0 GGAARN O=c1c2ccccc2c(CNS(=O)(=O)c2cccs2)nn1C1CCCC1 ZINC000096096322 222378170 /nfs/dbraw/zinc/37/81/70/222378170.db2.gz XEUPXVJGYXCEKP-UHFFFAOYSA-N 0 0 389.502 3.052 50 0 GGAARN O=C(Cc1c(F)cccc1Cl)N1CCC(S(=O)(=O)Cc2ccco2)CC1 ZINC000096099526 222379539 /nfs/dbraw/zinc/37/95/39/222379539.db2.gz JVUNRFSRLPFJGI-UHFFFAOYSA-N 0 0 399.871 3.221 50 0 GGAARN O=S(=O)(NCCn1ccc(-c2cccs2)n1)c1ccc(F)c(Cl)c1 ZINC000096103872 222379853 /nfs/dbraw/zinc/37/98/53/222379853.db2.gz AYLGIUPKWJWATD-UHFFFAOYSA-N 0 0 385.873 3.383 50 0 GGAARN COc1ccc(S(=O)(=O)Nc2c(C)nc(N3CCCC3)nc2C)c(C)c1C ZINC000096098621 222379907 /nfs/dbraw/zinc/37/99/07/222379907.db2.gz NSCFSDKIMBGRRB-UHFFFAOYSA-N 0 0 390.509 3.120 50 0 GGAARN O=S(=O)(NCCn1nc(C(F)(F)F)cc1C1CC1)c1ccc(Cl)s1 ZINC000096103773 222380135 /nfs/dbraw/zinc/38/01/35/222380135.db2.gz FSQAXZIOBJVYEO-UHFFFAOYSA-N 0 0 399.847 3.473 50 0 GGAARN O=S(=O)(NCc1nn(C2CCCC2)c2c1CCCC2)c1ccccc1F ZINC000096099245 222380175 /nfs/dbraw/zinc/38/01/75/222380175.db2.gz CJZBZWNCUUZFCN-UHFFFAOYSA-N 0 0 377.485 3.495 50 0 GGAARN COc1ccc(S(=O)(=O)NCC[C@@H](O)c2cc3ccccc3o2)cc1Cl ZINC000096097298 222380252 /nfs/dbraw/zinc/38/02/52/222380252.db2.gz GRKZSKOQEWUFGF-OAHLLOKOSA-N 0 0 395.864 3.497 50 0 GGAARN COCCNC(=O)Cc1ccc(NC(=O)c2cc(Br)cs2)cc1 ZINC000096103601 222380296 /nfs/dbraw/zinc/38/02/96/222380296.db2.gz HFHJVXOWIXGUHU-UHFFFAOYSA-N 0 0 397.294 3.068 50 0 GGAARN CO[C@@H](CNS(=O)(=O)c1ccc(Br)s1)c1ccsc1 ZINC000096103340 222380337 /nfs/dbraw/zinc/38/03/37/222380337.db2.gz XWFNAJHCVCMBSK-VIFPVBQESA-N 0 0 382.326 3.238 50 0 GGAARN CSc1ccc([C@@H](O)CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)cc1 ZINC000096103158 222380425 /nfs/dbraw/zinc/38/04/25/222380425.db2.gz CTQNVJRZCOUWOI-IBGZPJMESA-N 0 0 385.464 3.412 50 0 GGAARN O=C(c1ccc(Br)o1)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000096098313 222380500 /nfs/dbraw/zinc/38/05/00/222380500.db2.gz ZZYVVNURPVUFCE-GFCCVEGCSA-N 0 0 398.278 3.121 50 0 GGAARN Cc1nc2ccc(C(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)cc2s1 ZINC000096104348 222380858 /nfs/dbraw/zinc/38/08/58/222380858.db2.gz YWTSFDGVJYAAPH-UHFFFAOYSA-N 0 0 378.519 3.177 50 0 GGAARN O=C(CCCc1ccccc1)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 ZINC000096113788 222380964 /nfs/dbraw/zinc/38/09/64/222380964.db2.gz KKOABFIVVJFXSA-IBGZPJMESA-N 0 0 377.444 3.205 50 0 biogenic GGAARN CSc1ccccc1C(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096104410 222381298 /nfs/dbraw/zinc/38/12/98/222381298.db2.gz RALGYDKGPJILEZ-UHFFFAOYSA-N 0 0 381.906 3.360 50 0 GGAARN CO[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1C ZINC000096105161 222381464 /nfs/dbraw/zinc/38/14/64/222381464.db2.gz ABHJCWNPSAACJE-INIZCTEOSA-N 0 0 396.365 3.336 50 0 GGAARN O=C(CCCc1c[nH]c2ccccc12)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000096114233 222381559 /nfs/dbraw/zinc/38/15/59/222381559.db2.gz UBSXHZRNVAOAFK-AEFFLSMTSA-N 0 0 375.472 3.298 50 0 biogenic GGAARN O=C(NCCn1ccnc1-c1ncccn1)NC(c1ccccc1)c1ccccc1 ZINC000096103939 222381813 /nfs/dbraw/zinc/38/18/13/222381813.db2.gz XAXRHUVIAWVSPH-UHFFFAOYSA-N 0 0 398.470 3.429 50 0 GGAARN CO[C@H](CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1C ZINC000096105158 222382041 /nfs/dbraw/zinc/38/20/41/222382041.db2.gz CKISDQNECHXRFX-MRXNPFEDSA-N 0 0 380.366 3.456 50 0 GGAARN Cc1nc2ccc(C(=O)N3CC(S(=O)(=O)c4ccc(F)cc4)C3)cc2s1 ZINC000096104279 222382084 /nfs/dbraw/zinc/38/20/84/222382084.db2.gz QTVYVJWWNZHETP-UHFFFAOYSA-N 0 0 390.461 3.042 50 0 GGAARN CCCCOc1ccc(NC(=O)NCCn2ccnc2-c2ncccn2)cc1 ZINC000096103937 222382275 /nfs/dbraw/zinc/38/22/75/222382275.db2.gz NHJBPRIXTAWVNV-UHFFFAOYSA-N 0 0 380.452 3.341 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](OC)c1ccc(C)s1 ZINC000096104861 222382346 /nfs/dbraw/zinc/38/23/46/222382346.db2.gz LUUFPEAEUPIXTN-AWEZNQCLSA-N 0 0 382.869 3.161 50 0 GGAARN O=c1[nH]n(C2CCOCC2)c2c1[C@H](c1cc(F)c(F)c(F)c1)SCC(=O)N2 ZINC000096116896 222382789 /nfs/dbraw/zinc/38/27/89/222382789.db2.gz WNYBQBSLLJKZPQ-HNNXBMFYSA-N 0 0 399.394 3.132 50 0 GGAARN Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)c2cccc3ccccc32)o1 ZINC000096116893 222382843 /nfs/dbraw/zinc/38/28/43/222382843.db2.gz DQXNGWNRESECTJ-LJQANCHMSA-N 0 0 393.439 3.188 50 0 GGAARN CSCC[C@H](NC(=O)CCc1ccc2c(c1)CCO2)c1nnc2ccccn21 ZINC000096117178 222382960 /nfs/dbraw/zinc/38/29/60/222382960.db2.gz YHNDODVWQZSLCE-KRWDZBQOSA-N 0 0 396.516 3.207 50 0 GGAARN Cn1nccc1[C@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000096115095 222383190 /nfs/dbraw/zinc/38/31/90/222383190.db2.gz AVANTEYYBLFFBU-CYBMUJFWSA-N 0 0 388.379 3.340 50 0 biogenic GGAARN COc1ccc2c(C)c(CCC(=O)NCCc3ccc(O)cc3)c(=O)oc2c1C ZINC000096115642 222383254 /nfs/dbraw/zinc/38/32/54/222383254.db2.gz AMXXQDKKNUIHGZ-UHFFFAOYSA-N 0 0 395.455 3.416 50 0 biogenic GGAARN COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1cccc(Cl)c1)C=C2 ZINC000096116130 222383264 /nfs/dbraw/zinc/38/32/64/222383264.db2.gz IRPBBIQUQNEJLR-UHFFFAOYSA-N 0 0 386.835 3.351 50 0 biogenic GGAARN COc1ccc2[nH]cc(CCNC(=O)CCc3ccc(OC)c(OC)c3)c2c1 ZINC000096115459 222383278 /nfs/dbraw/zinc/38/32/78/222383278.db2.gz AYDUXKUTAADADN-UHFFFAOYSA-N 0 0 382.460 3.485 50 0 biogenic GGAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)NC(C)C)COC2=O ZINC000096116097 222383290 /nfs/dbraw/zinc/38/32/90/222383290.db2.gz PDKCOHOYWDBCIT-NTUHNPAUSA-N 0 0 375.465 3.476 50 0 biogenic GGAARN COc1cccc2cc(C(=O)N3CCC(Oc4cccc(C)n4)CC3)c(=O)oc21 ZINC000096119537 222383536 /nfs/dbraw/zinc/38/35/36/222383536.db2.gz KGXKHVJZBJYLMV-UHFFFAOYSA-N 0 0 394.427 3.189 50 0 GGAARN CO[C@@](C)(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1F ZINC000096123640 222383606 /nfs/dbraw/zinc/38/36/06/222383606.db2.gz ZXJCLHIEBIATTM-SFHVURJKSA-N 0 0 398.356 3.461 50 0 GGAARN COc1ccc(CNC(=O)Nc2ccc(N3CC[C@@H](OC)C3)cc2)cc1OC ZINC000096122352 222383634 /nfs/dbraw/zinc/38/36/34/222383634.db2.gz JZWBVUVCXZKDIO-GOSISDBHSA-N 0 0 385.464 3.251 50 0 GGAARN C[C@@H](Oc1ccccc1)C(=O)NCCn1nc(-c2ccncc2)c2c1CCCC2 ZINC000096121451 222383768 /nfs/dbraw/zinc/38/37/68/222383768.db2.gz WYRPTPHQUMYZSM-QGZVFWFLSA-N 0 0 390.487 3.408 50 0 GGAARN O=C(COc1ccc(Cl)cc1)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000096121818 222383873 /nfs/dbraw/zinc/38/38/73/222383873.db2.gz XQKFHVDDXDFIJR-UHFFFAOYSA-N 0 0 393.892 3.184 50 0 GGAARN COC1(CNC(=O)C(=O)Nc2ccccc2Cl)C2CC3CC(C2)CC1C3 ZINC000096123917 222383995 /nfs/dbraw/zinc/38/39/95/222383995.db2.gz NCZNNEUULQFYDM-UHFFFAOYSA-N 0 0 376.884 3.236 50 0 GGAARN Cc1noc(C)c1S(=O)(=O)NCCn1nc(-c2cccs2)cc1C1CC1 ZINC000096121618 222384020 /nfs/dbraw/zinc/38/40/20/222384020.db2.gz RYEYTHHNCMKOLZ-UHFFFAOYSA-N 0 0 392.506 3.072 50 0 GGAARN CCOc1ccc(S(=O)(=O)Nc2ccc(N3CC[C@H](OC)C3)cc2)cc1F ZINC000096122373 222384088 /nfs/dbraw/zinc/38/40/88/222384088.db2.gz FCXDYRBMXRSZEC-INIZCTEOSA-N 0 0 394.468 3.250 50 0 GGAARN COC(=O)Nc1ccc(S(=O)(=O)N(CCc2cccs2)C2CC2)cc1 ZINC000096120314 222384121 /nfs/dbraw/zinc/38/41/21/222384121.db2.gz DFCCYYMHPUCMHQ-UHFFFAOYSA-N 0 0 380.491 3.322 50 0 GGAARN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCO[C@H](c2ccccc2)C1 ZINC000096120172 222384131 /nfs/dbraw/zinc/38/41/31/222384131.db2.gz RYQOIMAAVAZLQE-HNNXBMFYSA-N 0 0 387.379 3.347 50 0 GGAARN COc1nn(C)cc1C(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119752 222384146 /nfs/dbraw/zinc/38/41/46/222384146.db2.gz JIUAHQVQIOHEFZ-UHFFFAOYSA-N 0 0 395.444 3.383 50 0 GGAARN COc1ccc(CNC(=O)NC[C@@](C)(OC)c2ccccc2F)cc1OC ZINC000096123671 222384356 /nfs/dbraw/zinc/38/43/56/222384356.db2.gz GNPOAGMKFJHIPE-HXUWFJFHSA-N 0 0 376.428 3.204 50 0 GGAARN COc1ccc2cc(C(=O)NCC3CCN(C(=O)NC(C)(C)C)CC3)[nH]c2c1 ZINC000096120318 222384480 /nfs/dbraw/zinc/38/44/80/222384480.db2.gz MQNONTOUPCAJIX-UHFFFAOYSA-N 0 0 386.496 3.126 50 0 GGAARN CCOc1ccc(S(=O)(=O)Nc2ccc(N3CC[C@@H](OC)C3)cc2)cc1F ZINC000096122374 222384527 /nfs/dbraw/zinc/38/45/27/222384527.db2.gz FCXDYRBMXRSZEC-MRXNPFEDSA-N 0 0 394.468 3.250 50 0 GGAARN FC(F)(F)Cn1nc(C2CC2)nc1CCCc1nc(-c2cccnc2)no1 ZINC000096136291 222385477 /nfs/dbraw/zinc/38/54/77/222385477.db2.gz SIHOJZKNMGELCX-UHFFFAOYSA-N 0 0 378.358 3.338 50 0 GGAARN NC(=O)Cn1ccnc1C1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000096132950 222385686 /nfs/dbraw/zinc/38/56/86/222385686.db2.gz WAWCPCZLGXEOQV-UHFFFAOYSA-N 0 0 375.885 3.016 50 0 GGAARN O=C1CCCCN1Cc1nc([C@H]2CCOC2)nn1-c1ccc(F)c(Cl)c1 ZINC000096137934 222385964 /nfs/dbraw/zinc/38/59/64/222385964.db2.gz NZZNFHJTUJPCMH-LBPRGKRZSA-N 0 0 378.835 3.076 50 0 GGAARN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)Nc1cc(F)c(C(F)(F)F)c(F)c1 ZINC000096137252 222385970 /nfs/dbraw/zinc/38/59/70/222385970.db2.gz KDCBQJMZWIPXOY-QMMMGPOBSA-N 0 0 377.313 3.116 50 0 GGAARN COCCOc1ccccc1NC(=O)N1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000096135666 222386224 /nfs/dbraw/zinc/38/62/24/222386224.db2.gz OYFZXGNXUGCSKD-INIZCTEOSA-N 0 0 383.448 3.234 50 0 GGAARN COc1ccc(NC(=O)NC2(c3cccc(C)c3)CC2)cc1NS(C)(=O)=O ZINC000096136745 222386636 /nfs/dbraw/zinc/38/66/36/222386636.db2.gz ASONKRHXJDFDBY-UHFFFAOYSA-N 0 0 389.477 3.186 50 0 GGAARN CCc1nc(-c2cccc(NC(=O)N(CCOC)Cc3ccncc3)c2)n[nH]1 ZINC000096133270 222386804 /nfs/dbraw/zinc/38/68/04/222386804.db2.gz KPXXPMOEFXGMGR-UHFFFAOYSA-N 0 0 380.452 3.110 50 0 GGAARN CCOc1ccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)NC3=O)cc1C(F)(F)F ZINC000096136315 222386812 /nfs/dbraw/zinc/38/68/12/222386812.db2.gz AWAJRSYDXKKRBL-YPMHNXCESA-N 0 0 385.386 3.237 50 0 GGAARN CC(C)(C)n1nc(C2CCOCC2)nc1CN1C[C@H](c2ccccc2)CC1=O ZINC000096139479 222387901 /nfs/dbraw/zinc/38/79/01/222387901.db2.gz UORRYMZJHFVQET-GOSISDBHSA-N 0 0 382.508 3.443 50 0 GGAARN COc1ccc(-n2cnnc2)cc1NC(=O)N(C)[C@H](C)Cc1cc(C)ccn1 ZINC000096142284 222387983 /nfs/dbraw/zinc/38/79/83/222387983.db2.gz YSJYBAVFDXFWDA-OAHLLOKOSA-N 0 0 380.452 3.074 50 0 GGAARN CCNC(=O)c1cccc(NC(=O)N[C@@H](CC)c2cn3cccnc3n2)c1C ZINC000096139312 222388191 /nfs/dbraw/zinc/38/81/91/222388191.db2.gz GOIMWUASEVKCLK-HNNXBMFYSA-N 0 0 380.452 3.060 50 0 GGAARN COCCN(Cc1nccs1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000096141712 222388297 /nfs/dbraw/zinc/38/82/97/222388297.db2.gz IMPDFXHIOUJQHT-UHFFFAOYSA-N 0 0 383.857 3.264 50 0 GGAARN COc1ccc(NC(=O)N(CC2CCC2)C[C@@H]2CCCO2)cc1NC(C)=O ZINC000096139583 222388358 /nfs/dbraw/zinc/38/83/58/222388358.db2.gz ACTIJOUEKJQVCA-KRWDZBQOSA-N 0 0 375.469 3.467 50 0 GGAARN COc1cc2c(cc1CNC(=O)Nc1cc(C)nn1[C@H](C)C1CC1)OCCO2 ZINC000096141204 222388577 /nfs/dbraw/zinc/38/85/77/222388577.db2.gz QJCDUUBJMKCKNM-CYBMUJFWSA-N 0 0 386.452 3.264 50 0 GGAARN NS(=O)(=O)c1ccc(NC(=O)N(Cc2ccsc2)C2CCCC2)cc1 ZINC000096149906 222389430 /nfs/dbraw/zinc/38/94/30/222389430.db2.gz MAEYLSYWZNZEED-UHFFFAOYSA-N 0 0 379.507 3.372 50 0 GGAARN CCn1nnc(-c2cccc(NC(=O)NCCCc3nc(C)c(C)s3)c2)n1 ZINC000096148731 222389631 /nfs/dbraw/zinc/38/96/31/222389631.db2.gz IKTOAVZWPFAGDF-UHFFFAOYSA-N 0 0 385.497 3.188 50 0 GGAARN CCNC(=O)c1ccc(NC(=O)NCc2nc(C3CCCCC3)no2)c(C)c1 ZINC000096149099 222389637 /nfs/dbraw/zinc/38/96/37/222389637.db2.gz TXXMOFPGQDLJOG-UHFFFAOYSA-N 0 0 385.468 3.497 50 0 GGAARN CC[C@@H](NC(=O)Nc1c(-c2ccccc2OC)c(C)nn1C)c1ccnn1C ZINC000096149066 222389858 /nfs/dbraw/zinc/38/98/58/222389858.db2.gz PLZXPSNTUOQITF-OAHLLOKOSA-N 0 0 382.468 3.410 50 0 GGAARN Cc1c(-c2ccccc2)nn(C)c1NC(=O)N[C@H](CC(C)C)c1ncnn1C ZINC000096148787 222390137 /nfs/dbraw/zinc/39/01/37/222390137.db2.gz SCLFNOYYZWILJT-MRXNPFEDSA-N 0 0 381.484 3.433 50 0 GGAARN NC(=O)c1ccc(NC(=O)N2CCC(OCc3cccnc3)CC2)cc1Cl ZINC000096153979 222390831 /nfs/dbraw/zinc/39/08/31/222390831.db2.gz SNJXANOMGSXSTL-UHFFFAOYSA-N 0 0 388.855 3.047 50 0 GGAARN O=C(Nc1cccc(/C=C/c2ccccn2)c1)N1C[C@H]2CCC[C@@H](C1)NC2=O ZINC000096150071 222391061 /nfs/dbraw/zinc/39/10/61/222391061.db2.gz LVNSKBBKHGDSKI-IPNAJESVSA-N 0 0 376.460 3.384 50 0 GGAARN O=C(Nc1cc(F)cc2c1NC(=O)CC2)N1CCN(Cc2cccs2)CC1 ZINC000096151917 222391143 /nfs/dbraw/zinc/39/11/43/222391143.db2.gz IDDRKWYAPRAUGP-UHFFFAOYSA-N 0 0 388.468 3.122 50 0 GGAARN COc1ccc(NC(=O)N2CCN(Cc3ccc(C)cc3)C(=O)[C@H]2C)c(F)c1 ZINC000096150562 222391314 /nfs/dbraw/zinc/39/13/14/222391314.db2.gz BQJUAHAYHNFHTH-OAHLLOKOSA-N 0 0 385.439 3.408 50 0 GGAARN CCSc1nc2ccc(NC(=O)NC(C)(C)c3nnc(N)s3)cc2o1 ZINC000096150750 222391331 /nfs/dbraw/zinc/39/13/31/222391331.db2.gz OWWCOONPDXEGJW-UHFFFAOYSA-N 0 0 378.483 3.430 50 0 GGAARN CCn1c2cc(C)c(NC(=O)N3CCOC4(CCCC4)C3)cc2n(CC)c1=O ZINC000096151551 222391479 /nfs/dbraw/zinc/39/14/79/222391479.db2.gz XREZNFHCTJSFDJ-UHFFFAOYSA-N 0 0 386.496 3.328 50 0 GGAARN COc1ccccc1Cc1nc([C@@H]2CCC(=O)NC2)n(-c2ccc(C)cc2)n1 ZINC000096152791 222391500 /nfs/dbraw/zinc/39/15/00/222391500.db2.gz DTNJIBGDKARWJS-QGZVFWFLSA-N 0 0 376.460 3.169 50 0 GGAARN COc1ccc(NC(=O)N(CC2CCC2)C[C@H]2CCCO2)cc1C(=O)N(C)C ZINC000096161989 222392672 /nfs/dbraw/zinc/39/26/72/222392672.db2.gz RWYVSDCHZVBFFT-QGZVFWFLSA-N 0 0 389.496 3.210 50 0 GGAARN CC(C)COc1ccc(NC(=O)NCCc2nnc(-c3cccnc3)[nH]2)cc1 ZINC000096160240 222393040 /nfs/dbraw/zinc/39/30/40/222393040.db2.gz JLNJLMBPPYZZTP-UHFFFAOYSA-N 0 0 380.452 3.266 50 0 GGAARN Cn1nc(C(C)(C)C)cc1NC(=O)N[C@H](CCn1cncn1)c1ccccc1 ZINC000096162053 222393218 /nfs/dbraw/zinc/39/32/18/222393218.db2.gz XTYMBVUZWZHVOD-MRXNPFEDSA-N 0 0 381.484 3.262 50 0 GGAARN Cc1nc2sccc2c(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C(=O)[O-])C2)n1 ZINC000096161686 222393398 /nfs/dbraw/zinc/39/33/98/222393398.db2.gz BQMAEWSDBRIJNK-KKSFZXQISA-N 0 0 394.500 3.023 50 0 GGAARN CCc1ccc(-n2cnnc2)cc1NC(=O)N(C)Cc1[nH]nc2c1CCCC2 ZINC000096163369 222393552 /nfs/dbraw/zinc/39/35/52/222393552.db2.gz GLGXQPBGGKGMRN-UHFFFAOYSA-N 0 0 379.468 3.096 50 0 GGAARN NC(=O)c1ccc(-c2nc(CC[C@H]3CCCO3)n(Cc3ccccc3)n2)cc1 ZINC000096162035 222393694 /nfs/dbraw/zinc/39/36/94/222393694.db2.gz UWCBSRYVXHTQIV-LJQANCHMSA-N 0 0 376.460 3.204 50 0 GGAARN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)c2ccc(N3CCCC3)c(Cl)c2)on1 ZINC000096159846 222393735 /nfs/dbraw/zinc/39/37/35/222393735.db2.gz UXCJJVFCBRQDBD-QAPCUYQASA-N 0 0 389.883 3.224 50 0 GGAARN NC(=O)c1ccc(-c2nc(CC[C@@H]3CCCO3)n(Cc3ccccc3)n2)cc1 ZINC000096162034 222393743 /nfs/dbraw/zinc/39/37/43/222393743.db2.gz UWCBSRYVXHTQIV-IBGZPJMESA-N 0 0 376.460 3.204 50 0 GGAARN CS(=O)(=O)c1ccc(C2(c3nc([C@H]4CCOC4)no3)CCCCC2)cc1 ZINC000096162153 222393848 /nfs/dbraw/zinc/39/38/48/222393848.db2.gz YBDJBEWXCYFSAU-AWEZNQCLSA-N 0 0 376.478 3.227 50 0 GGAARN CCn1ccnc1CN(C)C(=O)Nc1ccc(Cl)c(C(=O)NC(C)C)c1 ZINC000096162279 222393888 /nfs/dbraw/zinc/39/38/88/222393888.db2.gz DYTPNWJRFGFNCG-UHFFFAOYSA-N 0 0 377.876 3.359 50 0 GGAARN CCCN(Cc1cccnc1)C(=O)Nc1ccc2c(c1)C(=O)N(C1CC1)C2=O ZINC000096163007 222393918 /nfs/dbraw/zinc/39/39/18/222393918.db2.gz MGQRZAJLJBZMKX-UHFFFAOYSA-N 0 0 378.432 3.284 50 0 GGAARN CCCOCCN1CCN(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000096160617 222393977 /nfs/dbraw/zinc/39/39/77/222393977.db2.gz LJNDLYICZQPFQY-UHFFFAOYSA-N 0 0 377.382 3.421 50 0 GGAARN COC(=O)c1ccc(OC)c(NC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c1 ZINC000096160282 222394057 /nfs/dbraw/zinc/39/40/57/222394057.db2.gz PFDFLBZEQAXTRF-LBPRGKRZSA-N 0 0 388.420 3.382 50 0 GGAARN COc1ccc(-c2nnc(C)o2)cc1NC(=O)N[C@H](C)c1nc(C2CC2)no1 ZINC000096164174 222394647 /nfs/dbraw/zinc/39/46/47/222394647.db2.gz IYJFSAOCUJGHIH-SECBINFHSA-N 0 0 384.396 3.197 50 0 GGAARN CC(C)(C)c1ccc(CNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000096171129 222394677 /nfs/dbraw/zinc/39/46/77/222394677.db2.gz YBSLYDJENPXUIO-UHFFFAOYSA-N 0 0 380.897 3.215 50 0 GGAARN COC(=O)c1cc(NC(=O)N2CCC[C@H](Cn3ccnc3)C2)ccc1Cl ZINC000096164429 222394857 /nfs/dbraw/zinc/39/48/57/222394857.db2.gz GZWNGPNWMXHWCU-CYBMUJFWSA-N 0 0 376.844 3.267 50 0 GGAARN CCc1nn(C)c(NC(=O)N(CCCn2ccnc2)Cc2cccnc2)c1C ZINC000096179538 222394902 /nfs/dbraw/zinc/39/49/02/222394902.db2.gz GFJDXXXXYMYKJC-UHFFFAOYSA-N 0 0 381.484 3.007 50 0 GGAARN COCCN(Cc1c(C)nn(C)c1C)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000096164827 222394988 /nfs/dbraw/zinc/39/49/88/222394988.db2.gz WTDJWVFFKFOJBO-UHFFFAOYSA-N 0 0 382.468 3.108 50 0 GGAARN O=C1C[C@@H](c2nc(Cc3cccs3)nn2-c2ccc(F)c(Cl)c2)CN1 ZINC000096166217 222395016 /nfs/dbraw/zinc/39/50/16/222395016.db2.gz HOEJVWSJQSGKDU-SNVBAGLBSA-N 0 0 376.844 3.316 50 0 GGAARN COc1cc2c(cc1CNC(=O)Nc1cc3nc[nH]c3c(C)c1C)OCCO2 ZINC000096164350 222395143 /nfs/dbraw/zinc/39/51/43/222395143.db2.gz KBDDADZSTGZHIY-UHFFFAOYSA-N 0 0 382.420 3.281 50 0 GGAARN CNC(=O)c1cc(NC(=O)N(C)CCCOc2cccc(C)c2)ccc1OC ZINC000096163486 222395581 /nfs/dbraw/zinc/39/55/81/222395581.db2.gz XVIZMBIRRPKHBX-UHFFFAOYSA-N 0 0 385.464 3.296 50 0 GGAARN Cc1cc(C)n(Cc2ccc(NC(=O)NCCc3noc(C4CC4)n3)cc2)n1 ZINC000096164423 222395923 /nfs/dbraw/zinc/39/59/23/222395923.db2.gz KBZHLWYUUNFKBU-UHFFFAOYSA-N 0 0 380.452 3.173 50 0 GGAARN CCN(Cc1noc(C2CCC2)n1)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000096179811 222395955 /nfs/dbraw/zinc/39/59/55/222395955.db2.gz FXSVBOTVGDNJIQ-UHFFFAOYSA-N 0 0 381.440 3.031 50 0 GGAARN CCCc1ncncc1C(=O)N1CCc2[nH]c(-c3cccc(OC)c3)nc2C1 ZINC000096180924 222396830 /nfs/dbraw/zinc/39/68/30/222396830.db2.gz DAKJKIZPSYLDFP-UHFFFAOYSA-N 0 0 377.448 3.026 50 0 GGAARN CC(C)c1nccn1CCCNC(=O)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000096180788 222397032 /nfs/dbraw/zinc/39/70/32/222397032.db2.gz FAAOMHRISKNNGI-UHFFFAOYSA-N 0 0 387.875 3.452 50 0 GGAARN COc1cccc2c(O)c(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cnc12 ZINC000096223217 222398198 /nfs/dbraw/zinc/39/81/98/222398198.db2.gz BNQCXHDDUQAEKK-KRWDZBQOSA-N 0 0 388.427 3.390 50 0 GGAARN Cc1cc(=O)oc2c1ccc1c2[C@H](c2cc3ccccc3n(C)c2=O)CC(=O)O1 ZINC000096221109 222398915 /nfs/dbraw/zinc/39/89/15/222398915.db2.gz LWMSEXMUGRZBAQ-HNNXBMFYSA-N 0 0 387.391 3.394 50 0 biogenic GGAARN CCCC[C@@H](CC)CNC(=O)CN1C=Cc2cc(OC)c(OC)cc2CC1=O ZINC000096222020 222399093 /nfs/dbraw/zinc/39/90/93/222399093.db2.gz XMICOCXFXCBSEG-MRXNPFEDSA-N 0 0 388.508 3.392 50 0 biogenic GGAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000096223256 222399399 /nfs/dbraw/zinc/39/93/99/222399399.db2.gz AAOGXJBKXNQKSP-KRWDZBQOSA-N 0 0 391.427 3.315 50 0 GGAARN COc1ccccc1CCN1C[C@H](C(=O)Nc2cccc3[nH]ccc32)CC1=O ZINC000096232040 222401822 /nfs/dbraw/zinc/40/18/22/222401822.db2.gz HXUBZYFLPADBPN-MRXNPFEDSA-N 0 0 377.444 3.206 50 0 GGAARN Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)[nH]n1 ZINC000096231509 222401904 /nfs/dbraw/zinc/40/19/04/222401904.db2.gz KKDFAIJNGHMZBC-IBGZPJMESA-N 0 0 391.479 3.430 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000096366017 222415052 /nfs/dbraw/zinc/41/50/52/222415052.db2.gz ZRKQQIZEFAVKJG-OAHLLOKOSA-N 0 0 394.880 3.429 50 0 GGAARN O=C(c1ccc2ccccc2n1)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000096372282 222415538 /nfs/dbraw/zinc/41/55/38/222415538.db2.gz AFLLYJUWWIAENF-UHFFFAOYSA-N 0 0 380.469 3.313 50 0 GGAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000096376289 222416454 /nfs/dbraw/zinc/41/64/54/222416454.db2.gz AQSCPIVNFAWEBG-UHFFFAOYSA-N 0 0 393.892 3.427 50 0 GGAARN O=S(=O)(NCc1cccc(Oc2ccccn2)c1)c1ccc2c(c1)OCCO2 ZINC000096382786 222416661 /nfs/dbraw/zinc/41/66/61/222416661.db2.gz QZQBMSRUMLPYOH-UHFFFAOYSA-N 0 0 398.440 3.124 50 0 GGAARN O=C1[C@H]2CC[C@H](CN(Cc3ccc4ccccc4n3)C2)N1Cc1cscn1 ZINC000095521399 222345728 /nfs/dbraw/zinc/34/57/28/222345728.db2.gz NYPBMLZXLYGVGW-QFBILLFUSA-N 0 0 378.501 3.314 50 0 GGAARN COc1cccc(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)c1 ZINC000095519213 222345854 /nfs/dbraw/zinc/34/58/54/222345854.db2.gz PLTFRCXOCPNHAX-UHFFFAOYSA-N 0 0 376.460 3.355 50 0 GGAARN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cc[nH]n3)cc2)c1 ZINC000095519843 222345915 /nfs/dbraw/zinc/34/59/15/222345915.db2.gz GWUDXTRCKUQIFP-FQEVSTJZSA-N 0 0 390.443 3.329 50 0 GGAARN O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 ZINC000095521963 222346020 /nfs/dbraw/zinc/34/60/20/222346020.db2.gz YGFSDVZMJMHBDV-GOSISDBHSA-N 0 0 390.443 3.075 50 0 GGAARN COc1ccccc1OC1CN(C(=O)Nc2ccc(C(=O)N(C)C)cc2C)C1 ZINC000097099518 222437556 /nfs/dbraw/zinc/43/75/56/222437556.db2.gz SQFWKGVFDKZBBE-UHFFFAOYSA-N 0 0 383.448 3.001 50 0 GGAARN C[C@H](NC(=O)c1nccnc1C(=O)N1CCCCC1)c1ccc2[nH]ccc2c1 ZINC000097117144 222438439 /nfs/dbraw/zinc/43/84/39/222438439.db2.gz PQJJYTRAZMKMGT-AWEZNQCLSA-N 0 0 377.448 3.075 50 0 GGAARN Cc1nn(C(C)C)c(C)c1NC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000097531596 222444585 /nfs/dbraw/zinc/44/45/85/222444585.db2.gz VNVZHXZKHAFGET-INIZCTEOSA-N 0 0 383.452 3.200 50 0 GGAARN O=C(NCCCSC1CCCCC1)[C@@H]1CC(=O)N(c2ccc(O)cc2)C1 ZINC000097522525 222445498 /nfs/dbraw/zinc/44/54/98/222445498.db2.gz SFTAUEXLRXIMQA-OAHLLOKOSA-N 0 0 376.522 3.317 50 0 GGAARN O=C(Nc1ccnn1C[C@H]1CC=CCC1)N1CCOc2ccc(CO)cc2C1 ZINC000097717050 222447987 /nfs/dbraw/zinc/44/79/87/222447987.db2.gz HZGAJCGLUFKHRF-INIZCTEOSA-N 0 0 382.464 3.158 50 0 GGAARN O=C(Nc1ccc(OCc2ccccn2)cc1)N1CCC(n2cnnc2)CC1 ZINC000097729480 222448811 /nfs/dbraw/zinc/44/88/11/222448811.db2.gz AUUFLLKVIFEFCG-UHFFFAOYSA-N 0 0 378.436 3.121 50 0 GGAARN Cc1ccc(-c2cccc(NC(=O)NCCS(=O)(=O)N3CCCC3)c2)cc1 ZINC000097797228 222450034 /nfs/dbraw/zinc/45/00/34/222450034.db2.gz RFYAOAWQXWNTPY-UHFFFAOYSA-N 0 0 387.505 3.209 50 0 GGAARN Cc1ccccc1CNC(=O)c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 ZINC000097943949 222450144 /nfs/dbraw/zinc/45/01/44/222450144.db2.gz JHTOGKWABABKKO-GOSISDBHSA-N 0 0 382.851 3.441 50 0 GGAARN O=C(c1ccc2c(c1)ncn2CCO)N(Cc1ccccn1)C1CCCCC1 ZINC000097785440 222450732 /nfs/dbraw/zinc/45/07/32/222450732.db2.gz DNLFXZSYAABIQD-UHFFFAOYSA-N 0 0 378.476 3.399 50 0 GGAARN O=C(c1ccc(F)c(F)c1)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000098211798 222454662 /nfs/dbraw/zinc/45/46/62/222454662.db2.gz IOPJMIGCTDDYJD-UHFFFAOYSA-N 0 0 386.377 3.456 50 0 GGAARN CC(C)c1ccc(N2C(=O)C[C@@H](Sc3nnnn3-c3ccccc3)C2=O)cc1 ZINC000100116305 222457120 /nfs/dbraw/zinc/45/71/20/222457120.db2.gz GZERNRNHMZKGRY-QGZVFWFLSA-N 0 0 393.472 3.210 50 0 GGAARN COC(=O)c1cc(=O)n(Cc2ccco2)/c(=N/c2ccc(F)c(Cl)c2)s1 ZINC000100163630 222457536 /nfs/dbraw/zinc/45/75/36/222457536.db2.gz WXULBGZSAOVFFI-JZJYNLBNSA-N 0 0 394.811 3.363 50 0 GGAARN COCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1cccc(C)c1 ZINC000100873047 222463686 /nfs/dbraw/zinc/46/36/86/222463686.db2.gz DZEZVHCHCUSVCU-XDOYNYLZSA-N 0 0 383.473 3.357 50 0 GGAARN COc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000100834915 222463757 /nfs/dbraw/zinc/46/37/57/222463757.db2.gz ZYAPRFLDFJAUAN-MRXNPFEDSA-N 0 0 394.431 3.369 50 0 GGAARN CCOCCn1c2ccc(NC(C)=O)cc2sc1=NC(=O)Cc1ccccc1 ZINC000100873683 222464290 /nfs/dbraw/zinc/46/42/90/222464290.db2.gz XBDWQYUBUORNQF-LNVKXUELSA-N 0 0 397.500 3.368 50 0 GGAARN COc1ccc(C(=O)/N=c2\sc3cc(OC)c(OC)cc3n2C)cc1OC ZINC000101035640 222466069 /nfs/dbraw/zinc/46/60/69/222466069.db2.gz DGIDOFRCUDAPRY-VXPUYCOJSA-N 0 0 388.445 3.015 50 0 GGAARN COc1ccc(-c2cs/c(=N/c3cc(OC)ccc3OC)n2CCO)cc1 ZINC000101125178 222468053 /nfs/dbraw/zinc/46/80/53/222468053.db2.gz GCUNEQJNIZLCFR-QZQOTICOSA-N 0 0 386.473 3.467 50 0 GGAARN Cc1c(Cl)cccc1N1C(=O)C[C@@H](Nc2ccc(N3CCOCC3)cc2)C1=O ZINC000101128956 222468313 /nfs/dbraw/zinc/46/83/13/222468313.db2.gz UDCNTCRCGVWTDF-GOSISDBHSA-N 0 0 399.878 3.229 50 0 GGAARN CCN1CCN(CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccccc2)CC1 ZINC000101388524 222472065 /nfs/dbraw/zinc/47/20/65/222472065.db2.gz CINHXJUEXCFUDW-UHFFFAOYSA-N 0 0 391.471 3.036 50 0 GGAARN COc1ccc(NC(=O)CN2c3ccccc3C(=O)N[C@H](C(C)C)C2=O)cc1 ZINC000101413317 222472407 /nfs/dbraw/zinc/47/24/07/222472407.db2.gz LDDWIXCUEMHZTR-LJQANCHMSA-N 0 0 381.432 3.010 50 0 GGAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c(F)c1)[C@@H](c1ccccc1)N1CCCN21 ZINC000102688894 222484112 /nfs/dbraw/zinc/48/41/12/222484112.db2.gz JOAKZCKRQZSRNR-RCCFBDPRSA-N 0 0 385.826 3.015 50 0 GGAARN CCCCN1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(OC)cc3)[C@H]2C1=O ZINC000102861296 222487061 /nfs/dbraw/zinc/48/70/61/222487061.db2.gz MCWCAMJBHIZKEU-VAMGGRTRSA-N 0 0 380.444 3.342 50 0 GGAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccc(F)cc1)N1CCCN21 ZINC000138540203 222528577 /nfs/dbraw/zinc/52/85/77/222528577.db2.gz SSMKHCWBEYMLFR-RCCFBDPRSA-N 0 0 385.826 3.015 50 0 GGAARN COc1ccc(-c2cc(N3CC[C@H](NC(=O)c4cccc(F)c4)C3)n[nH]2)cc1 ZINC000169753976 222539720 /nfs/dbraw/zinc/53/97/20/222539720.db2.gz FHKYQKMNUKNTTJ-KRWDZBQOSA-N 0 0 380.423 3.233 50 0 GGAARN O=C(COc1ccccc1)N[C@H]1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000169753608 222539839 /nfs/dbraw/zinc/53/98/39/222539839.db2.gz PKYQLTQQPQOFDL-SFHVURJKSA-N 0 0 394.450 3.380 50 0 GGAARN COc1cc(OC)cc(C(=O)N[C@@H]2CCN(c3cc(-c4cccs4)[nH]n3)C2)c1 ZINC000169754185 222539993 /nfs/dbraw/zinc/53/99/93/222539993.db2.gz GPWSPFQBSXJUOE-CQSZACIVSA-N 0 0 398.488 3.164 50 0 GGAARN COc1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)cn1 ZINC000169754033 222540240 /nfs/dbraw/zinc/54/02/40/222540240.db2.gz MCAMYEWZTRPJJF-MRXNPFEDSA-N 0 0 397.866 3.142 50 0 GGAARN COc1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc4c(c2)OCO4)OC3)cc1 ZINC000169759827 222541093 /nfs/dbraw/zinc/54/10/93/222541093.db2.gz UAILRCXUQAQQIZ-HXUWFJFHSA-N 0 0 393.399 3.144 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccc(F)cc5)no4)c3CO2)cc1 ZINC000169758345 222541203 /nfs/dbraw/zinc/54/12/03/222541203.db2.gz IRZAKCUGTRYVDE-KRWDZBQOSA-N 0 0 393.378 3.414 50 0 GGAARN O=C(NC1CCCCCC1)c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2 ZINC000169759739 222541444 /nfs/dbraw/zinc/54/14/44/222541444.db2.gz YQSGVOPHAIACCS-HXUWFJFHSA-N 0 0 383.448 3.336 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(-c4noc(-c5cccs5)n4)c3CO2)cc1 ZINC000169769088 222543586 /nfs/dbraw/zinc/54/35/86/222543586.db2.gz ZELRUCBNHAPZCS-CQSZACIVSA-N 0 0 381.417 3.337 50 0 GGAARN O=C(Nc1ccc(I)cc1)c1cc(-c2ccc[nH]2)[nH]n1 ZINC000169773393 222545168 /nfs/dbraw/zinc/54/51/68/222545168.db2.gz QUTHILUCVIVWKK-UHFFFAOYSA-N 0 0 378.173 3.262 50 0 GGAARN CCc1noc(-c2cn(C3CCN(C(=O)c4cccc(Cl)c4)CC3)nn2)n1 ZINC000169777355 222545237 /nfs/dbraw/zinc/54/52/37/222545237.db2.gz ISNOKWVOLSQBRD-UHFFFAOYSA-N 0 0 386.843 3.021 50 0 GGAARN O=C(Cc1ccccc1Cl)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 ZINC000169779737 222546233 /nfs/dbraw/zinc/54/62/33/222546233.db2.gz UOKSQNBVJHFOMY-UHFFFAOYSA-N 0 0 396.878 3.163 50 0 GGAARN Cc1ccc(-c2ccc3nnc(CNC(=O)c4ccc(N(C)C)cc4)n3n2)cc1 ZINC000169778456 222546264 /nfs/dbraw/zinc/54/62/64/222546264.db2.gz XJDHXTXFMYIYBQ-UHFFFAOYSA-N 0 0 386.459 3.096 50 0 GGAARN O=C(C1CCCC1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 ZINC000169777567 222546278 /nfs/dbraw/zinc/54/62/78/222546278.db2.gz KGRMAAVAEKGEEF-UHFFFAOYSA-N 0 0 392.463 3.349 50 0 GGAARN COc1ccc(C(=O)NCc2nnc3ccc(-c4ccc(C)cc4)nn32)cc1F ZINC000169778425 222546425 /nfs/dbraw/zinc/54/64/25/222546425.db2.gz LSFZZJJVABYYQS-UHFFFAOYSA-N 0 0 391.406 3.177 50 0 GGAARN Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3-c3ccc(C)cc3)CC2)cc1 ZINC000169779796 222546486 /nfs/dbraw/zinc/54/64/86/222546486.db2.gz NHZDFOBLDWXQCJ-UHFFFAOYSA-N 0 0 376.460 3.197 50 0 GGAARN COc1ccc(-c2ccc3nnc(CNC(=O)c4cccc(Cl)c4)n3n2)cc1 ZINC000169781428 222547859 /nfs/dbraw/zinc/54/78/59/222547859.db2.gz VHXSYCJKRQJCAS-UHFFFAOYSA-N 0 0 393.834 3.383 50 0 GGAARN CC(C)c1noc(-c2cccn3c(CNC(=O)CCc4ccccc4)nnc23)n1 ZINC000169781010 222548319 /nfs/dbraw/zinc/54/83/19/222548319.db2.gz HJRPQMPJPLTHQA-UHFFFAOYSA-N 0 0 390.447 3.152 50 0 GGAARN CC(=O)c1cccc(S(=O)(=O)NCc2ccc([C@H](O)c3ccco3)s2)c1 ZINC000206685847 222568233 /nfs/dbraw/zinc/56/82/33/222568233.db2.gz CUIMWYOTXWLGGN-GOSISDBHSA-N 0 0 391.470 3.104 50 0 GGAARN 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COc1ccc(-c2cc(-c3nnc4sc(-c5ccccn5)nn43)[nH]n2)cc1 ZINC000019827671 570223177 /nfs/dbraw/zinc/22/31/77/570223177.db2.gz XNMJOKASZLWTQS-UHFFFAOYSA-N 0 0 375.417 3.314 50 0 GGAARN CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)CNC(=O)[C@H](CC)Oc1ccccc1 ZINC000006048862 570223988 /nfs/dbraw/zinc/22/39/88/570223988.db2.gz RMUCSSBKPCCFHD-JRGCBEDISA-N 0 0 398.503 3.323 50 0 GGAARN CCN(CC)c1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000019848826 570225141 /nfs/dbraw/zinc/22/51/41/570225141.db2.gz YYBNXBKTNINIBZ-UHFFFAOYSA-N 0 0 398.536 3.196 50 0 GGAARN CCOc1ccccc1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000019842818 570225299 /nfs/dbraw/zinc/22/52/99/570225299.db2.gz MGZCYTPHAYDYIT-UHFFFAOYSA-N 0 0 394.924 3.245 50 0 GGAARN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019842873 570225368 /nfs/dbraw/zinc/22/53/68/570225368.db2.gz BOULBCLXKBABCG-UHFFFAOYSA-N 0 0 397.519 3.211 50 0 GGAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1 ZINC000019857090 570226072 /nfs/dbraw/zinc/22/60/72/570226072.db2.gz YOERGFRMMUHSRB-IBGZPJMESA-N 0 0 386.517 3.484 50 0 GGAARN Cc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000019857088 570226086 /nfs/dbraw/zinc/22/60/86/570226086.db2.gz KJYSSDKGJVOWCW-IBGZPJMESA-N 0 0 386.517 3.484 50 0 GGAARN O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000019857515 570226094 /nfs/dbraw/zinc/22/60/94/570226094.db2.gz TXJGHYGDQZXUCG-OAHLLOKOSA-N 0 0 394.443 3.145 50 0 GGAARN Cc1cccc(NC(=O)c2c3c(sc2NC(=O)CN2CCOCC2)CCC3)c1 ZINC000019871524 570226757 /nfs/dbraw/zinc/22/67/57/570226757.db2.gz UVWZGRZIWLKXKN-UHFFFAOYSA-N 0 0 399.516 3.068 50 0 GGAARN CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(C)c(C)c3)CC2)cc1 ZINC000019879888 570227063 /nfs/dbraw/zinc/22/70/63/570227063.db2.gz FOXWLWYGXYMRQO-QFIPXVFZSA-N 0 0 396.531 3.458 50 0 GGAARN CCOC(=O)c1c2c(sc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1)C[C@@H](C)CC2 ZINC000019884689 570227378 /nfs/dbraw/zinc/22/73/78/570227378.db2.gz MWWKQCJEPUCPQL-IHRRRGAJSA-N 0 0 394.537 3.097 50 0 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/nfs/dbraw/zinc/24/00/36/570240036.db2.gz GFQZUPWXSUXTRK-ZDUSSCGKSA-N 0 0 383.452 3.169 50 0 GGAARN CS(=O)(=O)N1C[C@@H](C(=O)Nc2cccc3ccccc32)Oc2ccccc21 ZINC000020108961 570240294 /nfs/dbraw/zinc/24/02/94/570240294.db2.gz OCJNVXQVBYAFMB-IBGZPJMESA-N 0 0 382.441 3.006 50 0 GGAARN C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)C1 ZINC000097288834 570240516 /nfs/dbraw/zinc/24/05/16/570240516.db2.gz LWMDOUVWHXUGCC-CYBMUJFWSA-N 0 0 378.904 3.132 50 0 GGAARN CNc1ncccc1C(=O)N(CCc1ccc(OC)cc1)Cc1ccccn1 ZINC000097301415 570240862 /nfs/dbraw/zinc/24/08/62/570240862.db2.gz BJOYPZASXGVVMB-UHFFFAOYSA-N 0 0 376.460 3.412 50 0 GGAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)no2)cc1 ZINC000020137477 570241870 /nfs/dbraw/zinc/24/18/70/570241870.db2.gz OYXFSSDFBWPZJQ-UHFFFAOYSA-N 0 0 377.444 3.308 50 0 GGAARN O=C(NC[C@H]1CCN(c2ccccc2)C1)Nc1ccc(CN2CCCC2=O)cc1 ZINC000121172926 570242044 /nfs/dbraw/zinc/24/20/44/570242044.db2.gz YWDOLAFYUFNOGP-LJQANCHMSA-N 0 0 392.503 3.457 50 0 GGAARN COc1ccc2c(c1)c(C(=O)CN1CCN(C)CC1)c(C)n2Cc1ccccc1 ZINC000020133113 570242129 /nfs/dbraw/zinc/24/21/29/570242129.db2.gz HHJIXCRWKJUMQX-UHFFFAOYSA-N 0 0 391.515 3.437 50 0 GGAARN CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(CCO)CC2)c(C(C)C)c1 ZINC000020149975 570244138 /nfs/dbraw/zinc/24/41/38/570244138.db2.gz MYUCISFSIOGJSN-UHFFFAOYSA-N 0 0 396.597 3.355 50 0 GGAARN CCCC[C@H](c1cccnc1)N(C)C(=O)c1ccc(Cn2nnnc2C)cc1 ZINC000097499578 570244942 /nfs/dbraw/zinc/24/49/42/570244942.db2.gz FFRLQOGPDDVZCP-HXUWFJFHSA-N 0 0 378.480 3.428 50 0 GGAARN O=C(CCn1c(CO)nc2ccccc21)NCc1ccccc1C(F)(F)F ZINC000097522667 570245286 /nfs/dbraw/zinc/24/52/86/570245286.db2.gz YESZPPXPUNYFNG-UHFFFAOYSA-N 0 0 377.366 3.254 50 0 GGAARN Cc1c(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)[nH]c2c1c(C)ccc2C ZINC000097514451 570245377 /nfs/dbraw/zinc/24/53/77/570245377.db2.gz PHRMPLOPAQSRBS-GOSISDBHSA-N 0 0 375.472 3.276 50 0 GGAARN COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(C)c3)CC2)c(C)cc1C ZINC000001130797 570245459 /nfs/dbraw/zinc/24/54/59/570245459.db2.gz 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/nfs/dbraw/zinc/24/61/71/570246171.db2.gz PFUYMWGODHVNSL-UHFFFAOYSA-N 0 0 383.521 3.411 50 0 GGAARN COC(=O)Cc1c(C)c2ccc(O[C@H](C)C(=O)c3ccccc3)cc2oc1=O ZINC000001132363 570246352 /nfs/dbraw/zinc/24/63/52/570246352.db2.gz DDYKYVBYXDYXRS-CQSZACIVSA-N 0 0 380.396 3.467 50 0 GGAARN O=C(NC1c2ccccc2-c2ccccc21)[C@H](c1cccnc1)N1CCOCC1 ZINC000097594884 570247089 /nfs/dbraw/zinc/24/70/89/570247089.db2.gz WQGNDHFHCKMCNZ-QHCPKHFHSA-N 0 0 385.467 3.341 50 0 GGAARN Cc1ccc2cccc(OCCNC(=O)CCc3[nH]nc4c3CCCC4)c2n1 ZINC000097632055 570247432 /nfs/dbraw/zinc/24/74/32/570247432.db2.gz FGZMTJUMJSONGT-UHFFFAOYSA-N 0 0 378.476 3.273 50 0 GGAARN CCOC(=O)c1n[nH]cc1CN1CCO[C@H](Cc2cccc3ccccc32)C1 ZINC000020205696 570248170 /nfs/dbraw/zinc/24/81/70/570248170.db2.gz NXMZDZCHUILYBM-LJQANCHMSA-N 0 0 379.460 3.183 50 0 GGAARN COc1ccccc1CN(Cc1cccc(F)c1)C(=O)CCN1CCCC1=O ZINC000097654121 570248332 /nfs/dbraw/zinc/24/83/32/570248332.db2.gz HGHBZMCTZWRGQS-UHFFFAOYSA-N 0 0 384.451 3.376 50 0 GGAARN CCCn1nc(C)c(NC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1C ZINC000097642383 570248423 /nfs/dbraw/zinc/24/84/23/570248423.db2.gz GUUGIEVAUAIPGP-UHFFFAOYSA-N 0 0 383.496 3.468 50 0 GGAARN O=C(Nc1ccc(Cl)c2ncccc12)N1CCCO[C@@H](Cn2cccn2)C1 ZINC000097655483 570248634 /nfs/dbraw/zinc/24/86/34/570248634.db2.gz HQJLMIQKEMGVCR-CQSZACIVSA-N 0 0 385.855 3.408 50 0 GGAARN CS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1cccc(C(F)(F)F)c1 ZINC000001146472 570248755 /nfs/dbraw/zinc/24/87/55/570248755.db2.gz ZLDZYPKKFDNAED-UHFFFAOYSA-N 0 0 392.443 3.310 50 0 GGAARN COc1cc(NC(=O)c2ccc(CN3CCOCC3)cc2)c(OC)cc1Cl ZINC000020242048 570249431 /nfs/dbraw/zinc/24/94/31/570249431.db2.gz KMQMFGKVMZOXHB-UHFFFAOYSA-N 0 0 390.867 3.442 50 0 GGAARN O=C(Nc1ccncc1)c1ccc([C@@H]2CCCN2C(=O)c2cnccn2)s1 ZINC000020234302 570249442 /nfs/dbraw/zinc/24/94/42/570249442.db2.gz SVKSPAVRYZLAPK-HNNXBMFYSA-N 0 0 379.445 3.163 50 0 GGAARN Cc1cccc(CN(CC(=O)NC2CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001153362 570249490 /nfs/dbraw/zinc/24/94/90/570249490.db2.gz 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ZINC000097711824 570250518 /nfs/dbraw/zinc/25/05/18/570250518.db2.gz NGTFWHWDFIWCSC-OAHLLOKOSA-N 0 0 383.448 3.477 50 0 GGAARN COc1ccc(Cc2nnc(SCC(=O)NCCc3ccccc3)o2)cc1 ZINC000001156946 570250575 /nfs/dbraw/zinc/25/05/75/570250575.db2.gz IMIZTPSYKGYSLQ-UHFFFAOYSA-N 0 0 383.473 3.120 50 0 GGAARN COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000001156940 570250641 /nfs/dbraw/zinc/25/06/41/570250641.db2.gz VLZBVSZVYMUQPI-UHFFFAOYSA-N 0 0 384.407 3.103 50 0 GGAARN COc1ccc2oc(=O)cc(CN3CCN(Cc4ccccc4F)CC3)c2c1 ZINC000020259470 570250744 /nfs/dbraw/zinc/25/07/44/570250744.db2.gz YKPVRQNBNZTCMD-UHFFFAOYSA-N 0 0 382.435 3.259 50 0 biogenic,in-vitro GGAARN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1 ZINC000001158166 570250913 /nfs/dbraw/zinc/25/09/13/570250913.db2.gz ZMAVQOPWPVMLMS-UHFFFAOYSA-N 0 0 390.480 3.482 50 0 GGAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2C)c(OC)c1 ZINC000001158736 570250980 /nfs/dbraw/zinc/25/09/80/570250980.db2.gz USFBHULSOCCXGB-LJQANCHMSA-N 0 0 397.500 3.444 50 0 GGAARN CCN1C[C@H](CNc2ccc(-c3nc(-c4ccccc4F)no3)cn2)CC1=O ZINC000020271708 570251289 /nfs/dbraw/zinc/25/12/89/570251289.db2.gz ZBGCGPWZTKLNRB-ZDUSSCGKSA-N 0 0 381.411 3.218 50 0 GGAARN COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)c(OC)c1 ZINC000020289886 570251305 /nfs/dbraw/zinc/25/13/05/570251305.db2.gz XXTWZTDZQOVNMD-UHFFFAOYSA-N 0 0 398.488 3.136 50 0 GGAARN O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N1CCCC1 ZINC000001160688 570251720 /nfs/dbraw/zinc/25/17/20/570251720.db2.gz CBMQPLACFQOLDQ-UHFFFAOYSA-N 0 0 392.908 3.153 50 0 GGAARN CCN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(OC)c2)NC1=S ZINC000001161703 570252068 /nfs/dbraw/zinc/25/20/68/570252068.db2.gz IAFZFXLTICCYRN-YBEGLDIGSA-N 0 0 386.448 3.491 50 0 GGAARN Cc1onc(-c2ccccc2Cl)c1C(=O)OCn1nnc2ccccc2c1=O ZINC000001161466 570252134 /nfs/dbraw/zinc/25/21/34/570252134.db2.gz QBDOQRFWYXPDCN-UHFFFAOYSA-N 0 0 396.790 3.223 50 0 GGAARN Cc1c(C(=O)N2CCN(C)CC2)sc2ncnc(NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 ZINC000020327699 570252328 /nfs/dbraw/zinc/25/23/28/570252328.db2.gz KDPJHUQDDMDVFM-OWCLPIDISA-N 0 0 397.548 3.011 50 0 GGAARN Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)Nc2cccc(CC(N)=O)c2)c1 ZINC000097742643 570252546 /nfs/dbraw/zinc/25/25/46/570252546.db2.gz ODLBHZSTXNJSNJ-FQEVSTJZSA-N 0 0 381.476 3.236 50 0 GGAARN COc1ccc(-n2cnnc2)cc1NC(=O)N1CCC[C@H]1c1c(C)noc1C ZINC000097743028 570252616 /nfs/dbraw/zinc/25/26/16/570252616.db2.gz UERVDOWSXSPRHF-INIZCTEOSA-N 0 0 382.424 3.250 50 0 GGAARN COc1cccc(CN2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1 ZINC000020344471 570252607 /nfs/dbraw/zinc/25/26/07/570252607.db2.gz TVVMJMQFCIPBCZ-UHFFFAOYSA-N 0 0 388.533 3.127 50 0 GGAARN Cc1ccccc1NC(=O)CSc1nc2sc3c(c2c(N)n1)CCN(C)C3 ZINC000020358230 570252971 /nfs/dbraw/zinc/25/29/71/570252971.db2.gz WEHLNCRYFGOYGU-UHFFFAOYSA-N 0 0 399.545 3.301 50 0 GGAARN COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097756739 570253018 /nfs/dbraw/zinc/25/30/18/570253018.db2.gz YJYNUBXPJQOMJC-FQEVSTJZSA-N 0 0 391.427 3.033 50 0 GGAARN Cc1ncc2c(c1-c1noc(-c3cccs3)n1)CCN(C(=O)c1c[nH]cn1)C2 ZINC000020362764 570253059 /nfs/dbraw/zinc/25/30/59/570253059.db2.gz SAXYJCDIAAGLSM-UHFFFAOYSA-N 0 0 392.444 3.090 50 0 GGAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1cccnc1 ZINC000002597390 570254248 /nfs/dbraw/zinc/25/42/48/570254248.db2.gz UGXBBKHBCMNBSF-UHFFFAOYSA-N 0 0 399.476 3.108 50 0 GGAARN CCCCN(C)S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(C)nc2)c1 ZINC000097772820 570254666 /nfs/dbraw/zinc/25/46/66/570254666.db2.gz QRRVKVSQRNNHMT-MRXNPFEDSA-N 0 0 389.521 3.302 50 0 GGAARN Cc1cccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCC3)c3ccccc32)c1 ZINC000020408252 570254978 /nfs/dbraw/zinc/25/49/78/570254978.db2.gz NAOHKZWKMWQOBB-UHFFFAOYSA-N 0 0 389.455 3.185 50 0 GGAARN COc1ccc(C(=O)Oc2cc(C)c(CN3CCOCC3)cc2C)cc1OC ZINC000020661201 570255415 /nfs/dbraw/zinc/25/54/15/570255415.db2.gz XYVMVRRJZQOCJP-UHFFFAOYSA-N 0 0 385.460 3.372 50 0 GGAARN COc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc(OC)c1OC ZINC000020427429 570255681 /nfs/dbraw/zinc/25/56/81/570255681.db2.gz VZQJJQFJAGLQEW-JXFKEZNVSA-N 0 0 398.459 3.261 50 0 GGAARN CCCc1nc(C)c(CNC(=O)Nc2cc3c(cc2C)n(C)c(=O)n3C)s1 ZINC000097785178 570256006 /nfs/dbraw/zinc/25/60/06/570256006.db2.gz MBZCKGACLSMJBU-UHFFFAOYSA-N 0 0 387.509 3.225 50 0 GGAARN COCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3 ZINC000020439912 570256100 /nfs/dbraw/zinc/25/61/00/570256100.db2.gz YUJAPHPTNZQHTO-UHFFFAOYSA-N 0 0 387.530 3.174 50 0 GGAARN O=C(CN1CCN(Cc2cccc(Cl)c2)CC1)Nc1ccc(F)cc1F ZINC000020437254 570256119 /nfs/dbraw/zinc/25/61/19/570256119.db2.gz YWTAGSJFDAHEAB-UHFFFAOYSA-N 0 0 379.838 3.375 50 0 GGAARN CCOc1ccc(NC(=O)CN2CCc3[nH]c4ccc(F)cc4c(=O)c3C2)cc1 ZINC000048986677 570256298 /nfs/dbraw/zinc/25/62/98/570256298.db2.gz LGLNQJOHXROMEZ-UHFFFAOYSA-N 0 0 395.434 3.063 50 0 GGAARN COc1ccc(NC(=O)CN2CCc3[nH]c4ccc(Cl)cc4c(=O)c3C2)cc1 ZINC000048987363 570256392 /nfs/dbraw/zinc/25/63/92/570256392.db2.gz JSWICEBFXYDZNM-UHFFFAOYSA-N 0 0 397.862 3.187 50 0 GGAARN Cc1ccc(NC(=O)CN2CCc3[nH]c4ccc(Cl)cc4c(=O)c3C2)cc1 ZINC000048987353 570256428 /nfs/dbraw/zinc/25/64/28/570256428.db2.gz LXPQRFKJNUOOBY-UHFFFAOYSA-N 0 0 381.863 3.487 50 0 GGAARN Cn1ccnc1[C@@H](O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000020450149 570256435 /nfs/dbraw/zinc/25/64/35/570256435.db2.gz LKYNJGYQTCFKFI-KRWDZBQOSA-N 0 0 387.871 3.069 50 0 GGAARN CC(C)(C)C[N@@H+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1CCO ZINC000104291990 570256500 /nfs/dbraw/zinc/25/65/00/570256500.db2.gz RGNLLNFKQWMALR-QGZVFWFLSA-N 0 0 392.931 3.305 50 0 GGAARN Cc1cc2nc(C[N@@H+]3CCC[C@@H](CCc4ccc(F)c(F)c4)C3)cc(=O)n2[n-]1 ZINC000102070231 570256567 /nfs/dbraw/zinc/25/65/67/570256567.db2.gz HBKOQPXOORCCJX-INIZCTEOSA-N 0 0 386.446 3.454 50 0 GGAARN Cc1ccccc1-c1csc2c1[nH]c(N1CCC3(CC1)OCCO3)nc2=O ZINC000048990006 570256671 /nfs/dbraw/zinc/25/66/71/570256671.db2.gz BIFRVEIIQMUMLU-UHFFFAOYSA-N 0 0 383.473 3.303 50 0 biogenic GGAARN COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2cnc(N(C)C)s2)C1 ZINC000020450921 570256729 /nfs/dbraw/zinc/25/67/29/570256729.db2.gz KEEZPDSVINPKLR-CYBMUJFWSA-N 0 0 377.485 3.452 50 0 GGAARN Cc1ccc(NC(=O)CN2CCc3[nH]c4ccccc4c(=O)c3C2)cc1Cl ZINC000048988361 570256768 /nfs/dbraw/zinc/25/67/68/570256768.db2.gz WQRPNPZDZCOFSS-UHFFFAOYSA-N 0 0 381.863 3.487 50 0 GGAARN Cc1cccc(-c2csc3c2[nH]c(N2CCC4(CC2)OCCO4)nc3=O)c1 ZINC000048989980 570256936 /nfs/dbraw/zinc/25/69/36/570256936.db2.gz JNPZGJRBYHVGNA-UHFFFAOYSA-N 0 0 383.473 3.303 50 0 biogenic GGAARN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCN(CCO)CC1 ZINC000020451015 570256902 /nfs/dbraw/zinc/25/69/02/570256902.db2.gz FNENPSPKQDESGX-UHFFFAOYSA-N 0 0 377.488 3.427 50 0 GGAARN CCOc1ccccc1CN1CCN(Cc2ccc(F)c(F)c2)C[C@H]1CCO ZINC000104359498 570257042 /nfs/dbraw/zinc/25/70/42/570257042.db2.gz CSTREGSSPSCHDQ-LJQANCHMSA-N 0 0 390.474 3.432 50 0 GGAARN Cc1cccc(-n2cc(CN3CCN(C=O)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000020451973 570257129 /nfs/dbraw/zinc/25/71/29/570257129.db2.gz QYOOIVCSHCKFRD-UHFFFAOYSA-N 0 0 378.451 3.261 50 0 GGAARN C/C=C(\C)C(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000020453354 570257680 /nfs/dbraw/zinc/25/76/80/570257680.db2.gz STENCZGMFNQGNG-JCSIUADCSA-N 0 0 397.563 3.316 50 0 GGAARN Cc1cccc(CN2CCN(Cc3ccc(F)cc3Cl)C[C@H]2CCO)n1 ZINC000104398586 570257750 /nfs/dbraw/zinc/25/77/50/570257750.db2.gz BELNNVFNIKDJFQ-LJQANCHMSA-N 0 0 377.891 3.251 50 0 GGAARN CCOc1ccccc1CN1CCN(Cc2c(F)cccc2F)C[C@H]1CCO ZINC000104403426 570257938 /nfs/dbraw/zinc/25/79/38/570257938.db2.gz NALXMQQMAVCNAE-GOSISDBHSA-N 0 0 390.474 3.432 50 0 GGAARN CCOc1ccccc1CN1CCN(Cc2ccc(OC)c(C)c2)C[C@H]1CCO ZINC000104373162 570258050 /nfs/dbraw/zinc/25/80/50/570258050.db2.gz ULCQMUGVIUTXMI-JOCHJYFZSA-N 0 0 398.547 3.471 50 0 GGAARN COc1cccc(CNC(=O)Cn2c3ccc(F)cc3c(=O)n2C(C)(C)C)c1 ZINC000049007331 570258376 /nfs/dbraw/zinc/25/83/76/570258376.db2.gz UTWVOUMQJDUPEZ-UHFFFAOYSA-N 0 0 385.439 3.022 50 0 GGAARN CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCc2ccccc2C1 ZINC000049007670 570258853 /nfs/dbraw/zinc/25/88/53/570258853.db2.gz DETHDILBTXIXPJ-UHFFFAOYSA-N 0 0 378.457 3.362 50 0 GGAARN O=C(CSc1cc(-c2ccc(F)cc2)ncn1)NCc1ccc2c(c1)OCO2 ZINC000049026041 570259106 /nfs/dbraw/zinc/25/91/06/570259106.db2.gz YQBKYDJOPDXZHJ-UHFFFAOYSA-N 0 0 397.431 3.420 50 0 GGAARN Cc1ccc(NC(=O)Cn2nc3c(SC4CCCCC4)nccn3c2=O)cc1 ZINC000049008909 570259184 /nfs/dbraw/zinc/25/91/84/570259184.db2.gz MAORAURYSWVGKM-UHFFFAOYSA-N 0 0 397.504 3.263 50 0 GGAARN COc1cccc(CN2CCN(Cc3cccc(SC)c3)C[C@H]2CCO)c1 ZINC000104509846 570259303 /nfs/dbraw/zinc/25/93/03/570259303.db2.gz IVXXNBQVPDGBPD-HXUWFJFHSA-N 0 0 386.561 3.486 50 0 GGAARN CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1cccc(C)n1)C(F)(F)F ZINC000020458856 570259969 /nfs/dbraw/zinc/25/99/69/570259969.db2.gz CFWGCAWSWNVFOI-KRWDZBQOSA-N 0 0 381.354 3.054 50 0 GGAARN CCOc1ccccc1CN1CCN(Cc2cccc(OC)c2)C[C@H]1CCO ZINC000104521366 570260215 /nfs/dbraw/zinc/26/02/15/570260215.db2.gz PYPOGKZDZXWLAA-OAQYLSRUSA-N 0 0 384.520 3.163 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)N1CC(c2nc(-c3ccncc3)no2)C1 ZINC000049032079 570261034 /nfs/dbraw/zinc/26/10/34/570261034.db2.gz QCAWASWRRJTUCC-UHFFFAOYSA-N 0 0 385.811 3.425 50 0 GGAARN c1c(-c2ccc3c(c2)OCO3)nc2n1c1ccccc1n2CCN1CCOCC1 ZINC000020463153 570261134 /nfs/dbraw/zinc/26/11/34/570261134.db2.gz PDQWGJRSNZPVJK-UHFFFAOYSA-N 0 0 390.443 3.017 50 0 GGAARN O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](COCc2ccccc2)C1 ZINC000049031570 570261244 /nfs/dbraw/zinc/26/12/44/570261244.db2.gz DIEFPPJSVNWTMS-GOSISDBHSA-N 0 0 380.444 3.050 50 0 GGAARN O=C(c1ccco1)N1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000020479555 570261346 /nfs/dbraw/zinc/26/13/46/570261346.db2.gz MLQASDPZYXQJFO-UHFFFAOYSA-N 0 0 397.456 3.090 50 0 GGAARN CCc1cccc(-n2nnc(C(=O)NCc3cccnc3)c2-c2cccnc2)c1 ZINC000049003761 570261773 /nfs/dbraw/zinc/26/17/73/570261773.db2.gz IOELYEDMBNBZMF-UHFFFAOYSA-N 0 0 384.443 3.217 50 0 GGAARN O=S(=O)(c1ccccc1)n1cc(-n2cncn2)c(-c2ccc(Cl)cc2)n1 ZINC000001400709 570261879 /nfs/dbraw/zinc/26/18/79/570261879.db2.gz FYVPXKPJCSSKJC-UHFFFAOYSA-N 0 0 385.836 3.021 50 0 GGAARN Cc1nnc([C@@H]2CCCN(C(=O)NCc3nc(-c4ccccc4)cs3)C2)[nH]1 ZINC000274967068 570261933 /nfs/dbraw/zinc/26/19/33/570261933.db2.gz SIHDSWBHLLYKLE-OAHLLOKOSA-N 0 0 382.493 3.326 50 0 GGAARN Cc1cc(-n2nnc(C(=O)NCc3cccnc3)c2-c2ccncc2)ccc1F ZINC000049003549 570261867 /nfs/dbraw/zinc/26/18/67/570261867.db2.gz ROSKWIWTTAXNHF-UHFFFAOYSA-N 0 0 388.406 3.102 50 0 GGAARN O=C(CCCc1c[nH]c2ccccc12)N1C[C@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 ZINC000583652881 570262577 /nfs/dbraw/zinc/26/25/77/570262577.db2.gz JDGFLIDTXUPBAQ-MMOPVJDHSA-N 0 0 379.504 3.350 50 0 biogenic GGAARN O=C(CN1CCC(c2nnc(-c3ccco3)o2)CC1)Nc1cc(F)ccc1F ZINC000049372046 570263122 /nfs/dbraw/zinc/26/31/22/570263122.db2.gz WJXMQVVIMRDYNW-UHFFFAOYSA-N 0 0 388.374 3.426 50 0 GGAARN O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000049388918 570263311 /nfs/dbraw/zinc/26/33/11/570263311.db2.gz SDGGMRRZVXEBHY-UHFFFAOYSA-N 0 0 391.786 3.089 50 0 GGAARN Cc1ccc(NC(=O)Cn2nc3ccc(-c4ccc(C)c(C)c4)nn3c2=O)cc1 ZINC000049399241 570263588 /nfs/dbraw/zinc/26/35/88/570263588.db2.gz IPSPQUCTFWNQTP-UHFFFAOYSA-N 0 0 387.443 3.122 50 0 GGAARN O=C(c1cc(F)ccc1F)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1 ZINC000098211810 570264140 /nfs/dbraw/zinc/26/41/40/570264140.db2.gz ZGWNXCHYKSPNKE-UHFFFAOYSA-N 0 0 386.377 3.456 50 0 GGAARN Cc1cc(C)cc(NC(=O)Cn2cnc3c(-c4ccncc4)nsc3c2=O)c1 ZINC000049401717 570264173 /nfs/dbraw/zinc/26/41/73/570264173.db2.gz IRNZGGHPPOJPMQ-UHFFFAOYSA-N 0 0 391.456 3.171 50 0 GGAARN COc1ccc(-c2noc(-c3nc(-c4ccc5c(c4)OCO5)no3)n2)c(OC)c1 ZINC000098212350 570264326 /nfs/dbraw/zinc/26/43/26/570264326.db2.gz ARNQAIGOUFTUIX-UHFFFAOYSA-N 0 0 394.343 3.200 50 0 GGAARN Cc1cccc(CN2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(C)cc32)c1 ZINC000049402645 570264324 /nfs/dbraw/zinc/26/43/24/570264324.db2.gz OOEGGCMYEITBQE-UHFFFAOYSA-N 0 0 397.500 3.033 50 0 GGAARN COc1ccc(-c2cc(N3CCC(NC(=O)c4ccccc4)CC3)n[nH]2)cc1 ZINC000098212766 570264655 /nfs/dbraw/zinc/26/46/55/570264655.db2.gz NUZGGOXDGNRZAE-UHFFFAOYSA-N 0 0 376.460 3.484 50 0 GGAARN O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)nc1n(c2=O)CCS1 ZINC000049403675 570264662 /nfs/dbraw/zinc/26/46/62/570264662.db2.gz SATOFZGHNUKGFD-UHFFFAOYSA-N 0 0 385.876 3.128 50 0 GGAARN CCOc1ccc(S(=O)(=O)C(=CNc2ccc(F)cc2)C(=O)OC)cc1 ZINC000100025950 570264989 /nfs/dbraw/zinc/26/49/89/570264989.db2.gz HDFSTECYFZLRQZ-ATVHPVEESA-N 0 0 379.409 3.125 50 0 GGAARN OCCN1CN(c2nc3ccccc3s2)CN(c2nc3ccccc3s2)C1 ZINC000020517769 570265085 /nfs/dbraw/zinc/26/50/85/570265085.db2.gz FJCOZEUMVZKJKZ-UHFFFAOYSA-N 0 0 397.529 3.399 50 0 GGAARN O=C(NC1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1)C1CCCCC1 ZINC000049406710 570265112 /nfs/dbraw/zinc/26/51/12/570265112.db2.gz AOJUBAYOBNDSGC-UHFFFAOYSA-N 0 0 380.492 3.378 50 0 GGAARN O=C(NC1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1)c1cccs1 ZINC000049406610 570265172 /nfs/dbraw/zinc/26/51/72/570265172.db2.gz LOKVKMTWKQKLDW-UHFFFAOYSA-N 0 0 398.463 3.312 50 0 GGAARN Cc1cccc(C)c1NC(=O)Cn1nc2cc(-c3ccccc3)nc(C)n2c1=O ZINC000049407123 570265231 /nfs/dbraw/zinc/26/52/31/570265231.db2.gz 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/nfs/dbraw/zinc/27/48/90/570274890.db2.gz PXBWBCQOMQYPAK-UHFFFAOYSA-N 0 0 376.434 3.447 50 0 GGAARN CN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000020676630 570274977 /nfs/dbraw/zinc/27/49/77/570274977.db2.gz HVHPURIEHYCFRJ-OAQYLSRUSA-N 0 0 379.460 3.120 50 0 GGAARN CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000002136640 570275377 /nfs/dbraw/zinc/27/53/77/570275377.db2.gz PUAVCGAMITUPHU-UHFFFAOYSA-N 0 0 397.566 3.157 50 0 GGAARN O=C(CSc1nnc2ccc(-c3ccc(F)cc3)nn21)NCc1ccccc1 ZINC000005168037 570275458 /nfs/dbraw/zinc/27/54/58/570275458.db2.gz JYRQXVGSGUMGTC-UHFFFAOYSA-N 0 0 393.447 3.339 50 0 GGAARN O=C(CCCCCCC(=O)n1nnc2ccccc21)n1nnc2ccccc21 ZINC000002132632 570275598 /nfs/dbraw/zinc/27/55/98/570275598.db2.gz GKWLBJNKSAHDAF-UHFFFAOYSA-N 0 0 376.420 3.497 50 0 GGAARN O=C(CSc1nc2ccccc2c(=O)[nH]1)N1CCc2[nH]c3ccccc3c2C1 ZINC000020718474 570275736 /nfs/dbraw/zinc/27/57/36/570275736.db2.gz CRWNDOIXOZSQOQ-UHFFFAOYSA-N 0 0 390.468 3.081 50 0 biogenic GGAARN COc1cc2ncn(CC(=O)Nc3ccc(C(C)(C)C)cc3)c(=O)c2cc1OC ZINC000020718306 570275888 /nfs/dbraw/zinc/27/58/88/570275888.db2.gz YJFRKTRWNSWDAJ-UHFFFAOYSA-N 0 0 395.459 3.350 50 0 GGAARN COc1cccc(N2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4ccc(C)cc43)CC2)c1 ZINC000020717084 570275901 /nfs/dbraw/zinc/27/59/01/570275901.db2.gz IXROSGNFDQAIJV-OAQYLSRUSA-N 0 0 379.460 3.433 50 0 GGAARN COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N3)cc1 ZINC000020719182 570276193 /nfs/dbraw/zinc/27/61/93/570276193.db2.gz BHKPMSNZCFUUJP-OAHLLOKOSA-N 0 0 397.822 3.129 50 0 GGAARN CC[C@@H](C)[C@H](NC(=O)Nc1ccccc1C(=O)N1CCCCC1)C(=O)OC ZINC000020725250 570276701 /nfs/dbraw/zinc/27/67/01/570276701.db2.gz JBKAQWYMMAAQOL-PBHICJAKSA-N 0 0 375.469 3.022 50 0 GGAARN COc1ccccc1N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(C)cc32)CC1 ZINC000020727757 570276941 /nfs/dbraw/zinc/27/69/41/570276941.db2.gz MMGXESCARQWSRY-OAQYLSRUSA-N 0 0 379.460 3.433 50 0 GGAARN COc1cc(O)c(CCC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000002170444 570276977 /nfs/dbraw/zinc/27/69/77/570276977.db2.gz WHQSRBRQRIEBSL-UHFFFAOYSA-N 0 0 376.405 3.251 50 0 GGAARN O=C(CCn1c(-c2ccccc2)cc2ccccc21)N[C@@H]1CCS(=O)(=O)C1 ZINC000020728197 570276978 /nfs/dbraw/zinc/27/69/78/570276978.db2.gz JTJZAPHURGMXDQ-GOSISDBHSA-N 0 0 382.485 3.002 50 0 GGAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1)OCc1ccccc1 ZINC000002171919 570277036 /nfs/dbraw/zinc/27/70/36/570277036.db2.gz ZQSQNKYPUCKLGR-NRFANRHFSA-N 0 0 389.455 3.236 50 0 GGAARN CCOc1ccccc1CCCNC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000020726481 570277079 /nfs/dbraw/zinc/27/70/79/570277079.db2.gz NEJXDJULKQPLME-UHFFFAOYSA-N 0 0 382.504 3.280 50 0 GGAARN COc1ccc(CNC(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1 ZINC000020729943 570277268 /nfs/dbraw/zinc/27/72/68/570277268.db2.gz OJAZBYDGFBZNCH-FQEVSTJZSA-N 0 0 379.460 3.247 50 0 GGAARN COc1ccccc1N1CCn2c(nc3cc(C(=O)NCC(C)C)ccc32)C1 ZINC000020728638 570277273 /nfs/dbraw/zinc/27/72/73/570277273.db2.gz PUJPZOBZKUWDSO-UHFFFAOYSA-N 0 0 378.476 3.451 50 0 GGAARN COc1ccc2c(ccn2CC(=O)N2CCN(c3ccccc3OC)CC2)c1 ZINC000020730417 570277316 /nfs/dbraw/zinc/27/73/16/570277316.db2.gz YJHOZTAOUGFNKF-UHFFFAOYSA-N 0 0 379.460 3.007 50 0 GGAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)NCCO)C1 ZINC000002182382 570277470 /nfs/dbraw/zinc/27/74/70/570277470.db2.gz DHICQGMMDWGSRR-LBPRGKRZSA-N 0 0 390.505 3.467 50 0 GGAARN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)NCCO)C1 ZINC000002182383 570277497 /nfs/dbraw/zinc/27/74/97/570277497.db2.gz DHICQGMMDWGSRR-GFCCVEGCSA-N 0 0 390.505 3.467 50 0 GGAARN COC(=O)c1cc(NC(=O)COc2ccc3ccccc3c2)cc(C(=O)OC)c1 ZINC000002181314 570277536 /nfs/dbraw/zinc/27/75/36/570277536.db2.gz HNJPVIYWMDWSOT-UHFFFAOYSA-N 0 0 393.395 3.431 50 0 GGAARN COc1cccc(N2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000020731758 570277609 /nfs/dbraw/zinc/27/76/09/570277609.db2.gz ZMDWRUGSXDCWCQ-HXUWFJFHSA-N 0 0 383.423 3.264 50 0 GGAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccco2)C12CCCCC2 ZINC000020733753 570277857 /nfs/dbraw/zinc/27/78/57/570277857.db2.gz DRFCHNQMUZIZIV-HXUWFJFHSA-N 0 0 396.487 3.485 50 0 GGAARN O=C(Cc1cnc(-n2cccc2)s1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000020737988 570278086 /nfs/dbraw/zinc/27/80/86/570278086.db2.gz NKZMIVHJQOJNAR-UHFFFAOYSA-N 0 0 386.908 3.479 50 0 GGAARN COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc(C)c(C)c2)C(=O)N3)cc1 ZINC000020737075 570278200 /nfs/dbraw/zinc/27/82/00/570278200.db2.gz GIWRGBBCRWKAHH-QGZVFWFLSA-N 0 0 391.431 3.093 50 0 GGAARN COc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc(C)c(C)c2)C(=O)N3)cc1 ZINC000020737079 570278270 /nfs/dbraw/zinc/27/82/70/570278270.db2.gz GIWRGBBCRWKAHH-KRWDZBQOSA-N 0 0 391.431 3.093 50 0 GGAARN COc1ccc2c(ccn2CC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 ZINC000020738816 570278423 /nfs/dbraw/zinc/27/84/23/570278423.db2.gz CGOWQIDVTPZFQI-UHFFFAOYSA-N 0 0 379.460 3.121 50 0 GGAARN CC(C)C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O ZINC000002191098 570278530 /nfs/dbraw/zinc/27/85/30/570278530.db2.gz CJASOPDKAGPPCZ-GOSISDBHSA-N 0 0 397.402 3.263 50 0 GGAARN COc1cccc2c([C@H](C(=O)[O-])[NH+]3CCN(c4ccccc4OC)CC3)c[nH]c21 ZINC000020744627 570278720 /nfs/dbraw/zinc/27/87/20/570278720.db2.gz YKXMXQUKLONXTO-OAQYLSRUSA-N 0 0 395.459 3.133 50 0 GGAARN CC(C)[C@@H](NC(=O)CCC[C@H]1c2ccccc2NC1=O)c1nnc2ccccn21 ZINC000020744643 570278776 /nfs/dbraw/zinc/27/87/76/570278776.db2.gz OOZOJPZDBHSJHR-OXJNMPFZSA-N 0 0 391.475 3.449 50 0 GGAARN COC(=O)Cc1ccc(NC(=S)NCCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000002204636 570278817 /nfs/dbraw/zinc/27/88/17/570278817.db2.gz APMKGOHAUVBLJE-UHFFFAOYSA-N 0 0 397.500 3.421 50 0 GGAARN Cc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2cc(C)cc(C)c2)C(=O)N3)cc1 ZINC000020745119 570279019 /nfs/dbraw/zinc/27/90/19/570279019.db2.gz CPORPPKXCRLBSS-KRWDZBQOSA-N 0 0 375.432 3.392 50 0 GGAARN COc1cccc(/C=c2/sc3nnc(-c4ccccc4Cl)n3c2=O)c1OC ZINC000000639469 570279018 /nfs/dbraw/zinc/27/90/18/570279018.db2.gz MHTFGLCAMPJDAE-XNTDXEJSSA-N 0 0 399.859 3.036 50 0 GGAARN CCCCCOc1ccc(/C=c2/sc3nc(-c4ccncc4)nn3c2=O)cc1 ZINC000002208640 570279074 /nfs/dbraw/zinc/27/90/74/570279074.db2.gz JPFWGWDKUOPKNF-NBVRZTHBSA-N 0 0 392.484 3.330 50 0 GGAARN O=C(Nc1ccc(Cl)cc1Cl)c1nnn2c1[nH]c(=O)c1cc(F)ccc12 ZINC000020744863 570279052 /nfs/dbraw/zinc/27/90/52/570279052.db2.gz BVVMNOAPXICMJC-UHFFFAOYSA-N 0 0 392.177 3.269 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1 ZINC000020744828 570279070 /nfs/dbraw/zinc/27/90/70/570279070.db2.gz ISCDLJNIDGUGFG-QUCCMNQESA-N 0 0 380.444 3.412 50 0 GGAARN COc1ccc(-n2ncc3c2NC(=O)C[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000020745682 570279174 /nfs/dbraw/zinc/27/91/74/570279174.db2.gz BKHQTMBCTMLQND-HXUWFJFHSA-N 0 0 378.363 3.250 50 0 GGAARN COc1cc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccccc4)cnn32)cc(OC)c1 ZINC000020745760 570279247 /nfs/dbraw/zinc/27/92/47/570279247.db2.gz TUZPBOVTMHGICP-GOSISDBHSA-N 0 0 392.415 3.089 50 0 GGAARN COc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncccn2)ccc1O ZINC000020745503 570279388 /nfs/dbraw/zinc/27/93/88/570279388.db2.gz SJHBUPOUKKCIHA-MRXNPFEDSA-N 0 0 383.433 3.109 50 0 GGAARN CC(=O)c1ccc(N2CC[NH+]([C@@H](C(=O)[O-])c3c[nH]c4cc(F)ccc43)CC2)cc1 ZINC000020746110 570279647 /nfs/dbraw/zinc/27/96/47/570279647.db2.gz WOYPOWAROIWFOZ-OAQYLSRUSA-N 0 0 395.434 3.458 50 0 GGAARN Cc1cccc(C[C@H](C)NC(=O)c2cc(COc3cncc(Cl)c3)on2)n1 ZINC000020774000 570279867 /nfs/dbraw/zinc/27/98/67/570279867.db2.gz BNRNXKGMWNOGOK-ZDUSSCGKSA-N 0 0 386.839 3.366 50 0 GGAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)c1ccco1 ZINC000002236398 570280149 /nfs/dbraw/zinc/28/01/49/570280149.db2.gz IYZROGNNCTXCPV-UHFFFAOYSA-N 0 0 377.429 3.449 50 0 GGAARN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)c1 ZINC000020784797 570280259 /nfs/dbraw/zinc/28/02/59/570280259.db2.gz BOVFTRFGLKFXAP-QGZVFWFLSA-N 0 0 388.489 3.152 50 0 GGAARN COc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c1 ZINC000002265464 570280790 /nfs/dbraw/zinc/28/07/90/570280790.db2.gz CDVOHCABZTWAIJ-UHFFFAOYSA-N 0 0 389.868 3.052 50 0 GGAARN CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(F)cc1)C(F)(F)F ZINC000002272757 570280890 /nfs/dbraw/zinc/28/08/90/570280890.db2.gz FQIIEAPEABEMPE-QGZVFWFLSA-N 0 0 384.329 3.489 50 0 GGAARN CCOc1ccc(Nc2nc(=NN)nc(Nc3ccc(OCC)cc3)[nH]2)cc1 ZINC000002273017 570280900 /nfs/dbraw/zinc/28/09/00/570280900.db2.gz OVCRWTMYPJJACN-UHFFFAOYSA-N 0 0 381.440 3.442 50 0 GGAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@@H]3C2=O)cc1 ZINC000101171567 570281487 /nfs/dbraw/zinc/28/14/87/570281487.db2.gz MLMNIIWAGRXMHP-SLFFLAALSA-N 0 0 390.395 3.339 50 0 GGAARN O=C(CS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O)Nc1cccc(Cl)c1 ZINC000101160379 570281509 /nfs/dbraw/zinc/28/15/09/570281509.db2.gz MTDVOOPVJNGZHA-OAHLLOKOSA-N 0 0 392.839 3.483 50 0 GGAARN COCCNC(=O)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000002301770 570281866 /nfs/dbraw/zinc/28/18/66/570281866.db2.gz UVSWCGBFHNEBJM-UHFFFAOYSA-N 0 0 388.733 3.038 50 0 GGAARN COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cc(C)on3)cc2C1=O ZINC000002307040 570281920 /nfs/dbraw/zinc/28/19/20/570281920.db2.gz FFNCXENZWUJLOI-UHFFFAOYSA-N 0 0 377.356 3.045 50 0 GGAARN COc1ccc(-n2ccnc2CN2CCC[C@@H]2c2ccc(C(N)=O)s2)cc1 ZINC000020821150 570281959 /nfs/dbraw/zinc/28/19/59/570281959.db2.gz BJMZTUGPMUBPQV-MRXNPFEDSA-N 0 0 382.489 3.378 50 0 GGAARN COc1ccc(CC(=O)N2NC(C(F)(F)F)=C[C@]2(O)C(C)(C)C)cc1OC ZINC000006761852 570282054 /nfs/dbraw/zinc/28/20/54/570282054.db2.gz FAZSWLNXCRYKDG-KRWDZBQOSA-N 0 0 388.386 3.132 50 0 GGAARN COc1cccc(C(=O)Oc2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1 ZINC000101325676 570282435 /nfs/dbraw/zinc/28/24/35/570282435.db2.gz HWXCCBBDMWKAQV-RTBURBONSA-N 0 0 377.396 3.370 50 0 GGAARN COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(O)c1 ZINC000006752849 570282542 /nfs/dbraw/zinc/28/25/42/570282542.db2.gz JCNMVCGYPAJXDE-HXUWFJFHSA-N 0 0 379.416 3.070 50 0 GGAARN Cc1ccc(C(C)C)c(OCC(=O)N2CCN(CCc3ccncc3)CC2)c1 ZINC000020896969 570283688 /nfs/dbraw/zinc/28/36/88/570283688.db2.gz DIDDPPNTVBFNNP-UHFFFAOYSA-N 0 0 381.520 3.279 50 0 GGAARN Cc1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000020898291 570283759 /nfs/dbraw/zinc/28/37/59/570283759.db2.gz HOVJKFIGRKTSIQ-UHFFFAOYSA-N 0 0 386.517 3.484 50 0 GGAARN Cc1cc(OCC(=O)N2CCN(CCc3ccncc3)CC2)cc(C)c1Cl ZINC000020896956 570283767 /nfs/dbraw/zinc/28/37/67/570283767.db2.gz XDLUZHXVVYHKTR-UHFFFAOYSA-N 0 0 387.911 3.118 50 0 GGAARN COc1cccc(OC2CN(Cc3cnc(NCc4ccccc4)nc3)C2)c1 ZINC000215020193 570284018 /nfs/dbraw/zinc/28/40/18/570284018.db2.gz XBAYCPAWHQYTKX-UHFFFAOYSA-N 0 0 376.460 3.361 50 0 GGAARN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC(Oc4cccnc4)CC3)cn2)C1 ZINC000020909453 570284098 /nfs/dbraw/zinc/28/40/98/570284098.db2.gz YHTNJQCKEOGDCS-QGZVFWFLSA-N 0 0 380.492 3.397 50 0 GGAARN C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c3c(cc1O)C(=O)NC3=O)O2 ZINC000103237835 570284169 /nfs/dbraw/zinc/28/41/69/570284169.db2.gz JGLXRTLGZYXTLO-NMBLNHEASA-N 0 0 399.487 3.183 50 0 biogenic GGAARN CCN1CCN(C2(C(=O)NCCCC3CCCC3)Cc3ccccc3C2)CC1 ZINC000020916630 570284427 /nfs/dbraw/zinc/28/44/27/570284427.db2.gz QPBPKKHSZQPIHT-UHFFFAOYSA-N 0 0 383.580 3.248 50 0 GGAARN C[C@H](Nc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1)c1nncn1C ZINC000020916171 570284489 /nfs/dbraw/zinc/28/44/89/570284489.db2.gz IMJVFJOQJYKSER-LBPRGKRZSA-N 0 0 379.399 3.163 50 0 GGAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2N)c1 ZINC000002373467 570284538 /nfs/dbraw/zinc/28/45/38/570284538.db2.gz HFQFLQFJADOUPB-UHFFFAOYSA-N 0 0 391.859 3.491 50 0 GGAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2)cc1 ZINC000000656165 570284867 /nfs/dbraw/zinc/28/48/67/570284867.db2.gz AZPSRXNPVKFERB-UHFFFAOYSA-N 0 0 381.457 3.224 50 0 GGAARN COc1ccc([C@@H](c2sc3ncnn3c2[O-])[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000033384231 570285130 /nfs/dbraw/zinc/28/51/30/570285130.db2.gz NNLLDEPNPZGMDL-LRDDRELGSA-N 0 0 388.493 3.335 50 0 GGAARN C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1cccc(C(=O)N2CCC2)c1 ZINC000215076394 570285372 /nfs/dbraw/zinc/28/53/72/570285372.db2.gz QVUAKZJWBGXKAE-AWEZNQCLSA-N 0 0 376.453 3.053 50 0 GGAARN C[C@@H](NC(=O)Cc1nc2cc(Cl)ccc2[nH]1)c1nc(-c2cccnc2)no1 ZINC000215107188 570285521 /nfs/dbraw/zinc/28/55/21/570285521.db2.gz APNZBILSUPARIV-SNVBAGLBSA-N 0 0 382.811 3.081 50 0 GGAARN Cc1cc(C)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)N2CCCN32)c(C)c1 ZINC000101892810 570285809 /nfs/dbraw/zinc/28/58/09/570285809.db2.gz YJSFSCDGKNCDTQ-CEWLAPEOSA-N 0 0 375.472 3.147 50 0 GGAARN NC(=O)c1ccc(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000002399092 570285944 /nfs/dbraw/zinc/28/59/44/570285944.db2.gz ASKNZZGBFXRORG-UHFFFAOYSA-N 0 0 398.513 3.400 50 0 GGAARN COc1cccc(-n2cc(CNC(=O)c3cc(-c4ccsc4)n[nH]3)cn2)c1 ZINC000215184459 570286106 /nfs/dbraw/zinc/28/61/06/570286106.db2.gz RNHPDKRLFXIIJX-UHFFFAOYSA-N 0 0 379.445 3.263 50 0 GGAARN COc1ccc(-c2cn3c(C(=O)N(C)Cc4cc[nH]n4)csc3n2)cc1F ZINC000020994853 570286330 /nfs/dbraw/zinc/28/63/30/570286330.db2.gz LUJWBLYLRCHIRF-UHFFFAOYSA-N 0 0 385.424 3.206 50 0 GGAARN O=C(c1ccc(COc2ccc3c(c2)CCC3)o1)N1NC=C[C@@]1(O)C(F)(F)F ZINC000006829261 570286439 /nfs/dbraw/zinc/28/64/39/570286439.db2.gz FKIDBQIORYJEFN-GOSISDBHSA-N 0 0 394.349 3.430 50 0 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/nfs/dbraw/zinc/28/74/56/570287456.db2.gz ZELHPPUKPCLGDQ-SFHVURJKSA-N 0 0 377.444 3.442 50 0 GGAARN COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)[nH]n2)cc1 ZINC000021017196 570287548 /nfs/dbraw/zinc/28/75/48/570287548.db2.gz MTRNEJRIXJOKPK-UHFFFAOYSA-N 0 0 380.423 3.187 50 0 GGAARN COC(=O)c1ccn(-c2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)n1 ZINC000002498212 570288501 /nfs/dbraw/zinc/28/85/01/570288501.db2.gz XOGQINKDKQCEIN-UHFFFAOYSA-N 0 0 378.310 3.143 50 0 GGAARN CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1/C=C/c1ccccc1OC ZINC000002509443 570289371 /nfs/dbraw/zinc/28/93/71/570289371.db2.gz IMIQHVYDLXKQEK-NFGUQPCJSA-N 0 0 386.473 3.248 50 0 aggregator GGAARN Cc1c(Cl)c(C(=O)N(Cc2ccncc2)C[C@@H](O)c2ccccc2)nn1C ZINC000215577227 570290036 /nfs/dbraw/zinc/29/00/36/570290036.db2.gz IYRPNBCHOIALHW-QGZVFWFLSA-N 0 0 384.867 3.153 50 0 GGAARN Cc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(-n3cnnc3)c2)c1 ZINC000215576134 570290128 /nfs/dbraw/zinc/29/01/28/570290128.db2.gz LYTGHRFRBAODCM-OAQYLSRUSA-N 0 0 376.460 3.397 50 0 GGAARN CO[C@@H]1C[C@@H](OC(=O)c2ccc(C)cc2)[C@H](COC(=O)c2ccc(C)cc2)O1 ZINC000002555626 570290646 /nfs/dbraw/zinc/29/06/46/570290646.db2.gz MTMWQYDEGWXCTH-AABGKKOBSA-N 0 0 384.428 3.447 50 0 GGAARN CCn1cc(Cl)c(C(=O)N(Cc2ccc(OC)cc2)C[C@H]2CCCO2)n1 ZINC000215879831 570292811 /nfs/dbraw/zinc/29/28/11/570292811.db2.gz ZVQSTABQZHMXGO-MRXNPFEDSA-N 0 0 377.872 3.386 50 0 GGAARN O=C([C@H]1CCOC1)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000215896440 570293229 /nfs/dbraw/zinc/29/32/29/570293229.db2.gz WGGFWPVSOCTGGD-SFHVURJKSA-N 0 0 379.460 3.125 50 0 GGAARN O=C(NCc1ccco1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1cccs1 ZINC000004827860 570295066 /nfs/dbraw/zinc/29/50/66/570295066.db2.gz NRSCVDDWNSOUOX-OQLLNIDSSA-N 0 0 396.424 3.157 50 0 GGAARN COc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002690070 570295403 /nfs/dbraw/zinc/29/54/03/570295403.db2.gz NXJRBWYDUICHIR-UHFFFAOYSA-N 0 0 376.478 3.043 50 0 GGAARN COc1ccc(-c2nc3s/c(=C\c4c(F)cccc4Cl)c(=O)n3n2)cc1 ZINC000002700959 570295760 /nfs/dbraw/zinc/29/57/60/570295760.db2.gz CSPFXNUYJPAXDJ-DHDCSXOGSA-N 0 0 387.823 3.167 50 0 GGAARN COc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c(OC)c1 ZINC000021786151 570295894 /nfs/dbraw/zinc/29/58/94/570295894.db2.gz YUZSOZJLULOXAE-UHFFFAOYSA-N 0 0 382.372 3.382 50 0 GGAARN CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)c1ccccc1-c1nc[nH]n1 ZINC000216112241 570296013 /nfs/dbraw/zinc/29/60/13/570296013.db2.gz LBYBUCYSQPYICW-UHFFFAOYSA-N 0 0 376.395 3.273 50 0 GGAARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)N(CCc2ccccc2)C1=S ZINC000002729804 570296123 /nfs/dbraw/zinc/29/61/23/570296123.db2.gz ARERQMHLPAMGBF-SFHVURJKSA-N 0 0 399.491 3.215 50 0 GGAARN CCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000002736834 570297010 /nfs/dbraw/zinc/29/70/10/570297010.db2.gz QJTZHEODAUNTAC-UHFFFAOYSA-N 0 0 376.434 3.013 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)CSc2ncn(-c3ccccc3)n2)cc1 ZINC000002751004 570298161 /nfs/dbraw/zinc/29/81/61/570298161.db2.gz XUSQSUOGYRTLKF-UHFFFAOYSA-N 0 0 382.445 3.175 50 0 GGAARN CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000002762149 570299126 /nfs/dbraw/zinc/29/91/26/570299126.db2.gz NWSMBTBQIADDNF-HNNXBMFYSA-N 0 0 386.370 3.255 50 0 GGAARN CCc1n[nH]c(=O)c(CNC(=O)Nc2nc(CC(F)(F)F)cs2)c1CC ZINC000455727312 570299689 /nfs/dbraw/zinc/29/96/89/570299689.db2.gz PSNGEDZXPAGTFN-UHFFFAOYSA-N 0 0 389.403 3.190 50 0 GGAARN Cc1cccc(-c2nc3c(c(SCC(=O)N4CCOCC4)n2)CCCC3)c1 ZINC000000714097 570302570 /nfs/dbraw/zinc/30/25/70/570302570.db2.gz KEQXJHMQOGESMA-UHFFFAOYSA-N 0 0 383.517 3.282 50 0 GGAARN Cc1ccc(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1C ZINC000002815846 570304656 /nfs/dbraw/zinc/30/46/56/570304656.db2.gz MXXXDOGKPHRKFI-UHFFFAOYSA-N 0 0 398.594 3.252 50 0 GGAARN CCCCNS(=O)(=O)c1ccc(NC(=O)c2c(OC)cccc2OC)cc1 ZINC000002826777 570305081 /nfs/dbraw/zinc/30/50/81/570305081.db2.gz ZVGHVEUNNBQNCE-UHFFFAOYSA-N 0 0 392.477 3.035 50 0 biogenic GGAARN Cc1ccc(S(=O)(=O)NC(=N)Nc2nc(C)c3cc(C)c(C)cc3n2)cc1 ZINC000002834415 570305691 /nfs/dbraw/zinc/30/56/91/570305691.db2.gz IIBQJNXNUUYJQZ-UHFFFAOYSA-N 0 0 383.477 3.189 50 0 aggregator GGAARN CCCNC(=O)CN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002832633 570305692 /nfs/dbraw/zinc/30/56/92/570305692.db2.gz GKBAOFMFAQDVCE-UHFFFAOYSA-N 0 0 394.924 3.366 50 0 GGAARN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)Cc2cccc(C)c2)cc1 ZINC000002832305 570305751 /nfs/dbraw/zinc/30/57/51/570305751.db2.gz WCCLEFAJXDUUSO-UHFFFAOYSA-N 0 0 388.533 3.409 50 0 GGAARN CCCNC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002833196 570305757 /nfs/dbraw/zinc/30/57/57/570305757.db2.gz WZWJUHFFCSISQM-UHFFFAOYSA-N 0 0 398.887 3.196 50 0 GGAARN CC(C)Sc1ccc(CC(=O)NCCn2ccc3ccn(C)c3c2=O)cc1 ZINC000575415036 570305806 /nfs/dbraw/zinc/30/58/06/570305806.db2.gz WVQAQKFTHPFUMO-UHFFFAOYSA-N 0 0 383.517 3.199 50 0 GGAARN CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(N)cc1 ZINC000002836701 570306287 /nfs/dbraw/zinc/30/62/87/570306287.db2.gz XVZJXNREJOLKRS-UHFFFAOYSA-N 0 0 383.477 3.287 50 0 GGAARN CCN(CC)C(=O)Cn1cc(C(=O)C(F)(F)F)c2ccc(C(=O)OC)cc21 ZINC000002838548 570306644 /nfs/dbraw/zinc/30/66/44/570306644.db2.gz FDZZHYPZYLCKFO-UHFFFAOYSA-N 0 0 384.354 3.041 50 0 GGAARN COCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccccc1 ZINC000002838696 570306657 /nfs/dbraw/zinc/30/66/57/570306657.db2.gz HNACMIKCHBCPIN-UHFFFAOYSA-N 0 0 398.488 3.331 50 0 GGAARN Cc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 ZINC000002841155 570306980 /nfs/dbraw/zinc/30/69/80/570306980.db2.gz WNWKGEDFJIHIBZ-UHFFFAOYSA-N 0 0 388.533 3.178 50 0 GGAARN CCc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3OC)CC2)cc1 ZINC000002846256 570307970 /nfs/dbraw/zinc/30/79/70/570307970.db2.gz XYJSFLGJAZQUTC-UHFFFAOYSA-N 0 0 394.924 3.422 50 0 GGAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(F)cc1F ZINC000002853732 570309543 /nfs/dbraw/zinc/30/95/43/570309543.db2.gz CNKUQVHVDZNTPO-UHFFFAOYSA-N 0 0 381.404 3.393 50 0 GGAARN CC(=O)c1ccc(NC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000002856088 570309774 /nfs/dbraw/zinc/30/97/74/570309774.db2.gz HWQGCKJRIPQHJO-UHFFFAOYSA-N 0 0 387.461 3.318 50 0 GGAARN CCOC(=O)c1sc(NC(=S)Nc2cnccn2)c(C(=O)OCC)c1C ZINC000002855629 570309821 /nfs/dbraw/zinc/30/98/21/570309821.db2.gz ZVVJHUKRRQBTSH-UHFFFAOYSA-N 0 0 394.478 3.009 50 0 GGAARN CCOc1ccccc1N1CCN(C(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000002856918 570310082 /nfs/dbraw/zinc/31/00/82/570310082.db2.gz MDCRHQSKEORUII-UHFFFAOYSA-N 0 0 383.448 3.226 50 0 GGAARN CC(=O)c1ccc(N2CCN(C(=S)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000002858168 570310421 /nfs/dbraw/zinc/31/04/21/570310421.db2.gz NXOCBOJXNXZEMX-UHFFFAOYSA-N 0 0 383.473 3.137 50 0 GGAARN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000002859293 570310979 /nfs/dbraw/zinc/31/09/79/570310979.db2.gz UYRFBOJBKFJRKF-UHFFFAOYSA-N 0 0 385.445 3.137 50 0 GGAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000002859715 570311060 /nfs/dbraw/zinc/31/10/60/570311060.db2.gz JGIQZQMVVWFWQQ-UHFFFAOYSA-N 0 0 390.505 3.386 50 0 GGAARN CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)Cc1cccc(OC)c1 ZINC000002859735 570311122 /nfs/dbraw/zinc/31/11/22/570311122.db2.gz AMHKNUPSSOWFOU-UHFFFAOYSA-N 0 0 379.416 3.239 50 0 GGAARN COc1ccccc1N1CCN(C(=O)c2cc(-c3cccs3)nn2C)CC1 ZINC000035293605 570311543 /nfs/dbraw/zinc/31/15/43/570311543.db2.gz NIHDWHZDOAXRDR-UHFFFAOYSA-N 0 0 382.489 3.120 50 0 GGAARN CN(CC(=O)Nc1cccc2c1CCCC2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002862486 570311695 /nfs/dbraw/zinc/31/16/95/570311695.db2.gz GFUBVIXHFAQBLO-UHFFFAOYSA-N 0 0 392.908 3.478 50 0 GGAARN Cc1ccc(N2C(=O)N[C@](NC(=O)c3cccs3)(C(F)(F)F)C2=O)cc1C ZINC000002867218 570312862 /nfs/dbraw/zinc/31/28/62/570312862.db2.gz NESPKMSRTWCRTF-INIZCTEOSA-N 0 0 397.378 3.110 50 0 GGAARN COc1cccc(NC(=O)Cc2nnc(SCCOc3ccccc3)n2C)c1 ZINC000002868753 570313445 /nfs/dbraw/zinc/31/34/45/570313445.db2.gz WCXBEWRSGBKUSP-UHFFFAOYSA-N 0 0 398.488 3.176 50 0 GGAARN NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000002868664 570313552 /nfs/dbraw/zinc/31/35/52/570313552.db2.gz VFUKGSYOIMPIAS-UHFFFAOYSA-N 0 0 382.441 3.160 50 0 GGAARN COC(=O)c1cc2ccccc2cc1OC[C@@H](O)Cn1cnc2ccccc21 ZINC000005586663 570313989 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CCc1cccc(C)c1NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000002883383 570316026 /nfs/dbraw/zinc/31/60/26/570316026.db2.gz HKKXKRFLLOKVLQ-UHFFFAOYSA-N 0 0 388.489 3.165 50 0 GGAARN Cc1cccn2cc(-c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)nc12 ZINC000006184437 570316977 /nfs/dbraw/zinc/31/69/77/570316977.db2.gz CIRGAQHCUJTAES-HZPDHXFCSA-N 0 0 385.489 3.108 50 0 GGAARN COC(=O)c1cc2ccc(C3(O)CCN(C(=O)OC(C)(C)C)CC3)cc2o1 ZINC000072233830 570319264 /nfs/dbraw/zinc/31/92/64/570319264.db2.gz VOUMYIQOJARPQI-UHFFFAOYSA-N 0 0 375.421 3.438 50 0 GGAARN O=C1[C@H]2[C@H]3CSCN3[C@@H](C=Cc3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000109496392 570320599 /nfs/dbraw/zinc/32/05/99/570320599.db2.gz MBXWDSGZEQLRNI-LFOMKXGLSA-N 0 0 376.481 3.263 50 0 GGAARN CCN(CC)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000002968067 570320721 /nfs/dbraw/zinc/32/07/21/570320721.db2.gz DPCZTAAMOIWIFX-UHFFFAOYSA-N 0 0 390.505 3.067 50 0 GGAARN CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(C)cn3)nc21 ZINC000002971512 570321268 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CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)C(C)C)c3)nn12 ZINC000004125385 570358523 /nfs/dbraw/zinc/35/85/23/570358523.db2.gz SLGCFTTUXQXQSL-UHFFFAOYSA-N 0 0 388.522 3.193 50 0 GGAARN CCCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCCOCC ZINC000004121975 570358586 /nfs/dbraw/zinc/35/85/86/570358586.db2.gz TYROICXAOZKXBE-SFHVURJKSA-N 0 0 376.453 3.073 50 0 GGAARN O=C(CSc1ccc(F)cc1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575616835 570358670 /nfs/dbraw/zinc/35/86/70/570358670.db2.gz KHXHTCKLCVCABY-MRXNPFEDSA-N 0 0 397.475 3.491 50 0 GGAARN CCOc1ccc(CN2CCN(Cc3nc4ccccc4[nH]3)C[C@@H]2CCO)cc1 ZINC000023375307 570358925 /nfs/dbraw/zinc/35/89/25/570358925.db2.gz OCJJQKDJJDWMKG-IBGZPJMESA-N 0 0 394.519 3.030 50 0 GGAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CC(N2CCc3sccc3C2)C1 ZINC000390827818 570359269 /nfs/dbraw/zinc/35/92/69/570359269.db2.gz KPRSZHKAYFSOON-UHFFFAOYSA-N 0 0 396.491 3.170 50 0 GGAARN O=C(OCc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)cc4)C(=O)[C@H]13)O2 ZINC000004143999 570359447 /nfs/dbraw/zinc/35/94/47/570359447.db2.gz ITOQZFZYKJYLSZ-NXWNEQKCSA-N 0 0 395.842 3.370 50 0 GGAARN O=C(Cc1c[nH]c2ccccc12)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 ZINC000390828162 570359850 /nfs/dbraw/zinc/35/98/50/570359850.db2.gz AEONAJNRYXQJHW-SFHVURJKSA-N 0 0 388.514 3.160 50 0 GGAARN Cc1ccc(C(O)=C2[C@H](c3ccc(F)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000004163693 570360566 /nfs/dbraw/zinc/36/05/66/570360566.db2.gz XTEXKLOHKUNMQQ-RLFYNMQTSA-N 0 0 396.340 3.238 50 0 GGAARN Cc1nc2ccccc2n1[C@H]1CCN(C(=O)c2ccc(N3CCOCC3)cc2)C1 ZINC000575617309 570360655 /nfs/dbraw/zinc/36/06/55/570360655.db2.gz NPDWCUYBBTWJGQ-FQEVSTJZSA-N 0 0 390.487 3.269 50 0 GGAARN CC[C@@H](C)NC(=O)N1CCc2c(cnc(C)c2-c2noc([C@@H]3CCCO3)n2)C1 ZINC000023399263 570360961 /nfs/dbraw/zinc/36/09/61/570360961.db2.gz WGKSQKBIHHQREH-WBMJQRKESA-N 0 0 385.468 3.158 50 0 GGAARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(C)cc3)c2=O)cc1 ZINC000004904842 570361074 /nfs/dbraw/zinc/36/10/74/570361074.db2.gz FGNCORBHXMCLLF-UHFFFAOYSA-N 0 0 399.450 3.408 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570361647 /nfs/dbraw/zinc/36/16/47/570361647.db2.gz OWQMSDPHCFRUON-UHFFFAOYSA-N 0 0 395.290 3.291 50 0 GGAARN O=C(NCc1cncc(N2CCCC2=O)c1)c1ccc(OC(F)(F)F)cc1 ZINC000575617989 570361900 /nfs/dbraw/zinc/36/19/00/570361900.db2.gz CTDLQJWSCILETR-UHFFFAOYSA-N 0 0 379.338 3.037 50 0 GGAARN COC(=O)C[C@H](c1c(O)cc(C)n(CCc2c[nH]cn2)c1=O)C1CCCCC1 ZINC000604418496 570362438 /nfs/dbraw/zinc/36/24/38/570362438.db2.gz DODFZXRWLLEXMC-KRWDZBQOSA-N 0 0 387.480 3.055 50 0 GGAARN COc1ccc([C@H](NC(=O)N2CCN(CCc3ccncc3)CC2)C(C)C)cc1 ZINC000604418454 570362493 /nfs/dbraw/zinc/36/24/93/570362493.db2.gz DWAMKMLTPQLLML-JOCHJYFZSA-N 0 0 396.535 3.357 50 0 GGAARN CN(C[C@@H]1CCCCO1)C(=O)c1cc(COc2cccc3cccnc32)on1 ZINC000023431896 570362558 /nfs/dbraw/zinc/36/25/58/570362558.db2.gz UMAINVJDKJQTSZ-INIZCTEOSA-N 0 0 381.432 3.443 50 0 GGAARN COc1ccccc1CCNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000023443866 570362919 /nfs/dbraw/zinc/36/29/19/570362919.db2.gz INGZVZYXXHTNQE-UHFFFAOYSA-N 0 0 399.450 3.367 50 0 GGAARN Cn1cc(CCNC(=O)c2cc(-n3cnnc3)ccc2Cl)c2ccccc21 ZINC000604419703 570363513 /nfs/dbraw/zinc/36/35/13/570363513.db2.gz SQNIUIFOFGRNDF-UHFFFAOYSA-N 0 0 379.851 3.385 50 0 GGAARN O=C(c1cc2cc(F)ccc2[nH]1)N1CCC(n2cc(-c3ccccn3)nn2)CC1 ZINC000023542222 570364674 /nfs/dbraw/zinc/36/46/74/570364674.db2.gz HJPDZLQWIPBOFC-UHFFFAOYSA-N 0 0 390.422 3.438 50 0 GGAARN Cc1ncc2c(c1-c1noc(-c3cn[nH]c3)n1)CCN(C(=O)C[C@@H]1C=CCC1)C2 ZINC000023541489 570364715 /nfs/dbraw/zinc/36/47/15/570364715.db2.gz HULQLSRNDUIYJT-CQSZACIVSA-N 0 0 390.447 3.071 50 0 GGAARN O=C(NCc1cn(-c2cccnc2)nn1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000575618845 570365185 /nfs/dbraw/zinc/36/51/85/570365185.db2.gz PUXQMFDZTYGNEF-UHFFFAOYSA-N 0 0 381.867 3.444 50 0 GGAARN O=C(NCc1ccnc(N2CCCC2=O)c1)c1cc(-c2ccc(F)cc2)c[nH]1 ZINC000575618882 570365201 /nfs/dbraw/zinc/36/52/01/570365201.db2.gz JOLHLXNYLRGWQU-UHFFFAOYSA-N 0 0 378.407 3.273 50 0 GGAARN O=C(CCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCc2ccccc2C1 ZINC000004279555 570365386 /nfs/dbraw/zinc/36/53/86/570365386.db2.gz YPMHXNUSFABJHV-UHFFFAOYSA-N 0 0 384.435 3.411 50 0 GGAARN CC[C@H](O)c1cc2n(n1)CCCN(Cc1nc(C)cc(-c3ccccc3)n1)C2 ZINC000219544524 570366277 /nfs/dbraw/zinc/36/62/77/570366277.db2.gz PDSADDVYWVMRCE-NRFANRHFSA-N 0 0 377.492 3.498 50 0 GGAARN Cc1nc[nH]c1CN1CCc2c(cnc(C)c2-c2noc(-c3ccncc3)n2)C1 ZINC000023582005 570366381 /nfs/dbraw/zinc/36/63/81/570366381.db2.gz SAHKBBCECKCNLC-UHFFFAOYSA-N 0 0 387.447 3.092 50 0 GGAARN O=C(/C=C/c1cc(F)ccc1F)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390831334 570366452 /nfs/dbraw/zinc/36/64/52/570366452.db2.gz RHASCHKUOVUTGM-AIADIJKESA-N 0 0 391.439 3.366 50 0 GGAARN O=C([C@@H]1COc2ccccc2C1)N1CCc2[nH]nc(-c3cccc(F)c3F)c2C1 ZINC000023620106 570366767 /nfs/dbraw/zinc/36/67/67/570366767.db2.gz ZPRKPQRPRJEJIX-AWEZNQCLSA-N 0 0 395.409 3.491 50 0 GGAARN Cc1onc(-c2ccccc2)c1C(=O)N1CCC(c2cc(=O)[nH]c(C)n2)CC1 ZINC000023619067 570366861 /nfs/dbraw/zinc/36/68/61/570366861.db2.gz JSZOKUBALDEJEQ-UHFFFAOYSA-N 0 0 378.432 3.062 50 0 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570498656 /nfs/dbraw/zinc/49/86/56/570498656.db2.gz TYXOYAHPOVUNKS-UHFFFAOYSA-N 0 0 388.474 3.348 50 0 GGAARN CCOc1ccc(N2C[C@H](NC(=O)Nc3cc(F)ccc3F)CC2=O)cc1 ZINC000005192795 570499212 /nfs/dbraw/zinc/49/92/12/570499212.db2.gz NNLPWFFYSZTSER-CYBMUJFWSA-N 0 0 375.375 3.291 50 0 GGAARN CCOc1ccc(N2C[C@@H](NC(=O)NCc3ccccc3Cl)CC2=O)cc1 ZINC000005192384 570499401 /nfs/dbraw/zinc/49/94/01/570499401.db2.gz PALXUVQLKGXUQA-HNNXBMFYSA-N 0 0 387.867 3.343 50 0 GGAARN CCCN1CCc2c(sc(NC(=O)CSc3ccccc3)c2C(N)=O)C1 ZINC000005192217 570499417 /nfs/dbraw/zinc/49/94/17/570499417.db2.gz XSTKGWXHPVREKI-UHFFFAOYSA-N 0 0 389.546 3.346 50 0 GGAARN O=C(Nc1ccc(OC(F)F)cc1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000005195153 570499567 /nfs/dbraw/zinc/49/95/67/570499567.db2.gz WQTRLLMACUDCKY-CYBMUJFWSA-N 0 0 379.338 3.354 50 0 GGAARN COc1cccc(N2C[C@@H](NC(=O)c3ccccc3C(F)(F)F)CC2=O)c1 ZINC000005194898 570499717 /nfs/dbraw/zinc/49/97/17/570499717.db2.gz FCHOZFOBEFSOJL-LBPRGKRZSA-N 0 0 378.350 3.249 50 0 GGAARN O=C1C[C@@H](N2CCc3c4ccccc4[nH]c3C2)C(=O)N1c1ccc(F)c(F)c1 ZINC000030903947 570500919 /nfs/dbraw/zinc/50/09/19/570500919.db2.gz OXJYCZVLHPWKPJ-LJQANCHMSA-N 0 0 381.382 3.136 50 0 GGAARN O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2)c1cccc(F)c1 ZINC000007214282 570501255 /nfs/dbraw/zinc/50/12/55/570501255.db2.gz FQCMBGPOOKOSLZ-UHFFFAOYSA-N 0 0 388.464 3.491 50 0 GGAARN CC(=O)c1ccc(F)c(-c2ccc(C(=O)N[C@@H]3CC(=O)N(C(C)C)C3)cc2)c1 ZINC000426620312 570501647 /nfs/dbraw/zinc/50/16/47/570501647.db2.gz YDZQXKZXQZKERS-GOSISDBHSA-N 0 0 382.435 3.434 50 0 GGAARN Cc1cc(C(F)(F)F)n2ncc(C(=O)N3CCOc4ccccc4C3)c2n1 ZINC000426623372 570502484 /nfs/dbraw/zinc/50/24/84/570502484.db2.gz VYBKPPCXWSOVAH-UHFFFAOYSA-N 0 0 376.338 3.091 50 0 GGAARN O=C(NCC[C@@H](c1ccco1)c1ccccc1)N1CCC2(CCC(=O)N2)CC1 ZINC000426628731 570503048 /nfs/dbraw/zinc/50/30/48/570503048.db2.gz HKGFLCFZYJNWLD-GOSISDBHSA-N 0 0 381.476 3.256 50 0 GGAARN CCc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1 ZINC000005202124 570504326 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CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3ccncc3)c(Cl)cc12 ZINC000005205338 570507345 /nfs/dbraw/zinc/50/73/45/570507345.db2.gz UQYIUZMXOKKKTF-GFCCVEGCSA-N 0 0 386.835 3.488 50 0 GGAARN COc1cccc(N2CCN(C(=O)CCn3c(C)nc4ccccc43)CC2)c1 ZINC000005210189 570507356 /nfs/dbraw/zinc/50/73/56/570507356.db2.gz HPNYIUCNACBRRQ-UHFFFAOYSA-N 0 0 378.476 3.092 50 0 GGAARN CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)Nc4ccc(F)cc4)C3)nn21 ZINC000032071814 570507486 /nfs/dbraw/zinc/50/74/86/570507486.db2.gz YXKCPMPYMVQLGP-AWEZNQCLSA-N 0 0 382.443 3.242 50 0 GGAARN Cc1coc2c1cc1c(C)c(CC(=O)NCCCn3ccnc3)c(=O)oc1c2C ZINC000006623704 570507500 /nfs/dbraw/zinc/50/75/00/570507500.db2.gz UUZFDVJYQQMMBH-UHFFFAOYSA-N 0 0 393.443 3.410 50 0 biogenic GGAARN O=C(c1cc(=O)[nH]c2ccccc21)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000032090850 570507886 /nfs/dbraw/zinc/50/78/86/570507886.db2.gz DPIJGZQHHXKHII-UHFFFAOYSA-N 0 0 382.847 3.305 50 0 GGAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)C12CCCC2 ZINC000032074142 570508027 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/nfs/dbraw/zinc/51/09/22/570510922.db2.gz ZEECQPWGYNSHFZ-MHZLTWQESA-N 0 0 385.420 3.035 50 0 GGAARN CCCCc1ncc(-c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)cn1 ZINC000032565263 570511444 /nfs/dbraw/zinc/51/14/44/570511444.db2.gz JJZANVPEWIOLMC-UHFFFAOYSA-N 0 0 389.503 3.422 50 0 GGAARN CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1cccnc1 ZINC000032579384 570511664 /nfs/dbraw/zinc/51/16/64/570511664.db2.gz ASWRJUOPQOCTAI-UHFFFAOYSA-N 0 0 384.461 3.352 50 0 GGAARN Cc1c(C(N)=O)sc(NC(=O)c2c(F)cccc2F)c1C(=O)OC(C)C ZINC000002762998 570512268 /nfs/dbraw/zinc/51/22/68/570512268.db2.gz FXTOPMQSAHQRTG-UHFFFAOYSA-N 0 0 382.388 3.251 50 0 GGAARN Cc1c(C(N)=O)sc(NC(=O)COc2ccccc2C)c1C(=O)OC(C)C ZINC000002762914 570512321 /nfs/dbraw/zinc/51/23/21/570512321.db2.gz QYLAXCNMZHXOTB-UHFFFAOYSA-N 0 0 390.461 3.047 50 0 GGAARN COC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1cnccn1 ZINC000002763681 570512863 /nfs/dbraw/zinc/51/28/63/570512863.db2.gz HLEZXCCHKWVJHI-UHFFFAOYSA-N 0 0 399.428 3.261 50 0 GGAARN Cc1nnc2sc(-c3ccc(CNC(=O)COc4ccc(C)cc4)cc3)nn12 ZINC000032642754 570513300 /nfs/dbraw/zinc/51/33/00/570513300.db2.gz HVYHTQZCQSMFDJ-UHFFFAOYSA-N 0 0 393.472 3.165 50 0 GGAARN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CN3CCOCC3)cc2)c1 ZINC000032744792 570513371 /nfs/dbraw/zinc/51/33/71/570513371.db2.gz PAAWZFUGLLBPSI-INIZCTEOSA-N 0 0 384.476 3.027 50 0 GGAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Cc1ccccc1 ZINC000007720745 570513430 /nfs/dbraw/zinc/51/34/30/570513430.db2.gz CJWGTEZMMVIXMJ-UHFFFAOYSA-N 0 0 381.432 3.345 50 0 GGAARN COC(=O)c1sc(NC(=O)c2cccc(C(F)(F)F)c2)c(C(N)=O)c1C ZINC000002758692 570513771 /nfs/dbraw/zinc/51/37/71/570513771.db2.gz BPTPYSHEFQODLL-UHFFFAOYSA-N 0 0 386.351 3.213 50 0 GGAARN CCCc1cc2c(nc(C)n(NC(=O)CCn3cc(Cl)c(C)n3)c2=O)s1 ZINC000002782198 570514120 /nfs/dbraw/zinc/51/41/20/570514120.db2.gz RJZYRUVXBPBYSS-UHFFFAOYSA-N 0 0 393.900 3.038 50 0 GGAARN Cn1ncc2c3nc(C4CCN(Cc5ccc(F)cc5Cl)CC4)nn3cnc21 ZINC000002800523 570516816 /nfs/dbraw/zinc/51/68/16/570516816.db2.gz 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CSc1ccc(CC(=O)N2CCC(=O)N(Cc3ccccc3F)CC2)cc1 ZINC000012202692 570625073 /nfs/dbraw/zinc/62/50/73/570625073.db2.gz RDXNULLGUHQRLJ-UHFFFAOYSA-N 0 0 386.492 3.351 50 0 GGAARN COc1cc(C)c(C)cc1S(=O)(=O)NCC[C@H](CCO)c1ccccc1 ZINC000206627356 570625850 /nfs/dbraw/zinc/62/58/50/570625850.db2.gz UXVDXADUCAYJPY-GOSISDBHSA-N 0 0 377.506 3.147 50 0 GGAARN COc1c(C)cc(S(=O)(=O)NCC[C@H](CCO)c2ccccc2)cc1C ZINC000206627459 570625904 /nfs/dbraw/zinc/62/59/04/570625904.db2.gz XHJWPAOEAFDXIB-GOSISDBHSA-N 0 0 377.506 3.147 50 0 GGAARN COc1c(C)cc(S(=O)(=O)NCC[C@@H](CCO)c2ccccc2)cc1C ZINC000206627415 570626035 /nfs/dbraw/zinc/62/60/35/570626035.db2.gz XHJWPAOEAFDXIB-SFHVURJKSA-N 0 0 377.506 3.147 50 0 GGAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000043727075 570629971 /nfs/dbraw/zinc/62/99/71/570629971.db2.gz UTBYQBHAOYJZIU-WCIQWLHISA-N 0 0 392.842 3.444 50 0 GGAARN COc1ccc(C(=O)N2C(=O)CC[C@H]2CCC(=O)OCc2ccccc2)cc1 ZINC000044125981 570632218 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COc1ccc(-c2nnsc2C(=O)NCc2ccc(OC)c(OC)c2)cc1 ZINC000036359633 570642236 /nfs/dbraw/zinc/64/22/36/570642236.db2.gz IYVYGOPFVVOVGE-UHFFFAOYSA-N 0 0 385.445 3.161 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccccc2F)ccc1=O ZINC000044920254 570643784 /nfs/dbraw/zinc/64/37/84/570643784.db2.gz QSKBNOLJUNMKRR-UHFFFAOYSA-N 0 0 387.798 3.350 50 0 GGAARN COc1cccc([C@H]2CC(=O)Nc3nc(N4CCOCC4)sc32)c1OC ZINC000036365361 570643899 /nfs/dbraw/zinc/64/38/99/570643899.db2.gz WVWSTQWQUGANGT-GFCCVEGCSA-N 0 0 375.450 3.121 50 0 GGAARN COc1ccc(CCNC(=O)c2c3cnn(C(C)C)c3nc3c2CCC3)cc1 ZINC000036366069 570644998 /nfs/dbraw/zinc/64/49/98/570644998.db2.gz SDHWOHMXATUTSZ-UHFFFAOYSA-N 0 0 378.476 3.482 50 0 GGAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1CO ZINC000036367080 570645021 /nfs/dbraw/zinc/64/50/21/570645021.db2.gz XMPWCCNLUOMFTB-CYBMUJFWSA-N 0 0 399.838 3.249 50 0 GGAARN CC[C@@H](C)[C@@H](C(=O)NCc1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000041128108 570646130 /nfs/dbraw/zinc/64/61/30/570646130.db2.gz 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CCCCOC(=O)c1ccc(NC(=O)c2c(OC)cc(=O)n3c2CCCC3)cc1 ZINC000169752879 570658067 /nfs/dbraw/zinc/65/80/67/570658067.db2.gz ZPPDDKRUMHRCDQ-UHFFFAOYSA-N 0 0 398.459 3.402 50 0 GGAARN Cc1ccc(C2=NOC3(CCN(C(=O)CSc4ccccc4)CC3)N2)cc1 ZINC000169755010 570659041 /nfs/dbraw/zinc/65/90/41/570659041.db2.gz DYRPMYSMIUFCSB-UHFFFAOYSA-N 0 0 381.501 3.387 50 0 GGAARN CN(C)c1ccc(NC(=O)COc2ccc(-c3nnc4n3CCCC4)cc2)cc1 ZINC000169755533 570659315 /nfs/dbraw/zinc/65/93/15/570659315.db2.gz VGGNUKQCRXHBIB-UHFFFAOYSA-N 0 0 391.475 3.365 50 0 GGAARN CC(C)n1c(SCC(=O)N2CCN(C)CC2)nnc1-c1cc2ccccc2o1 ZINC000048513831 570659724 /nfs/dbraw/zinc/65/97/24/570659724.db2.gz IHFDEVGUZLDWBV-UHFFFAOYSA-N 0 0 399.520 3.138 50 0 GGAARN Cn1cccc1C(=O)N[C@H]1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000169753436 570659726 /nfs/dbraw/zinc/65/97/26/570659726.db2.gz PRHFFASVHDXMLD-INIZCTEOSA-N 0 0 383.883 3.467 50 0 GGAARN CC(C)n1c(SCC(=O)N2CCOCC2)nnc1-c1cc2ccccc2o1 ZINC000048514004 570659776 /nfs/dbraw/zinc/65/97/76/570659776.db2.gz FDKCWIUMOSHTTM-UHFFFAOYSA-N 0 0 386.477 3.223 50 0 GGAARN COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4cccc(F)c4)C3)n[nH]2)cc1 ZINC000169753975 570660123 /nfs/dbraw/zinc/66/01/23/570660123.db2.gz FHKYQKMNUKNTTJ-QGZVFWFLSA-N 0 0 380.423 3.233 50 0 GGAARN CN(C)c1cccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1 ZINC000169754089 570660507 /nfs/dbraw/zinc/66/05/07/570660507.db2.gz JGHPWRGTOGGCQW-GOSISDBHSA-N 0 0 393.466 3.291 50 0 GGAARN COc1ccccc1Cn1c(=O)c(CCO)c(C)nc1-c1ccc(Cl)cc1 ZINC000169754390 570661027 /nfs/dbraw/zinc/66/10/27/570661027.db2.gz FGYYWXAQBDPWSA-UHFFFAOYSA-N 0 0 384.863 3.464 50 0 GGAARN O=C(N[C@@H]1CCN(c2cc(-c3cccs3)[nH]n2)C1)c1ccc2[nH]cnc2c1 ZINC000169754259 570661083 /nfs/dbraw/zinc/66/10/83/570661083.db2.gz WRYZDFJNUUCDMA-CYBMUJFWSA-N 0 0 378.461 3.023 50 0 GGAARN CN(C)c1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4cccs4)[nH]n3)C2)cc1 ZINC000169754197 570661100 /nfs/dbraw/zinc/66/11/00/570661100.db2.gz RDVBGSGBEDGGDL-OAHLLOKOSA-N 0 0 381.505 3.213 50 0 GGAARN CCOc1ccc(CC(=O)N2CCC3(CC2)NC(c2ccc(C)cc2)=NO3)cc1 ZINC000169754954 570661439 /nfs/dbraw/zinc/66/14/39/570661439.db2.gz CKFYQDZTLODWKW-UHFFFAOYSA-N 0 0 393.487 3.237 50 0 GGAARN CCOc1ccc([C@H]2Cn3nnc(-c4nc(-c5cccnc5)no4)c3CO2)cc1 ZINC000169758404 570662249 /nfs/dbraw/zinc/66/22/49/570662249.db2.gz LTHZSQWCFLJBME-QGZVFWFLSA-N 0 0 390.403 3.060 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(-c4nc(-c5cccc(F)c5)no4)c3CO2)cc1 ZINC000169758344 570662279 /nfs/dbraw/zinc/66/22/79/570662279.db2.gz VYXJSGXRZQTBBV-QGZVFWFLSA-N 0 0 393.378 3.414 50 0 GGAARN COc1cccc([C@@H]2Cn3nnc(-c4nc(-c5cccc(F)c5)no4)c3CO2)c1 ZINC000169758451 570662326 /nfs/dbraw/zinc/66/23/26/570662326.db2.gz HPIMUOXRDQXSFX-KRWDZBQOSA-N 0 0 393.378 3.414 50 0 GGAARN C[C@H]1CCc2nn3ccn(CC(=O)Nc4ccc(F)c(Cl)c4)c(=O)c3c2C1 ZINC000169760000 570662661 /nfs/dbraw/zinc/66/26/61/570662661.db2.gz QPRMVHLZESHRMU-NSHDSACASA-N 0 0 388.830 3.052 50 0 GGAARN O=C(Nc1ccccc1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1 ZINC000000850977 570662659 /nfs/dbraw/zinc/66/26/59/570662659.db2.gz HIFAOLBVHZADKB-WJDWOHSUSA-N 0 0 376.368 3.418 50 0 GGAARN Cc1ccc(COC(=O)C2=CN(Cc3ccccc3)S(=O)(=O)N=C2C)cc1 ZINC000169760397 570663226 /nfs/dbraw/zinc/66/32/26/570663226.db2.gz GKZZOVPAZQCXIK-UHFFFAOYSA-N 0 0 384.457 3.144 50 0 GGAARN Cc1ccc(CNC(=O)c2cc3n(n2)C[C@@H](c2ccc4c(c2)OCO4)OC3)cc1 ZINC000169759852 570663571 /nfs/dbraw/zinc/66/35/71/570663571.db2.gz DPPRATUMQFZRNY-NRFANRHFSA-N 0 0 391.427 3.122 50 0 GGAARN C[C@H](NC(=O)c1cc2n(n1)C[C@@H](c1ccc3c(c1)OCO3)OC2)c1ccccc1 ZINC000169759879 570663720 /nfs/dbraw/zinc/66/37/20/570663720.db2.gz LLSZKNGUOWTQSD-QKKBWIMNSA-N 0 0 391.427 3.374 50 0 GGAARN Cc1ccc(C(=O)C2=C3C(O)N(c4ccc(C)cc4)C(=O)[C@H]3[C@H]3CCCN23)cc1 ZINC000229886708 570667329 /nfs/dbraw/zinc/66/73/29/570667329.db2.gz TYIXOTSYIDPKQW-MHTWAQMVSA-N 0 0 388.467 3.139 50 0 GGAARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)c1 ZINC000229990085 570667854 /nfs/dbraw/zinc/66/78/54/570667854.db2.gz OJHPYDFJLAURAB-PWRODBHTSA-N 0 0 385.423 3.441 50 0 GGAARN O=C(CC[C@]1(Cc2ccco2)CCC(=O)N1)N1CC[C@H](c2ccccc2F)C1 ZINC000012450472 570668151 /nfs/dbraw/zinc/66/81/51/570668151.db2.gz OMLNPUBLQPILQR-AOMKIAJQSA-N 0 0 384.451 3.406 50 0 GGAARN O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)N1CC[C@@H](c2ccccc2F)C1 ZINC000012450463 570668245 /nfs/dbraw/zinc/66/82/45/570668245.db2.gz OMLNPUBLQPILQR-OPAMFIHVSA-N 0 0 384.451 3.406 50 0 GGAARN COc1cccc([C@@H](C)NC(=O)c2coc(COc3ccc4c(c3)OCO4)n2)c1 ZINC000012453544 570668674 /nfs/dbraw/zinc/66/86/74/570668674.db2.gz FNHFRLMPDRLBGF-CYBMUJFWSA-N 0 0 396.399 3.482 50 0 GGAARN C[C@H](NC(=O)CCn1nc(-c2ccc(F)cc2)ccc1=O)c1ccc(F)cc1 ZINC000041254604 570668901 /nfs/dbraw/zinc/66/89/01/570668901.db2.gz HBJMVELLLPIXGC-AWEZNQCLSA-N 0 0 383.398 3.456 50 0 GGAARN Cc1ccccc1N1CCN(C(=O)c2cccc(N3CCOCC3)c2)[C@H](C)C1 ZINC000230594610 570668941 /nfs/dbraw/zinc/66/89/41/570668941.db2.gz UMMCEJWLVTUQSP-LJQANCHMSA-N 0 0 379.504 3.183 50 0 GGAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1 ZINC000005614087 570669921 /nfs/dbraw/zinc/66/99/21/570669921.db2.gz CAJHTJLBHWZKHH-UHFFFAOYSA-N 0 0 375.808 3.241 50 0 GGAARN COc1ccc(C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1OC ZINC000005222372 570670806 /nfs/dbraw/zinc/67/08/06/570670806.db2.gz NDBHTQPGWASUSS-UHFFFAOYSA-N 0 0 381.428 3.344 50 0 biogenic GGAARN C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)C(c2ccccc2)=NC1(C)C ZINC000169765540 570672001 /nfs/dbraw/zinc/67/20/01/570672001.db2.gz MRBYNRVUKQITJL-QGZVFWFLSA-N 0 0 377.488 3.192 50 0 GGAARN O=C(CN1C(=O)C(c2ccccc2)=NC12CCCC2)NCc1ccc(F)cc1 ZINC000169765580 570672030 /nfs/dbraw/zinc/67/20/30/570672030.db2.gz SIDTYPGIVUDIMY-UHFFFAOYSA-N 0 0 379.435 3.044 50 0 GGAARN O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1C[C@H]2C[C@@H]1CCC2 ZINC000012473818 570673299 /nfs/dbraw/zinc/67/32/99/570673299.db2.gz ITAQELYBEWOPGR-APWZRJJASA-N 0 0 382.504 3.481 50 0 GGAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2ccc[n+]([O-])c2)CC1 ZINC000012474753 570673341 /nfs/dbraw/zinc/67/33/41/570673341.db2.gz YUPDEXXKPRWOJY-UHFFFAOYSA-N 0 0 396.487 3.128 50 0 GGAARN COC(=O)c1ccc(-c2nc(CN(CCO)Cc3cccs3)c(C)o2)cc1 ZINC000012475613 570673814 /nfs/dbraw/zinc/67/38/14/570673814.db2.gz JCMHYHXCXQKDTE-UHFFFAOYSA-N 0 0 386.473 3.493 50 0 GGAARN Cc1nnc(-c2cccc(NC(=O)C3CCN(Cc4ccon4)CC3)c2)s1 ZINC000012479401 570674429 /nfs/dbraw/zinc/67/44/29/570674429.db2.gz DNLVVNAEWWYEHP-UHFFFAOYSA-N 0 0 383.477 3.352 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(-c4noc(-c5cccc(F)c5)n4)c3CO2)cc1 ZINC000169769104 570674417 /nfs/dbraw/zinc/67/44/17/570674417.db2.gz HFWZJQLLTFSAFX-KRWDZBQOSA-N 0 0 393.378 3.414 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(-c4noc(-c5cccs5)n4)c3CO2)cc1 ZINC000169769086 570674438 /nfs/dbraw/zinc/67/44/38/570674438.db2.gz ZELRUCBNHAPZCS-AWEZNQCLSA-N 0 0 381.417 3.337 50 0 GGAARN Cc1cn2nc(C(=O)N[C@@H](C)CCc3ccccc3)cc2c(N2CCCC2)n1 ZINC000169768762 570674653 /nfs/dbraw/zinc/67/46/53/570674653.db2.gz BLYZBCHZGMQCNR-INIZCTEOSA-N 0 0 377.492 3.389 50 0 GGAARN Cc1cn2nc(C(=O)N[C@H](C)CCc3ccccc3)cc2c(N2CCCC2)n1 ZINC000169768764 570674673 /nfs/dbraw/zinc/67/46/73/570674673.db2.gz BLYZBCHZGMQCNR-MRXNPFEDSA-N 0 0 377.492 3.389 50 0 GGAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)N3CCN(C)CC3)n2)cc1 ZINC000032579159 570675155 /nfs/dbraw/zinc/67/51/55/570675155.db2.gz RAQXXYMHZDPALZ-UHFFFAOYSA-N 0 0 392.459 3.012 50 0 GGAARN COC(=O)c1ccc(NC(=O)CSc2nnc3c4ccccc4[nH]c3n2)cc1 ZINC000006879044 570675560 /nfs/dbraw/zinc/67/55/60/570675560.db2.gz JIGUJAPVQGSQPU-UHFFFAOYSA-N 0 0 393.428 3.024 50 0 GGAARN COc1ccc(CNC(=O)N[C@@H](CCSC)c2nnc3ccccn32)cc1 ZINC000043643352 570675652 /nfs/dbraw/zinc/67/56/52/570675652.db2.gz IOAHTQJZUZNHOT-INIZCTEOSA-N 0 0 385.493 3.032 50 0 GGAARN Cc1c(-c2ccnc(N3CCC(C)CC3)n2)cnc2nc(-c3ccncc3)nn21 ZINC000054201986 570676829 /nfs/dbraw/zinc/67/68/29/570676829.db2.gz NCZHSOWEQCHWRA-UHFFFAOYSA-N 0 0 386.463 3.188 50 0 GGAARN Cc1cc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2C)no1 ZINC000004341762 570676959 /nfs/dbraw/zinc/67/69/59/570676959.db2.gz LXKYJRUQCUIKSX-UHFFFAOYSA-N 0 0 394.460 3.460 50 0 GGAARN COCC(=O)Nc1cccc(NC(=O)NC2CCN(c3ccccc3)CC2)c1 ZINC000054406487 570677679 /nfs/dbraw/zinc/67/76/79/570677679.db2.gz BUDPIMMPUJDVOY-UHFFFAOYSA-N 0 0 382.464 3.062 50 0 GGAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)NCC4CC4)cc3)n2)cc1 ZINC000032579034 570678219 /nfs/dbraw/zinc/67/82/19/570678219.db2.gz ROVRHVAULZXLMZ-UHFFFAOYSA-N 0 0 379.416 3.317 50 0 GGAARN CS(=O)(=O)N1N=C(C2CC2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000032608405 570678453 /nfs/dbraw/zinc/67/84/53/570678453.db2.gz KDVZWYKJDASWBN-AWEZNQCLSA-N 0 0 393.852 3.089 50 0 GGAARN O=C(NCCc1nc(-c2ccccc2)no1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000032593740 570679453 /nfs/dbraw/zinc/67/94/53/570679453.db2.gz HUBPDBAMKQJMTB-UHFFFAOYSA-N 0 0 395.802 3.469 50 0 GGAARN CCSc1nnc(NC(=O)c2nn(-c3ccc(C)c(C)c3)ccc2=O)s1 ZINC000032594017 570679604 /nfs/dbraw/zinc/67/96/04/570679604.db2.gz XIVAGXWXIAYTOG-UHFFFAOYSA-N 0 0 387.490 3.065 50 0 GGAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccn3)[C@H]2C(=O)N1Cc1ccccc1 ZINC000238923552 570679983 /nfs/dbraw/zinc/67/99/83/570679983.db2.gz OTHFPCWDHZPLEZ-QHAWAJNXSA-N 0 0 385.423 3.128 50 0 GGAARN Cc1cc(C)c(NC(=O)CN2CCCCC2)cc1NC(=O)CN1CCCCC1 ZINC000003093294 570680321 /nfs/dbraw/zinc/68/03/21/570680321.db2.gz VHEBEHSPOITZIE-UHFFFAOYSA-N 0 0 386.540 3.152 50 0 GGAARN COC(=O)[C@]1(C)C[C@H](C(=O)NC2CCCC2)[C@H](c2ccccc2Cl)N1C ZINC000055053829 570680645 /nfs/dbraw/zinc/68/06/45/570680645.db2.gz NDBBCOHHBYAJGF-KNBMTAEXSA-N 0 0 378.900 3.323 50 0 GGAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OS(=O)(=O)c4ccccc4)c3)C(=O)[C@H]2C1 ZINC000239046924 570681253 /nfs/dbraw/zinc/68/12/53/570681253.db2.gz FZGFGVIPUOFCHL-CCKFTAQKSA-N 0 0 399.468 3.380 50 0 GGAARN COc1ccc(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)c(OC)c1 ZINC000055069651 570681453 /nfs/dbraw/zinc/68/14/53/570681453.db2.gz UYVKYJXUROPUAN-UHFFFAOYSA-N 0 0 383.492 3.081 50 0 GGAARN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)NCc1ccccc1 ZINC000055069374 570681471 /nfs/dbraw/zinc/68/14/71/570681471.db2.gz NGAJUYRZSNINOX-UHFFFAOYSA-N 0 0 377.410 3.144 50 0 GGAARN COc1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)c(OC)c1 ZINC000055062867 570681544 /nfs/dbraw/zinc/68/15/44/570681544.db2.gz SGSAYNFEIAUDOR-UHFFFAOYSA-N 0 0 389.883 3.118 50 0 GGAARN COc1cccc(C(=O)N2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c1 ZINC000055071569 570681643 /nfs/dbraw/zinc/68/16/43/570681643.db2.gz WDKABGLBZIEYFU-IBGZPJMESA-N 0 0 397.494 3.261 50 0 GGAARN COc1ccccc1C(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000055074453 570682085 /nfs/dbraw/zinc/68/20/85/570682085.db2.gz VLHJNXOGFDRDIJ-SFHVURJKSA-N 0 0 397.494 3.261 50 0 GGAARN COC(=O)[C@@H]1CCCN1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000055090978 570682591 /nfs/dbraw/zinc/68/25/91/570682591.db2.gz DVJAQGHHRYSXLQ-AWEZNQCLSA-N 0 0 378.812 3.170 50 0 GGAARN COCC(=O)Nc1ccccc1C(=O)N(Cc1ccsc1)C[C@H]1CCCO1 ZINC000055090154 570682654 /nfs/dbraw/zinc/68/26/54/570682654.db2.gz UKFYCCMJLTZOSJ-MRXNPFEDSA-N 0 0 388.489 3.154 50 0 GGAARN C[C@H]1CCCN(c2ccc(C(N)=O)cc2NC(=O)c2onc3ccccc32)C1 ZINC000055107863 570682931 /nfs/dbraw/zinc/68/29/31/570682931.db2.gz 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CC(C)n1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cn1 ZINC000055154992 570685281 /nfs/dbraw/zinc/68/52/81/570685281.db2.gz UTMFQQSJYUPDMV-OAQYLSRUSA-N 0 0 399.514 3.030 50 0 GGAARN CCCc1noc(-c2ccn3c(c2)nnc3CNC(=O)c2ccc(C)c(F)c2)n1 ZINC000169776202 570685577 /nfs/dbraw/zinc/68/55/77/570685577.db2.gz BURHQTBNUJVFAN-UHFFFAOYSA-N 0 0 394.410 3.109 50 0 GGAARN COc1ccc2c(C)c(CCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(=O)oc2c1 ZINC000015954068 570686013 /nfs/dbraw/zinc/68/60/13/570686013.db2.gz PFTLRKTYYFZVAK-MWTRTKDXSA-N 0 0 399.487 3.196 50 0 biogenic GGAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1ccc(C)cc1Cl)CCCC3 ZINC000169777255 570686029 /nfs/dbraw/zinc/68/60/29/570686029.db2.gz NTACWBKYCAPMMS-UHFFFAOYSA-N 0 0 384.867 3.443 50 0 GGAARN O=C(C1CCCC1)N1CCC[C@H](n2cc(-c3nc(-c4ccccc4)no3)nn2)C1 ZINC000169777625 570686536 /nfs/dbraw/zinc/68/65/36/570686536.db2.gz MFMWGNPBYVMVAM-KRWDZBQOSA-N 0 0 392.463 3.349 50 0 GGAARN Cc1cccc(C(=O)N2CCC[C@H](n3cc(-c4nc(C(C)C)no4)nn3)C2)c1 ZINC000169777717 570686841 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Cc1ccc(-c2ccc3nnc(CNC(=O)c4cc(F)ccc4F)n3n2)cc1 ZINC000169778426 570688320 /nfs/dbraw/zinc/68/83/20/570688320.db2.gz WNWHTFPCJQIFKU-UHFFFAOYSA-N 0 0 379.370 3.308 50 0 GGAARN O=C(Cc1ccsc1)NCc1nnc2ccc(-c3ccc(Cl)cc3)nn21 ZINC000169778488 570688728 /nfs/dbraw/zinc/68/87/28/570688728.db2.gz FQGXPVRDHQZCIO-UHFFFAOYSA-N 0 0 383.864 3.365 50 0 GGAARN CCCc1noc(-c2cn(C3CCN(C(=O)c4ccc(C)s4)CC3)nn2)n1 ZINC000169777385 570688943 /nfs/dbraw/zinc/68/89/43/570688943.db2.gz FUDVXAAYKVGZOE-UHFFFAOYSA-N 0 0 386.481 3.128 50 0 GGAARN Cc1ccsc1C(=O)N1CCC(n2cc(-c3nc(C4CC4)no3)nn2)CC1 ZINC000169777421 570689067 /nfs/dbraw/zinc/68/90/67/570689067.db2.gz UDCPPKWXJBADTM-UHFFFAOYSA-N 0 0 384.465 3.053 50 0 GGAARN Cc1cn2c(C(=O)Nc3cc(C(N)=O)ccc3N3CCC[C@@H](C)C3)csc2n1 ZINC000055255417 570689404 /nfs/dbraw/zinc/68/94/04/570689404.db2.gz CCEACURXZINVDO-GFCCVEGCSA-N 0 0 397.504 3.292 50 0 GGAARN Cc1cccc(CC(=O)N2CCC(n3cc(-c4nc(C(C)C)no4)nn3)CC2)c1 ZINC000169777511 570689525 /nfs/dbraw/zinc/68/95/25/570689525.db2.gz 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379.430 3.245 50 0 GGAARN CCOc1ccccc1-n1cc2c(c1-c1ccc(C)cc1)c(=O)n(C)c(=O)n2C ZINC000004623143 570699699 /nfs/dbraw/zinc/69/96/99/570699699.db2.gz DSHYYIBVPUOCHQ-UHFFFAOYSA-N 0 0 389.455 3.402 50 0 GGAARN Cn1c2cn(-c3ccccn3)c(-c3ccc(C(C)(C)C)cc3)c2c(=O)n(C)c1=O ZINC000004623150 570699732 /nfs/dbraw/zinc/69/97/32/570699732.db2.gz NRBAIYRWNGMKRU-UHFFFAOYSA-N 0 0 388.471 3.387 50 0 GGAARN CCN(CC)C1=N[C@@](C(=O)OC)(C(F)(F)F)N=C2Sc3ccccc3N21 ZINC000004623804 570701359 /nfs/dbraw/zinc/70/13/59/570701359.db2.gz HSGCJYNKJIVUOL-OAHLLOKOSA-N 0 0 386.399 3.098 50 0 GGAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc2[nH]c4ccccc4n23)cc1OC ZINC000004624501 570701681 /nfs/dbraw/zinc/70/16/81/570701681.db2.gz HURHKALETUXUKA-LBPRGKRZSA-N 0 0 390.399 3.079 50 0 GGAARN O=C(c1ccc(N2CC[C@H](O)C2)nc1)N1CCC(CCc2ccccc2)CC1 ZINC000020454575 570702984 /nfs/dbraw/zinc/70/29/84/570702984.db2.gz DDRHSBWCGCHSLL-NRFANRHFSA-N 0 0 379.504 3.138 50 0 GGAARN COc1ccc(NC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)cc1 ZINC000006915278 570705679 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COc1ccc(CCNC(=O)NCc2ccc([C@@H](O)c3ccco3)s2)cc1 ZINC000206688921 570717656 /nfs/dbraw/zinc/71/76/56/570717656.db2.gz XXCBUVPPTXFNNQ-IBGZPJMESA-N 0 0 386.473 3.473 50 0 GGAARN COc1ccccc1NC(=O)C(=O)NCc1ccc(C(=O)c2ccccc2)s1 ZINC000206682145 570718118 /nfs/dbraw/zinc/71/81/18/570718118.db2.gz YEUUGYPXZFSOCM-UHFFFAOYSA-N 0 0 394.452 3.243 50 0 GGAARN Cc1nc2ccc(C(=O)N3CC[C@H](S(=O)(=O)Cc4ccco4)C3)cc2s1 ZINC000206692361 570718989 /nfs/dbraw/zinc/71/89/89/570718989.db2.gz OKWOYXRERDEMFM-HNNXBMFYSA-N 0 0 390.486 3.027 50 0 GGAARN Cc1ccc(N2C[C@@H](NC(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1C ZINC000004373227 570719521 /nfs/dbraw/zinc/71/95/21/570719521.db2.gz LAAONQQNGQGYSP-SFHVURJKSA-N 0 0 390.487 3.432 50 0 GGAARN COc1ccc(N2C[C@H](NC(=O)Nc3cc(Cl)ccc3OC)CC2=O)cc1 ZINC000004373581 570719570 /nfs/dbraw/zinc/71/95/70/570719570.db2.gz ZUTCPJDBLNZDEG-CYBMUJFWSA-N 0 0 389.839 3.284 50 0 GGAARN CCOc1ccc(N2C[C@H](NC(=O)Nc3cc(C)ccc3OC)CC2=O)cc1 ZINC000004373704 570719771 /nfs/dbraw/zinc/71/97/71/570719771.db2.gz GKLXSJANRWBPID-OAHLLOKOSA-N 0 0 383.448 3.329 50 0 GGAARN O=C(NCCc1csc(-c2cccc(F)c2)n1)C(=O)Nc1cccc(F)c1 ZINC000004375508 570721209 /nfs/dbraw/zinc/72/12/09/570721209.db2.gz OJBSZIZKZINIKZ-UHFFFAOYSA-N 0 0 387.411 3.386 50 0 GGAARN CSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)C(C(=O)OC(C)C)=C(C)N2 ZINC000006952571 570721266 /nfs/dbraw/zinc/72/12/66/570721266.db2.gz CXORGVPSKLOBRP-CQSZACIVSA-N 0 0 389.452 3.414 50 0 GGAARN Cn1c(SCC(=O)c2ccc(F)cc2)ncc(C(=O)Nc2ccccc2)c1=O ZINC000004376140 570721522 /nfs/dbraw/zinc/72/15/22/570721522.db2.gz DXIAXJLVANYEOL-UHFFFAOYSA-N 0 0 397.431 3.147 50 0 GGAARN COc1ccccc1C(=O)Oc1coc(CSc2nccc(C)n2)cc1=O ZINC000004377185 570722405 /nfs/dbraw/zinc/72/24/05/570722405.db2.gz XXOYYHCTBKSSPO-UHFFFAOYSA-N 0 0 384.413 3.258 50 0 GGAARN COc1ccc(C(=O)Oc2coc(CSc3nccc(C)n3)cc2=O)cc1 ZINC000004377192 570722448 /nfs/dbraw/zinc/72/24/48/570722448.db2.gz DJVWNJGZKGYOTJ-UHFFFAOYSA-N 0 0 384.413 3.258 50 0 GGAARN C[C@@H](Oc1ccccc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O ZINC000004377311 570722917 /nfs/dbraw/zinc/72/29/17/570722917.db2.gz BUTKFWWYSVJZCO-CYBMUJFWSA-N 0 0 384.413 3.095 50 0 GGAARN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000012864299 570725158 /nfs/dbraw/zinc/72/51/58/570725158.db2.gz SJVRIUBRKRGAGG-UHFFFAOYSA-N 0 0 384.407 3.088 50 0 GGAARN O=C(CCn1cnc2ccccc2c1=O)N1CCS[C@@H](c2ccco2)CC1 ZINC000219370610 570726136 /nfs/dbraw/zinc/72/61/36/570726136.db2.gz FRJGOFCYPSYFPC-GOSISDBHSA-N 0 0 383.473 3.086 50 0 GGAARN CCOC(=O)c1sc2ncn(CC(=O)c3ccc(Cl)cc3)c(=O)c2c1C ZINC000000937692 570727650 /nfs/dbraw/zinc/72/76/50/570727650.db2.gz QATIIJDSFAYHIK-UHFFFAOYSA-N 0 0 390.848 3.479 50 0 GGAARN COc1ccccc1CNC(=O)CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000252479994 570728034 /nfs/dbraw/zinc/72/80/34/570728034.db2.gz BRIMCHLBCONLRT-QGZVFWFLSA-N 0 0 378.476 3.067 50 0 GGAARN O=C(Cc1cc2c(cc1Cl)OCCO2)NCCCn1ncc2ccccc21 ZINC000252482911 570728042 /nfs/dbraw/zinc/72/80/42/570728042.db2.gz 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ZINC000252539899 570729681 /nfs/dbraw/zinc/72/96/81/570729681.db2.gz OQPIOIOXGLIMJC-KHYOSLBOSA-N 0 0 381.407 3.020 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(F)cc1 ZINC000004393906 570729857 /nfs/dbraw/zinc/72/98/57/570729857.db2.gz DZEXYFLVAXDTJG-UHFFFAOYSA-N 0 0 392.452 3.261 50 0 GGAARN O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000252550854 570730143 /nfs/dbraw/zinc/73/01/43/570730143.db2.gz SYWILBGJLYRDHO-OZVIIMIRSA-N 0 0 390.365 3.219 50 0 GGAARN COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CN1CCOCC1 ZINC000025143117 570730577 /nfs/dbraw/zinc/73/05/77/570730577.db2.gz JXXXVSNSJVUSES-UHFFFAOYSA-N 0 0 388.489 3.089 50 0 GGAARN COc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3F)C2=O)c(OC)c1 ZINC000000938509 570730600 /nfs/dbraw/zinc/73/06/00/570730600.db2.gz XILMEPTULXOWMI-UHFFFAOYSA-N 0 0 376.771 3.279 50 0 GGAARN COC(=O)c1cccc(N2C(=O)C(Cl)=C(Nc3ccc(C(C)=O)cc3)C2=O)c1 ZINC000000938699 570730749 /nfs/dbraw/zinc/73/07/49/570730749.db2.gz WOKKEBGDWNROPK-UHFFFAOYSA-N 0 0 398.802 3.112 50 0 GGAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c[nH]c2ccccc12 ZINC000000943298 570732095 /nfs/dbraw/zinc/73/20/95/570732095.db2.gz PSTSOQZJAMHLND-FQEVSTJZSA-N 0 0 375.428 3.092 50 0 biogenic GGAARN Cc1ccc2ncc(C(=O)N[C@H](Cc3ccccc3)[C@H]3C[C@H](O)C3)c(O)c2c1 ZINC000253535027 570733674 /nfs/dbraw/zinc/73/36/74/570733674.db2.gz DVNNMAFIQJBQJX-CBGDNZLLSA-N 0 0 376.456 3.361 50 0 GGAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1ccc2ccccc2n1 ZINC000004629017 570736191 /nfs/dbraw/zinc/73/61/91/570736191.db2.gz NLOLBWMAQLLZKW-GOSISDBHSA-N 0 0 380.469 3.227 50 0 GGAARN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000006069465 570737546 /nfs/dbraw/zinc/73/75/46/570737546.db2.gz ISRPDFBEZBWBBV-UHFFFAOYSA-N 0 0 390.461 3.403 50 0 GGAARN Cc1cccc(CN2C(=O)N(c3cc(C)cc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000007005798 570738225 /nfs/dbraw/zinc/73/82/25/570738225.db2.gz CDJRKKSJUDXYSU-VQTJNVASSA-N 0 0 384.501 3.220 50 0 GGAARN CCOC(=O)[C@H](C)n1cnc2sc(C(=O)Nc3ccccc3C)c(C)c2c1=O ZINC000000958458 570738761 /nfs/dbraw/zinc/73/87/61/570738761.db2.gz HREYWDKJUCFQCP-ZDUSSCGKSA-N 0 0 399.472 3.451 50 0 GGAARN CC(C)n1nc(CC(=O)NCCn2ccc3ccccc32)c2ccccc2c1=O ZINC000072401879 570738806 /nfs/dbraw/zinc/73/88/06/570738806.db2.gz DTBNGUMCDHCYDG-UHFFFAOYSA-N 0 0 388.471 3.291 50 0 GGAARN O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NCCc1ccccc1 ZINC000000957810 570738844 /nfs/dbraw/zinc/73/88/44/570738844.db2.gz XSPPUUIVUUUNMT-UHFFFAOYSA-N 0 0 389.480 3.484 50 0 GGAARN Cc1cc(C)cc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 ZINC000000958496 570739182 /nfs/dbraw/zinc/73/91/82/570739182.db2.gz XBVCKQXFPJZTQF-LLVKDONJSA-N 0 0 382.489 3.233 50 0 GGAARN COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc12 ZINC000000959246 570739236 /nfs/dbraw/zinc/73/92/36/570739236.db2.gz BFFZGMADHXCUMZ-UHFFFAOYSA-N 0 0 384.457 3.351 50 0 GGAARN Cc1ccc(C)c(NC(=O)CC[C@H]2NC(=O)N(CCc3ccccc3)C2=O)c1 ZINC000036597305 570742377 /nfs/dbraw/zinc/74/23/77/570742377.db2.gz NDDNLZPVAUWZFR-GOSISDBHSA-N 0 0 379.460 3.390 50 0 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/nfs/dbraw/zinc/74/41/19/570744119.db2.gz RAIPZFXCYKJSFX-GOSISDBHSA-N 0 0 399.878 3.104 50 0 GGAARN O=C(N[C@@H](CO)Cc1ccccc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000036585605 570744613 /nfs/dbraw/zinc/74/46/13/570744613.db2.gz TZBCUYJBFLTDKM-OAHLLOKOSA-N 0 0 391.349 3.089 50 0 GGAARN CCOc1cccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(C)cc2)C3)c1 ZINC000097943981 570745505 /nfs/dbraw/zinc/74/55/05/570745505.db2.gz NWWNFVVQFVIPJC-HXUWFJFHSA-N 0 0 392.459 3.187 50 0 GGAARN COc1cccc(NC(=O)CC[C@@H]2NC(=O)N([C@H](C)c3ccccc3)C2=O)c1 ZINC000036589810 570745775 /nfs/dbraw/zinc/74/57/75/570745775.db2.gz CAZVOSRIXAUWMZ-KDOFPFPSSA-N 0 0 381.432 3.300 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1NC(=O)c2ccccc2NC1=O ZINC000036594859 570746224 /nfs/dbraw/zinc/74/62/24/570746224.db2.gz DKWFMHDYUFQUFZ-CQSZACIVSA-N 0 0 387.823 3.468 50 0 GGAARN CCCCCCNC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000036601546 570746647 /nfs/dbraw/zinc/74/66/47/570746647.db2.gz NCFDSTCIQOYOTG-LJQANCHMSA-N 0 0 398.507 3.312 50 0 GGAARN COc1ccc(NC(=O)CC[C@H]2NC(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000036595024 570746804 /nfs/dbraw/zinc/74/68/04/570746804.db2.gz COAONILOKNXXPT-KBXCAEBGSA-N 0 0 381.432 3.300 50 0 GGAARN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000001024842 570747102 /nfs/dbraw/zinc/74/71/02/570747102.db2.gz WFSRTZSPXCCZCS-UHFFFAOYSA-N 0 0 386.517 3.490 50 0 GGAARN O=C(NC[C@@H]1CCCN1c1nc2ccccc2o1)c1cc2ccccc2oc1=O ZINC000206771839 570750127 /nfs/dbraw/zinc/75/01/27/570750127.db2.gz LUEZSSOLARVJDT-HNNXBMFYSA-N 0 0 389.411 3.333 50 0 GGAARN O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1cc(-c2ccco2)n[nH]1 ZINC000206775458 570750142 /nfs/dbraw/zinc/75/01/42/570750142.db2.gz CFYYXQPFDFCFMN-CYBMUJFWSA-N 0 0 377.404 3.210 50 0 GGAARN O=C1OC2(CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c2ccccc21 ZINC000206770322 570750179 /nfs/dbraw/zinc/75/01/79/570750179.db2.gz APNOALFNQRYRDI-UHFFFAOYSA-N 0 0 395.839 3.330 50 0 GGAARN COc1ccc(N2C(=O)c3ccc(C(=O)Nc4cccc(O)c4)cc3C2=O)cc1 ZINC000003150573 570750898 /nfs/dbraw/zinc/75/08/98/570750898.db2.gz WABNAHYHLGAXDQ-UHFFFAOYSA-N 0 0 388.379 3.454 50 0 GGAARN Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(CCO)c3)nc2c1C ZINC000063846942 570751226 /nfs/dbraw/zinc/75/12/26/570751226.db2.gz AIDKAIFUKRDLGX-OAHLLOKOSA-N 0 0 378.476 3.332 50 0 GGAARN CCn1cc(NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)cn1 ZINC000036615993 570751601 /nfs/dbraw/zinc/75/16/01/570751601.db2.gz GYURPORZIIHNHS-UHFFFAOYSA-N 0 0 390.447 3.421 50 0 GGAARN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cc(-c2ccco2)n[nH]1 ZINC000206789054 570751867 /nfs/dbraw/zinc/75/18/67/570751867.db2.gz ALCRUMDHFSVQGK-LBPRGKRZSA-N 0 0 391.353 3.092 50 0 GGAARN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)N[C@@H](C)c3ccn(C)n3)c12 ZINC000036616253 570751925 /nfs/dbraw/zinc/75/19/25/570751925.db2.gz FBUQVXUBXOIJLI-HNNXBMFYSA-N 0 0 388.475 3.321 50 0 GGAARN Cn1ncc2c1nc(C1CC1)cc2C(=O)NCc1ccccc1N1CCCC1 ZINC000036616147 570752078 /nfs/dbraw/zinc/75/20/78/570752078.db2.gz KFCBDKFZSLPIGF-UHFFFAOYSA-N 0 0 375.476 3.376 50 0 GGAARN CCn1ccc([C@H](C)NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)n1 ZINC000036616357 570752350 /nfs/dbraw/zinc/75/23/50/570752350.db2.gz CRYWFBYFORCXDG-LBPRGKRZSA-N 0 0 378.436 3.244 50 0 GGAARN CCOC(=O)N1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000004419967 570753050 /nfs/dbraw/zinc/75/30/50/570753050.db2.gz ALPUVGKRRXBLAD-UHFFFAOYSA-N 0 0 390.443 3.211 50 0 GGAARN COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccccc1Cl ZINC000206800148 570753087 /nfs/dbraw/zinc/75/30/87/570753087.db2.gz KBXZVXQOVIMJQT-BLLLJJGKSA-N 0 0 377.799 3.314 50 0 GGAARN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)N[C@H](C)Cn3cccn3)c12 ZINC000036616724 570753427 /nfs/dbraw/zinc/75/34/27/570753427.db2.gz YBOKVFRHJZEZDL-MRXNPFEDSA-N 0 0 388.475 3.111 50 0 GGAARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)NCc3cnn(C)c3C)c12 ZINC000036616878 570753674 /nfs/dbraw/zinc/75/36/74/570753674.db2.gz ZDDNTMXMYXVBLP-UHFFFAOYSA-N 0 0 392.438 3.148 50 0 GGAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@H](C)c3cnn(C)c3C)c12 ZINC000036616823 570753850 /nfs/dbraw/zinc/75/38/50/570753850.db2.gz NZUXBBCZMZJSIQ-LLVKDONJSA-N 0 0 378.436 3.070 50 0 GGAARN Cc1ccnn1CCNC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2C ZINC000036616966 570753918 /nfs/dbraw/zinc/75/39/18/570753918.db2.gz RFCKRUBZFNETTO-UHFFFAOYSA-N 0 0 388.475 3.187 50 0 GGAARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@@H](C)c3cnn(C)c3C)c12 ZINC000036616822 570753971 /nfs/dbraw/zinc/75/39/71/570753971.db2.gz NZUXBBCZMZJSIQ-NSHDSACASA-N 0 0 378.436 3.070 50 0 GGAARN CS(=O)(=O)N1CCC(C(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000206878619 570754244 /nfs/dbraw/zinc/75/42/44/570754244.db2.gz MVWGNOGUEIHPLI-QGZVFWFLSA-N 0 0 398.956 3.108 50 0 GGAARN COc1ccc([C@H]2CCCCN(C(=O)[C@@H](CCSC)NC(C)=O)C2)cc1 ZINC000206884319 570754665 /nfs/dbraw/zinc/75/46/65/570754665.db2.gz CYOSSXUARRBTLX-PKOBYXMFSA-N 0 0 378.538 3.049 50 0 GGAARN O=C(Cc1noc2ccccc12)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000206839168 570755438 /nfs/dbraw/zinc/75/54/38/570755438.db2.gz GSTHRBUIEOJUBH-OAHLLOKOSA-N 0 0 390.399 3.046 50 0 GGAARN Cc1nc(-n2cccc2)sc1C(=O)NC[C@@H]1CCCN(c2nccs2)C1 ZINC000206835303 570755471 /nfs/dbraw/zinc/75/54/71/570755471.db2.gz GPBXYIOJDRAHOT-AWEZNQCLSA-N 0 0 387.534 3.345 50 0 GGAARN O=C(Cc1ccc(F)cc1F)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000206844578 570755735 /nfs/dbraw/zinc/75/57/35/570755735.db2.gz BSURTMJPRDTMMH-INIZCTEOSA-N 0 0 385.370 3.183 50 0 GGAARN O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)Nc1ccc2c(c1)OCO2 ZINC000206844896 570755854 /nfs/dbraw/zinc/75/58/54/570755854.db2.gz DGBQLTPUQVDFJS-HNNXBMFYSA-N 0 0 394.387 3.096 50 0 GGAARN O=C(NCc1ccc(F)cc1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000206845798 570756091 /nfs/dbraw/zinc/75/60/91/570756091.db2.gz HPNMIPARWBCKII-QGZVFWFLSA-N 0 0 382.395 3.184 50 0 GGAARN COC(=O)c1ccc(S(=O)(=O)NCc2cncc(-c3ccsc3)c2)cc1 ZINC000206950672 570756699 /nfs/dbraw/zinc/75/66/99/570756699.db2.gz SYJRMBNGACQOBA-UHFFFAOYSA-N 0 0 388.470 3.075 50 0 GGAARN O=C(CNC(=O)OCc1ccccc1)NCc1cncc(-c2ccsc2)c1 ZINC000206947886 570756787 /nfs/dbraw/zinc/75/67/87/570756787.db2.gz 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0 399.476 3.191 50 0 GGAARN CCn1ncc(-c2noc3nc(C4CC4)cc(C(=O)Nc4ccn(C)n4)c32)c1C ZINC000036619257 570761520 /nfs/dbraw/zinc/76/15/20/570761520.db2.gz YPHQVETWPGMITH-UHFFFAOYSA-N 0 0 391.435 3.278 50 0 GGAARN COc1cccc2cc(C(=O)N3CCC(Oc4cc(C)oc(=O)c4)CC3)oc21 ZINC000206971339 570762919 /nfs/dbraw/zinc/76/29/19/570762919.db2.gz HOMPMSIFAIGFLS-UHFFFAOYSA-N 0 0 383.400 3.387 50 0 GGAARN COc1cc2c(cc1OC)[C@H](NC(=O)CC1(n3cccc3)CCOCC1)CC2 ZINC000524730904 570765239 /nfs/dbraw/zinc/76/52/39/570765239.db2.gz BJWQAANKJUEYDV-GOSISDBHSA-N 0 0 384.476 3.205 50 0 biogenic GGAARN CCn1cc2c(n1)n(CCC(=O)NCc1ccc(F)cc1)c(=O)cc2C(F)F ZINC000036621389 570765335 /nfs/dbraw/zinc/76/53/35/570765335.db2.gz JSKWJEOXAQBMPM-UHFFFAOYSA-N 0 0 392.381 3.001 50 0 GGAARN O=C(C[C@H](c1ccccc1)n1cccc1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524731282 570765904 /nfs/dbraw/zinc/76/59/04/570765904.db2.gz RHKCDBIKLIOFDD-KAGYGMCKSA-N 0 0 387.483 3.275 50 0 biogenic GGAARN CCCCCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000524731922 570766940 /nfs/dbraw/zinc/76/69/40/570766940.db2.gz PBBWHBNKRLPMJJ-HXUWFJFHSA-N 0 0 377.444 3.108 50 0 biogenic GGAARN Cc1ncn(CC(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)c(=O)c1C ZINC000206995617 570767623 /nfs/dbraw/zinc/76/76/23/570767623.db2.gz ATAASKZKGXCFHH-QGZVFWFLSA-N 0 0 391.924 3.220 50 0 GGAARN Cc1cc(=O)c(OCC(=O)N[C@H]2CCCc3c4cccc(Cl)c4[nH]c32)cn1C ZINC000524732871 570768124 /nfs/dbraw/zinc/76/81/24/570768124.db2.gz VYTZGUNVOMZBQP-INIZCTEOSA-N 0 0 399.878 3.401 50 0 GGAARN Cc1cc2c(c(=O)n1C)[C@@H](c1ccccc1OCc1ccccn1)CC(=O)O2 ZINC000524732895 570768130 /nfs/dbraw/zinc/76/81/30/570768130.db2.gz YCDCBQMZJBKDOO-QGZVFWFLSA-N 0 0 376.412 3.109 50 0 GGAARN CSCC[C@H](C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1)n1cccc1 ZINC000524732611 570769977 /nfs/dbraw/zinc/76/99/77/570769977.db2.gz DPWOYCIEPDGWDB-MRXNPFEDSA-N 0 0 381.542 3.298 50 0 GGAARN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1ccccn1 ZINC000013677076 570772225 /nfs/dbraw/zinc/77/22/25/570772225.db2.gz YDCSXJGEFOSNBO-UHFFFAOYSA-N 0 0 381.457 3.121 50 0 GGAARN COc1ccccc1NC(=O)CSc1n[nH]c([C@@H]2COc3ccccc3O2)n1 ZINC000524735028 570772482 /nfs/dbraw/zinc/77/24/82/570772482.db2.gz OYOWKXHSAYDCHS-INIZCTEOSA-N 0 0 398.444 3.057 50 0 GGAARN CCNC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2CC)ccc1OC ZINC000013678107 570772542 /nfs/dbraw/zinc/77/25/42/570772542.db2.gz YZFWNHCESRMRLP-UHFFFAOYSA-N 0 0 376.478 3.117 50 0 GGAARN Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1NS(C)(=O)=O ZINC000013678750 570772689 /nfs/dbraw/zinc/77/26/89/570772689.db2.gz ZBOYLRYTRZSVTD-UHFFFAOYSA-N 0 0 386.517 3.461 50 0 GGAARN COc1ccc2c(ccn2CC(=O)N[C@H]2CCc3cc(OC)c(OC)cc32)c1 ZINC000524734050 570773220 /nfs/dbraw/zinc/77/32/20/570773220.db2.gz QWUFZXPGEYBCOJ-SFHVURJKSA-N 0 0 380.444 3.471 50 0 GGAARN Cc1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)c(C)c1 ZINC000013681184 570773505 /nfs/dbraw/zinc/77/35/05/570773505.db2.gz RFEIIYQKGHTADF-IBGZPJMESA-N 0 0 379.460 3.390 50 0 GGAARN Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)o1 ZINC000036635950 570775383 /nfs/dbraw/zinc/77/53/83/570775383.db2.gz SYZHINLQFHYRBQ-UHFFFAOYSA-N 0 0 375.388 3.395 50 0 GGAARN O=C(c1cccs1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 ZINC000022998509 570777701 /nfs/dbraw/zinc/77/77/01/570777701.db2.gz LEAPNGGOECDZBR-UHFFFAOYSA-N 0 0 391.493 3.476 50 0 GGAARN COCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1cccc(F)c1 ZINC000100873057 570778262 /nfs/dbraw/zinc/77/82/62/570778262.db2.gz DHCSEUQVUDWXTQ-QOCHGBHMSA-N 0 0 387.436 3.188 50 0 GGAARN COCCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(N(C)C)cc1 ZINC000100873178 570778308 /nfs/dbraw/zinc/77/83/08/570778308.db2.gz PJKCVRJQCGAEMO-MRCUWXFGSA-N 0 0 385.489 3.165 50 0 GGAARN COCCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccc(F)cc1 ZINC000100873056 570778558 /nfs/dbraw/zinc/77/85/58/570778558.db2.gz QPFTYCHREYEKHS-QOCHGBHMSA-N 0 0 387.436 3.188 50 0 GGAARN COC(=O)Cn1c2ccccc2s/c1=N\C(=O)c1nc2ccccc2s1 ZINC000100876274 570778907 /nfs/dbraw/zinc/77/89/07/570778907.db2.gz KCGVZQLFQUYNGL-ZZEZOPTASA-N 0 0 383.454 3.227 50 0 GGAARN CC(C)c1ccc2c(c1)s/c(=N/C(=O)CN1C(=O)c3ccccc3C1=O)n2C ZINC000100893699 570779422 /nfs/dbraw/zinc/77/94/22/570779422.db2.gz XDQFGLQQKSUYOT-QURGRASLSA-N 0 0 393.468 3.087 50 0 GGAARN CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000100915700 570780659 /nfs/dbraw/zinc/78/06/59/570780659.db2.gz OOKOBYPRXQYUTR-ZCNNSNEGSA-N 0 0 395.890 3.438 50 0 GGAARN CC(C)NC(=O)[C@H](C)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067560791 570781531 /nfs/dbraw/zinc/78/15/31/570781531.db2.gz LCHPUZIPEASAHV-ZDUSSCGKSA-N 0 0 389.883 3.215 50 0 GGAARN COc1ccccc1OCC(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 ZINC000067559481 570781672 /nfs/dbraw/zinc/78/16/72/570781672.db2.gz XIROLCIEKZDLLY-UHFFFAOYSA-N 0 0 381.407 3.000 50 0 GGAARN CC(=O)O[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@@H]2C[C@H](O)[C@@]3(C)[C@H](C(C)=O)CC[C@H]3[C@H]12 ZINC000257347225 570784927 /nfs/dbraw/zinc/78/49/27/570784927.db2.gz AQMQTKMQJVTIRC-FWOTXFSTSA-N 0 0 392.536 3.108 50 0 GGAARN Cc1ccc(Cn2c(=O)[nH]nc2C2CCN(C(=O)c3ccsc3)CC2)cc1 ZINC000169777215 570785642 /nfs/dbraw/zinc/78/56/42/570785642.db2.gz JTYMEGODCFJYJR-UHFFFAOYSA-N 0 0 382.489 3.009 50 0 GGAARN CCOc1cc(S(=O)(=O)NCc2ccc(OC)cc2)c(OCC)cc1C ZINC000170623922 570789314 /nfs/dbraw/zinc/78/93/14/570789314.db2.gz SJOLQYVAZXYILO-UHFFFAOYSA-N 0 0 379.478 3.280 50 0 GGAARN CCOC(=O)CCC(=O)N1CCC[C@H](c2nnc(Cc3ccccc3)s2)C1 ZINC000036705241 570793029 /nfs/dbraw/zinc/79/30/29/570793029.db2.gz GRNFSLCBHNDTIR-INIZCTEOSA-N 0 0 387.505 3.178 50 0 GGAARN O=C(COc1ccccc1)Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1 ZINC000036705841 570793400 /nfs/dbraw/zinc/79/34/00/570793400.db2.gz WDGQZUJAXKABEA-UHFFFAOYSA-N 0 0 386.415 3.423 50 0 GGAARN Cc1c(Cl)cccc1NC(=O)c1cn(C[C@H]2CCCO2)cc2c(=O)[nH]nc1-2 ZINC000036705894 570793618 /nfs/dbraw/zinc/79/36/18/570793618.db2.gz GZWUDAXNLLLEMD-GFCCVEGCSA-N 0 0 386.839 3.069 50 0 GGAARN Cc1ccc(Cl)cc1S(=O)(=O)NCCN1CCO[C@@H](c2ccccc2)C1 ZINC000036700188 570795160 /nfs/dbraw/zinc/79/51/60/570795160.db2.gz JUFFJJFJYIJXIU-GOSISDBHSA-N 0 0 394.924 3.000 50 0 GGAARN O=S(=O)(NCCCN1CCO[C@@H](c2ccccc2)C1)c1ccccc1Cl ZINC000036700229 570795254 /nfs/dbraw/zinc/79/52/54/570795254.db2.gz AOUOYNFGHHVANG-GOSISDBHSA-N 0 0 394.924 3.082 50 0 GGAARN O=S(=O)(NCCCN1CCO[C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000036700227 570795315 /nfs/dbraw/zinc/79/53/15/570795315.db2.gz AOUOYNFGHHVANG-SFHVURJKSA-N 0 0 394.924 3.082 50 0 GGAARN Cc1ccccc1OCC(=O)NCCCCN1CCO[C@@H](c2ccccc2)C1 ZINC000036700111 570795415 /nfs/dbraw/zinc/79/54/15/570795415.db2.gz KXDJPSNNUWOAEY-JOCHJYFZSA-N 0 0 382.504 3.344 50 0 GGAARN Cc1ccc(S(=O)(=O)NCCCN2CCO[C@H](c3ccccc3)C2)cc1C ZINC000036700261 570795451 /nfs/dbraw/zinc/79/54/51/570795451.db2.gz HUPJDXINTAHRPF-NRFANRHFSA-N 0 0 388.533 3.045 50 0 GGAARN CC(C)c1ccc(S(=O)(=O)NCCN2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036700176 570795467 /nfs/dbraw/zinc/79/54/67/570795467.db2.gz HSIFJLUUEHGPMJ-OAQYLSRUSA-N 0 0 388.533 3.162 50 0 GGAARN Cc1ccc(S(=O)(=O)NCCCCN2CCO[C@H](c3ccccc3)C2)s1 ZINC000036700417 570795824 /nfs/dbraw/zinc/79/58/24/570795824.db2.gz ZURIQPNRKMFBOF-SFHVURJKSA-N 0 0 394.562 3.189 50 0 GGAARN CCOC(=O)c1sc(NC(=O)c2ccn(C(C)C)n2)c(C(=O)OCC)c1C ZINC000036701802 570796530 /nfs/dbraw/zinc/79/65/30/570796530.db2.gz DHNKIDPZHDJMBA-UHFFFAOYSA-N 0 0 393.465 3.440 50 0 GGAARN O=C(Cn1c2ccccc2nc1-c1cnccn1)NCc1c(F)cccc1F ZINC000036708676 570797575 /nfs/dbraw/zinc/79/75/75/570797575.db2.gz LVKSCXNSGNXGDJ-UHFFFAOYSA-N 0 0 379.370 3.088 50 0 GGAARN O=C(Cn1c2ccccc2nc1-c1cnccn1)NCCc1c[nH]c2ccccc12 ZINC000036708686 570797580 /nfs/dbraw/zinc/79/75/80/570797580.db2.gz HXXPXQHNTQZWCU-UHFFFAOYSA-N 0 0 396.454 3.334 50 0 GGAARN CS(=O)(=O)N1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1 ZINC000036708841 570798016 /nfs/dbraw/zinc/79/80/16/570798016.db2.gz BBIFHRRXDVIOBG-UHFFFAOYSA-N 0 0 399.516 3.287 50 0 GGAARN COc1cc2c(cc1OC)CN(C(=O)c1cc(-c3ccc(F)cc3)nn1C)CC2 ZINC000036709868 570798858 /nfs/dbraw/zinc/79/88/58/570798858.db2.gz IPJOGSVFSNCBPU-UHFFFAOYSA-N 0 0 395.434 3.442 50 0 GGAARN O=c1n(CNc2ccc(O)cc2)c2ccccc2n1CNc1ccc(O)cc1 ZINC000005673615 570799204 /nfs/dbraw/zinc/79/92/04/570799204.db2.gz MRDKCPYNGPGPAD-UHFFFAOYSA-N 0 0 376.416 3.353 50 0 GGAARN Nn1c(SCC(=O)Nc2ccc(F)cc2Cl)nnc1-c1cccc(F)c1 ZINC000005676144 570799578 /nfs/dbraw/zinc/79/95/78/570799578.db2.gz WKPCUWYVZQPXTD-UHFFFAOYSA-N 0 0 395.822 3.321 50 0 GGAARN Nn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cccc(F)c1 ZINC000005676041 570799603 /nfs/dbraw/zinc/79/96/03/570799603.db2.gz ZGHGZNSJYVQGHV-UHFFFAOYSA-N 0 0 395.822 3.321 50 0 GGAARN O=C(c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)N1CCCCC1 ZINC000005875320 570800229 /nfs/dbraw/zinc/80/02/29/570800229.db2.gz MYTBXVZWDAJETP-UHFFFAOYSA-N 0 0 384.501 3.060 50 0 GGAARN CCOC(=O)c1csc(N2N=C(c3ccccc3)C[C@@]2(O)C(F)(F)F)n1 ZINC000004478276 570800770 /nfs/dbraw/zinc/80/07/70/570800770.db2.gz ZEQCGDOEODERSV-OAHLLOKOSA-N 0 0 385.367 3.185 50 0 GGAARN COc1ccccc1N(CC(=O)Nc1cccc2ccccc21)S(C)(=O)=O ZINC000005880620 570800949 /nfs/dbraw/zinc/80/09/49/570800949.db2.gz BNPNCRWJACZXQH-UHFFFAOYSA-N 0 0 384.457 3.253 50 0 GGAARN O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)Nc1cccc(F)c1 ZINC000004479115 570801208 /nfs/dbraw/zinc/80/12/08/570801208.db2.gz JAMZODCTIQVQCA-UHFFFAOYSA-N 0 0 397.797 3.013 50 0 GGAARN Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3C)c2=O)c(C)c1 ZINC000004479015 570801217 /nfs/dbraw/zinc/80/12/17/570801217.db2.gz GIRCLYQCFLOXLC-UHFFFAOYSA-N 0 0 387.443 3.146 50 0 GGAARN Cc1cc(C)cc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3C)c2=O)c1 ZINC000004479016 570801248 /nfs/dbraw/zinc/80/12/48/570801248.db2.gz XZYHTBDKGOYAFL-UHFFFAOYSA-N 0 0 387.443 3.146 50 0 GGAARN COc1ccc2c(C(=O)CN3CCN(Cc4ccccc4OC)CC3)c[nH]c2c1 ZINC000097954815 570801835 /nfs/dbraw/zinc/80/18/35/570801835.db2.gz DAKMLTPFVLHKSH-UHFFFAOYSA-N 0 0 393.487 3.186 50 0 GGAARN O=C(NCc1nnc2cc(C(F)(F)F)ccn21)NCc1ccc(Cl)cc1 ZINC000238824697 570802027 /nfs/dbraw/zinc/80/20/27/570802027.db2.gz DLQJHEUUAUYMMH-UHFFFAOYSA-N 0 0 383.761 3.401 50 0 GGAARN Cc1noc([C@@H]2CN(C(=O)Cc3noc4ccccc43)C[C@H]2c2ccccc2)n1 ZINC000238822015 570802090 /nfs/dbraw/zinc/80/20/90/570802090.db2.gz 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COc1ccc(C2(C(=O)Nc3nnc([C@H]4CCCO4)s3)CCOCC2)cc1 ZINC000071288206 570889266 /nfs/dbraw/zinc/88/92/66/570889266.db2.gz MQQIPAPRNCYDGI-OAHLLOKOSA-N 0 0 389.477 3.085 50 0 GGAARN CCS(=O)(=O)N(CC(=O)Nc1ccc(C)c(C)c1)c1ccc(OC)cc1 ZINC000005718936 570891590 /nfs/dbraw/zinc/89/15/90/570891590.db2.gz QVNLEXIGQXKBFR-UHFFFAOYSA-N 0 0 376.478 3.107 50 0 GGAARN COc1cccc(-c2ccc(NC(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)cc2)c1 ZINC000299756895 570891897 /nfs/dbraw/zinc/89/18/97/570891897.db2.gz IOBXTSSOESDTFC-HNNXBMFYSA-N 0 0 379.460 3.495 50 0 GGAARN COc1cc2c(cc1CNC(=O)c1ccc([C@@H]3CCCO3)s1)OCCO2 ZINC000299761267 570892184 /nfs/dbraw/zinc/89/21/84/570892184.db2.gz IERLIKZUKXWIHI-ZDUSSCGKSA-N 0 0 375.446 3.309 50 0 GGAARN COc1ccc(N2C(=O)CN(Cc3coc4ccccc4c3=O)CC2(C)C)cc1 ZINC000299759701 570892198 /nfs/dbraw/zinc/89/21/98/570892198.db2.gz OGANMCIZQVORBR-UHFFFAOYSA-N 0 0 392.455 3.429 50 0 GGAARN CC(C)Oc1ccc(N2C[C@H](C(=O)N(C)C3CCSCC3)CC2=O)cc1 ZINC000299760473 570892398 /nfs/dbraw/zinc/89/23/98/570892398.db2.gz 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CN1CCN(c2nc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3s2)CC1 ZINC000023135866 570916001 /nfs/dbraw/zinc/91/60/01/570916001.db2.gz PKYLEDWLTWKNJE-UHFFFAOYSA-N 0 0 396.472 3.029 50 0 GGAARN CCc1cc(CN(C)C(=O)N[C@H](C)c2cnn(-c3ccccc3OC)c2)on1 ZINC000534656729 570916046 /nfs/dbraw/zinc/91/60/46/570916046.db2.gz XFDUONKLDHJRTB-CQSZACIVSA-N 0 0 383.452 3.334 50 0 GGAARN COc1ccc(Cn2cc(-c3cccc(C(=O)N[C@@H]4CCOC4)c3)cn2)cc1 ZINC000534658959 570916359 /nfs/dbraw/zinc/91/63/59/570916359.db2.gz XKOYOKOFQVAUEE-HXUWFJFHSA-N 0 0 377.444 3.126 50 0 GGAARN CCc1cc(-c2ccc(C(=O)NCc3nc(CSC)no3)cc2)nc(C)n1 ZINC000534660294 570916832 /nfs/dbraw/zinc/91/68/32/570916832.db2.gz YYDKNNVELRCXFD-UHFFFAOYSA-N 0 0 383.477 3.190 50 0 GGAARN CCn1ncc(-c2cccc(C(=O)N3CCN(c4ccccc4)C(=O)C3)c2)c1C ZINC000534647366 570917295 /nfs/dbraw/zinc/91/72/95/570917295.db2.gz ZBAVGLYUFOVJIB-UHFFFAOYSA-N 0 0 388.471 3.367 50 0 GGAARN CN(Cc1ncc[nH]1)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000534649159 570917390 /nfs/dbraw/zinc/91/73/90/570917390.db2.gz SBBOZYGVDFWBNI-KRWDZBQOSA-N 0 0 375.904 3.432 50 0 GGAARN Cc1c(OCC(=O)NCCc2ccc(O)cc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000263586532 570917680 /nfs/dbraw/zinc/91/76/80/570917680.db2.gz VIMOIBCPBZGIJX-UHFFFAOYSA-N 0 0 393.439 3.033 50 0 biogenic GGAARN CCOCCn1ccc2c(OCC(=O)Nc3ccc(F)cc3)cccc2c1=O ZINC000004584404 570918201 /nfs/dbraw/zinc/91/82/01/570918201.db2.gz ZUBBDWWGFFVYAM-UHFFFAOYSA-N 0 0 384.407 3.195 50 0 GGAARN COc1ccc(-c2ccc(N3CCC(C(=O)Nc4cccnc4)CC3)nn2)cc1 ZINC000023143152 570918524 /nfs/dbraw/zinc/91/85/24/570918524.db2.gz KEMQSVQPBATOHY-UHFFFAOYSA-N 0 0 389.459 3.402 50 0 GGAARN COc1ccc(C)cc1S(=O)(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000023143559 570918848 /nfs/dbraw/zinc/91/88/48/570918848.db2.gz HPXWUFPGWIZPRA-UHFFFAOYSA-N 0 0 389.395 3.380 50 0 GGAARN CCOc1ccc(OCCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000023143617 570918912 /nfs/dbraw/zinc/91/89/12/570918912.db2.gz IROYRADXVJWVMH-UHFFFAOYSA-N 0 0 375.490 3.321 50 0 GGAARN Nn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccco1 ZINC000004585978 570919215 /nfs/dbraw/zinc/91/92/15/570919215.db2.gz CDYJAEIEHMYBHC-UHFFFAOYSA-N 0 0 383.355 3.002 50 0 GGAARN O=C(CSc1nnc(-c2ccncc2)n1-n1cccc1)Nc1ccccc1 ZINC000004586021 570919253 /nfs/dbraw/zinc/91/92/53/570919253.db2.gz JIGDVBBKPMLKRB-UHFFFAOYSA-N 0 0 376.445 3.184 50 0 GGAARN Cc1c[nH]c([C@@H](C)NC(=O)N2CCCN(c3nc4ccccc4s3)CC2)n1 ZINC000534666176 570919415 /nfs/dbraw/zinc/91/94/15/570919415.db2.gz GVCVWRQEWNBBRM-CQSZACIVSA-N 0 0 384.509 3.311 50 0 GGAARN Cc1cccc2oc(CNC(=O)N(Cc3ccccn3)C[C@H]3CCCO3)nc21 ZINC000534665482 570919479 /nfs/dbraw/zinc/91/94/79/570919479.db2.gz VJMKACMTDSILCN-QGZVFWFLSA-N 0 0 380.448 3.422 50 0 GGAARN Cc1cccc2oc(CNC(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)nc21 ZINC000534665481 570919502 /nfs/dbraw/zinc/91/95/02/570919502.db2.gz VJMKACMTDSILCN-KRWDZBQOSA-N 0 0 380.448 3.422 50 0 GGAARN CNc1ccc(-c2ccc(C(=O)N(C)[C@@H](C)Cc3cc(C)ccn3)cc2)nn1 ZINC000534670819 570920750 /nfs/dbraw/zinc/92/07/50/570920750.db2.gz BPDPAVGECRBFOV-INIZCTEOSA-N 0 0 375.476 3.014 50 0 GGAARN CC(C)[C@@H](NC(=O)N1CCN(c2nc3ccccc3o2)CC1)c1cccnc1 ZINC000534671667 570920866 /nfs/dbraw/zinc/92/08/66/570920866.db2.gz GMZOGFNYGGDQOH-LJQANCHMSA-N 0 0 379.464 3.452 50 0 GGAARN CNc1ccc(-c2cccc(C(=O)N3CCCC[C@@H]3c3nccs3)c2)nn1 ZINC000534675234 570920941 /nfs/dbraw/zinc/92/09/41/570920941.db2.gz NIZWCVMFGVZJGT-QGZVFWFLSA-N 0 0 379.489 3.431 50 0 GGAARN Cc1cccnc1NCCNC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000534673035 570921232 /nfs/dbraw/zinc/92/12/32/570921232.db2.gz SOQDPYWLROPKOF-INIZCTEOSA-N 0 0 378.480 3.267 50 0 GGAARN Cc1cccnc1NCCNC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000534673036 570921373 /nfs/dbraw/zinc/92/13/73/570921373.db2.gz SOQDPYWLROPKOF-MRXNPFEDSA-N 0 0 378.480 3.267 50 0 GGAARN CCCOc1ccccc1CNC(=O)N(C)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000534673879 570921579 /nfs/dbraw/zinc/92/15/79/570921579.db2.gz NWLGROGBOUSGDP-KRWDZBQOSA-N 0 0 387.524 3.408 50 0 GGAARN Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1cccc(C)c1C ZINC000016981171 570921877 /nfs/dbraw/zinc/92/18/77/570921877.db2.gz OXNNRCWNGYSLIH-UHFFFAOYSA-N 0 0 393.491 3.377 50 0 GGAARN Cc1cc(C)n([C@@H]2CCN(C(=O)NCc3nc(-c4ccccc4C)no3)C2)n1 ZINC000534661932 570922163 /nfs/dbraw/zinc/92/21/63/570922163.db2.gz BNQJJRRKLVKNQS-MRXNPFEDSA-N 0 0 380.452 3.015 50 0 GGAARN O=C(NCCCSc1ccccc1)N1CCCN(Cc2cccnc2)CC1 ZINC000534663977 570922573 /nfs/dbraw/zinc/92/25/73/570922573.db2.gz IFTPZWYGMWQCOZ-UHFFFAOYSA-N 0 0 384.549 3.481 50 0 GGAARN Cc1nccn1CC1(CNC(=O)N(C)Cc2cc(-c3ccccc3)on2)CC1 ZINC000534664001 570922675 /nfs/dbraw/zinc/92/26/75/570922675.db2.gz SIQMBZZXDADZIV-UHFFFAOYSA-N 0 0 379.464 3.468 50 0 GGAARN COc1ccc(Cn2c(CCC(=O)NCc3ccco3)nc3cccnc32)cc1 ZINC000004034670 570923045 /nfs/dbraw/zinc/92/30/45/570923045.db2.gz YLWMKFSHPQVQLE-UHFFFAOYSA-N 0 0 390.443 3.330 50 0 GGAARN CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccc(F)c1 ZINC000004036032 570923436 /nfs/dbraw/zinc/92/34/36/570923436.db2.gz JQDVYQDVPNTPDG-GOSISDBHSA-N 0 0 389.452 3.285 50 0 GGAARN CC(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1 ZINC000004036058 570923582 /nfs/dbraw/zinc/92/35/82/570923582.db2.gz RPOPAFRJZIKTAQ-LJQANCHMSA-N 0 0 385.489 3.392 50 0 GGAARN COc1cc(OC)c(CCC(=O)NC[C@@H]2CCCN2c2ccccc2)c(OC)c1 ZINC000207989706 570923593 /nfs/dbraw/zinc/92/35/93/570923593.db2.gz BLEGYYDBVQZOHT-SFHVURJKSA-N 0 0 398.503 3.430 50 0 GGAARN CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1F ZINC000004036023 570923654 /nfs/dbraw/zinc/92/36/54/570923654.db2.gz RPVWOYCVAPKQJH-GOSISDBHSA-N 0 0 389.452 3.285 50 0 GGAARN CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc(F)c1 ZINC000004036131 570923908 /nfs/dbraw/zinc/92/39/08/570923908.db2.gz YQQSJHKKLJJWGS-SFHVURJKSA-N 0 0 389.452 3.285 50 0 GGAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 ZINC000004045021 570924503 /nfs/dbraw/zinc/92/45/03/570924503.db2.gz XLKCELMMAGMGOO-MAUKXSAKSA-N 0 0 388.782 3.278 50 0 biogenic GGAARN Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)/C=C\c3ccc4c(c3)OCO4)cc12 ZINC000017026707 570924728 /nfs/dbraw/zinc/92/47/28/570924728.db2.gz NABFZTSPEOKEPK-VURMDHGXSA-N 0 0 390.439 3.246 50 0 GGAARN Cc1nnc(COc2cccc3c2ccn3S(=O)(=O)c2ccc(C)cc2)o1 ZINC000004050232 570925346 /nfs/dbraw/zinc/92/53/46/570925346.db2.gz YIKQIAWNNYBIJI-UHFFFAOYSA-N 0 0 383.429 3.457 50 0 GGAARN Cc1ccc(NC(=O)c2cccnc2Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000004051173 570925575 /nfs/dbraw/zinc/92/55/75/570925575.db2.gz NZOVEVBZXWRLBM-UHFFFAOYSA-N 0 0 382.445 3.033 50 0 GGAARN COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1CC(=O)NCc1ccco1 ZINC000004062220 570927708 /nfs/dbraw/zinc/92/77/08/570927708.db2.gz FRVRXELKQYUMKV-VJBMBRPKSA-N 0 0 398.503 3.273 50 0 biogenic GGAARN COc1ccc2c(C)c(CCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(=O)oc2c1 ZINC000004073141 570929847 /nfs/dbraw/zinc/92/98/47/570929847.db2.gz PFTLRKTYYFZVAK-HJPURHCSSA-N 0 0 399.487 3.196 50 0 biogenic GGAARN COc1cccc(-n2c(C)nn(-c3ncc(C(F)(F)F)cc3Cl)c2=O)c1 ZINC000004072895 570929865 /nfs/dbraw/zinc/92/98/65/570929865.db2.gz VCUQHMKDESOWIL-UHFFFAOYSA-N 0 0 384.745 3.407 50 0 GGAARN CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000000793155 570929943 /nfs/dbraw/zinc/92/99/43/570929943.db2.gz HMZKLMHTAKCOFT-INIZCTEOSA-N 0 0 388.489 3.125 50 0 GGAARN CC(C)c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)s1 ZINC000001506502 570932310 /nfs/dbraw/zinc/93/23/10/570932310.db2.gz OJWKCCBPEHEIFH-UHFFFAOYSA-N 0 0 394.522 3.088 50 0 GGAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(F)c2)CS(=O)(=O)C3)cc1 ZINC000004088645 570932838 /nfs/dbraw/zinc/93/28/38/570932838.db2.gz XLHJRXOGXAVSHO-UHFFFAOYSA-N 0 0 385.420 3.001 50 0 GGAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2)c1ccccc1 ZINC000004088658 570932888 /nfs/dbraw/zinc/93/28/88/570932888.db2.gz PDKDXCLNKCKSBW-UHFFFAOYSA-N 0 0 387.848 3.206 50 0 GGAARN COc1ccc(C2(C(=O)N3CCN(c4ccccc4)CC3)CCOCC2)cc1 ZINC000016985504 570936635 /nfs/dbraw/zinc/93/66/35/570936635.db2.gz MTSYSVVTXJRCLW-UHFFFAOYSA-N 0 0 380.488 3.092 50 0 GGAARN COc1ccccc1N1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 ZINC000016985291 570936654 /nfs/dbraw/zinc/93/66/54/570936654.db2.gz NEYWBLBTGAWFDL-UHFFFAOYSA-N 0 0 380.488 3.092 50 0 GGAARN CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)c1 ZINC000006680460 570938181 /nfs/dbraw/zinc/93/81/81/570938181.db2.gz YNMKAURJLGDZDE-UHFFFAOYSA-N 0 0 392.502 3.378 50 0 GGAARN O=C(CCc1ccc(NC(=O)c2ccc(-n3cnnc3)cc2)cc1)N1CCCC1 ZINC000006709861 570938609 /nfs/dbraw/zinc/93/86/09/570938609.db2.gz NMVZHJWPBOCOLN-UHFFFAOYSA-N 0 0 389.459 3.075 50 0 GGAARN O=C(NC1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000006703609 570938785 /nfs/dbraw/zinc/93/87/85/570938785.db2.gz HUFTVVUUOPMAGQ-GOSISDBHSA-N 0 0 386.517 3.299 50 0 GGAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)NC[C@H]1CCCO1 ZINC000002094686 570940782 /nfs/dbraw/zinc/94/07/82/570940782.db2.gz WLWIUTBUEKNDSI-QGZVFWFLSA-N 0 0 379.412 3.134 50 0 biogenic GGAARN CCOC(=O)c1ccccc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000002094678 570940940 /nfs/dbraw/zinc/94/09/40/570940940.db2.gz BZBYDMVDEXFKEL-UHFFFAOYSA-N 0 0 381.384 3.296 50 0 biogenic GGAARN Cc1cc(=O)oc2cc(OCC(=O)NCCc3c[nH]c4ccccc34)ccc12 ZINC000002095271 570941372 /nfs/dbraw/zinc/94/13/72/570941372.db2.gz JQLOOUWXMJPBEC-UHFFFAOYSA-N 0 0 376.412 3.320 50 0 biogenic GGAARN CC(=O)C[C@@]1(O)c2ccccc2N(CCOc2cccc3ccccc32)C1=O ZINC000004987823 570944574 /nfs/dbraw/zinc/94/45/74/570944574.db2.gz RFXHSMITZVIMKF-HSZRJFAPSA-N 0 0 375.424 3.432 50 0 GGAARN CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000020272013 570945374 /nfs/dbraw/zinc/94/53/74/570945374.db2.gz BMQRIQVPOZIQGS-UHFFFAOYSA-N 0 0 395.503 3.157 50 0 GGAARN CC[C@@H](C)[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000047174008 570945798 /nfs/dbraw/zinc/94/57/98/570945798.db2.gz VCBKCQDCBJLPFR-JLTOFOAXSA-N 0 0 389.459 3.176 50 0 GGAARN CC[C@H]1c2ccsc2CCN1C(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O ZINC000127326500 570946590 /nfs/dbraw/zinc/94/65/90/570946590.db2.gz GZVUJTROTCLKKB-INIZCTEOSA-N 0 0 398.532 3.409 50 0 GGAARN CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000000828467 570946745 /nfs/dbraw/zinc/94/67/45/570946745.db2.gz ORBMRVPKVAGCQD-GOSISDBHSA-N 0 0 376.453 3.311 50 0 GGAARN COCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@H]1c1ccccc1 ZINC000004732757 570947193 /nfs/dbraw/zinc/94/71/93/570947193.db2.gz QZYVBIABSZFIRZ-OALUTQOASA-N 0 0 378.432 3.001 50 0 GGAARN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cnccn1 ZINC000002379288 570947394 /nfs/dbraw/zinc/94/73/94/570947394.db2.gz QUGRRGNBXDACPV-UHFFFAOYSA-N 0 0 382.493 3.411 50 0 GGAARN COc1cc(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc(OC)c1OC ZINC000005440644 570947542 /nfs/dbraw/zinc/94/75/42/570947542.db2.gz ACYAVBDGTFRMIN-UHFFFAOYSA-N 0 0 384.432 3.400 50 0 GGAARN COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CCC[C@H](C)C2)c1 ZINC000100822437 570949407 /nfs/dbraw/zinc/94/94/07/570949407.db2.gz ZOPNPNYOWMMOBA-HGQUKEQDSA-N 0 0 388.464 3.454 50 0 GGAARN COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@H](C)C2)c1 ZINC000100822440 570949466 /nfs/dbraw/zinc/94/94/66/570949466.db2.gz ZOPNPNYOWMMOBA-ODYMNIRHSA-N 0 0 388.464 3.454 50 0 GGAARN Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000002109608 570949807 /nfs/dbraw/zinc/94/98/07/570949807.db2.gz QLSQIRLUTZBLDK-SEPYTNNBSA-N 0 0 399.487 3.331 50 0 biogenic GGAARN COc1ccc2c(C)c(CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(=O)oc2c1C ZINC000002109772 570949850 /nfs/dbraw/zinc/94/98/50/570949850.db2.gz SVFILLKMUZNIAA-WAIKUNEKSA-N 0 0 399.487 3.115 50 0 biogenic GGAARN C[C@@H]1OC2(O[C@H]1C)c1ccccc1N(S(=O)(=O)c1ccccc1Cl)C2=O ZINC000004105299 570950110 /nfs/dbraw/zinc/95/01/10/570950110.db2.gz GWSPAIJIRZNJCU-RYUDHWBXSA-N 0 0 393.848 3.052 50 0 GGAARN COc1cccc(-c2nnc(SCC(=O)c3ccc(OC)c(OC)c3)n2C)c1 ZINC000004736334 570950520 /nfs/dbraw/zinc/95/05/20/570950520.db2.gz FAMKUGRQQSOYJT-UHFFFAOYSA-N 0 0 399.472 3.483 50 0 GGAARN CCc1cc(=O)oc2c(C)c(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000002112059 570950745 /nfs/dbraw/zinc/95/07/45/570950745.db2.gz ZKWQFTDBSVJWBJ-UZUQRXQVSA-N 0 0 399.487 3.196 50 0 biogenic GGAARN Cn1c(SCC(=O)Nc2nnc(C3CC3)s2)nnc1-c1cccc(F)c1 ZINC000004736267 570950839 /nfs/dbraw/zinc/95/08/39/570950839.db2.gz FJEPCBXWBGJMGW-UHFFFAOYSA-N 0 0 390.469 3.081 50 0 GGAARN CCOC(=O)Cn1nc(C)c2c1nc(-c1cnn(CC)c1)cc2C(F)(F)F ZINC000020605202 570951547 /nfs/dbraw/zinc/95/15/47/570951547.db2.gz DYXRRWRJZAHWHO-UHFFFAOYSA-N 0 0 381.358 3.205 50 0 GGAARN COC(=O)Cn1nc(C)c2c1nc(-c1ccc3c(c1)OCO3)cc2C(F)F ZINC000020603051 570951589 /nfs/dbraw/zinc/95/15/89/570951589.db2.gz KBSQWONJJQPPTE-UHFFFAOYSA-N 0 0 375.331 3.246 50 0 GGAARN COc1ccc2c(c1)NC1=COC(=O)C1[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000045495675 570951871 /nfs/dbraw/zinc/95/18/71/570951871.db2.gz HJYWTNKSSXJHQY-SFHVURJKSA-N 0 0 383.400 3.089 50 0 GGAARN Cn1cc(C(=O)Nc2ccc(F)cc2F)c(C(=O)Nc2ccc(F)cc2F)n1 ZINC000020616743 570951952 /nfs/dbraw/zinc/95/19/52/570951952.db2.gz XAKVOVKABNVKGM-UHFFFAOYSA-N 0 0 392.312 3.481 50 0 GGAARN CCn1nccc1CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000020608082 570952003 /nfs/dbraw/zinc/95/20/03/570952003.db2.gz SUAZTIIEAPSWKS-UHFFFAOYSA-N 0 0 399.516 3.345 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4cccc(F)c4C)c3CO2)cc1 ZINC000263615162 570952697 /nfs/dbraw/zinc/95/26/97/570952697.db2.gz AXTRHAFOBZGCKI-GOSISDBHSA-N 0 0 382.395 3.258 50 0 GGAARN CC(C)NC(=O)N(O)[C@H]1N(C(C)C)C(=O)N(Cc2ccc(F)cc2)C1(C)C ZINC000001279109 570952735 /nfs/dbraw/zinc/95/27/35/570952735.db2.gz GKLXRIKSVYZZIJ-MRXNPFEDSA-N 0 0 380.464 3.386 50 0 GGAARN CCOc1ccc([C@@H](O)Cn2ccn3nc(-c4cccs4)cc3c2=O)cc1 ZINC000263615272 570952897 /nfs/dbraw/zinc/95/28/97/570952897.db2.gz BNQLGWKTETURQA-SFHVURJKSA-N 0 0 381.457 3.357 50 0 GGAARN C[C@H](CCc1ccccc1)NC(=O)c1nnn2cc(-c3ccccc3)[nH]c(=O)c12 ZINC000263615251 570953013 /nfs/dbraw/zinc/95/30/13/570953013.db2.gz BJVRJVMDXDHZNC-OAHLLOKOSA-N 0 0 387.443 3.248 50 0 GGAARN CCOC(=O)c1c(NC(=S)NC)sc2c1CCN(Cc1ccccc1)C2 ZINC000096517695 570953278 /nfs/dbraw/zinc/95/32/78/570953278.db2.gz IEJSXAJFQDSJID-UHFFFAOYSA-N 0 0 389.546 3.399 50 0 GGAARN Cc1ccc(NC(=O)C[C@@H](C)CC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000004739933 570953852 /nfs/dbraw/zinc/95/38/52/570953852.db2.gz AWXUFRDTNZOQAT-GOSISDBHSA-N 0 0 380.492 3.094 50 0 GGAARN O=c1c2c(CO)c(-c3cccc(F)c3)nn2ccn1Cc1ccc(F)c(F)c1 ZINC000263616097 570954495 /nfs/dbraw/zinc/95/44/95/570954495.db2.gz GZOORIZVLQWKPN-UHFFFAOYSA-N 0 0 385.345 3.121 50 0 GGAARN O=C1N[C@H](c2cccc(Cl)c2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000001295762 570956130 /nfs/dbraw/zinc/95/61/30/570956130.db2.gz DXEIDRUWAJRMAR-VBQJREDUSA-N 0 0 398.768 3.444 50 0 GGAARN C[C@H](Oc1ccccc1)c1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C ZINC000004741864 570956501 /nfs/dbraw/zinc/95/65/01/570956501.db2.gz RJVYJPWUWBTXKF-ZDUSSCGKSA-N 0 0 393.472 3.484 50 0 GGAARN Cc1cc2ncc(CCCNC(=O)c3ccc(OC(F)(F)F)cc3)cn2n1 ZINC000207994856 570956673 /nfs/dbraw/zinc/95/66/73/570956673.db2.gz GXGOQYKGQCLCIB-UHFFFAOYSA-N 0 0 378.354 3.299 50 0 GGAARN COc1cccc(CNC(=O)CCc2c(C)c3ccc(O)c(C)c3oc2=O)c1 ZINC000004743386 570957311 /nfs/dbraw/zinc/95/73/11/570957311.db2.gz KBFHANQVNVZLEB-UHFFFAOYSA-N 0 0 381.428 3.373 50 0 biogenic GGAARN COc1cc(C)cc2oc(=O)c(CC(=O)NCc3ccc4c(c3)OCO4)c(C)c12 ZINC000004743207 570957333 /nfs/dbraw/zinc/95/73/33/570957333.db2.gz NZFSDEILROPAMO-UHFFFAOYSA-N 0 0 395.411 3.006 50 0 GGAARN COc1ccccc1CNC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O ZINC000004743382 570957364 /nfs/dbraw/zinc/95/73/64/570957364.db2.gz LCNXSDNEIBVSFJ-UHFFFAOYSA-N 0 0 381.428 3.373 50 0 GGAARN COc1cc(OC)c2c(C)c(CC(=O)NCCc3ccccc3)c(=O)oc2c1 ZINC000004743167 570957426 /nfs/dbraw/zinc/95/74/26/570957426.db2.gz NINVXAARXNQVHR-UHFFFAOYSA-N 0 0 381.428 3.020 50 0 biogenic GGAARN COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)c1ccc(C(C)=O)cc1)CC2 ZINC000002125400 570957651 /nfs/dbraw/zinc/95/76/51/570957651.db2.gz DMRDBNJHVPHNMP-CYBMUJFWSA-N 0 0 389.473 3.214 50 0 GGAARN O=C(NCc1ccncc1)[C@@H]1CCCN(c2ncnc3c4ccccc4oc32)C1 ZINC000033290527 570958630 /nfs/dbraw/zinc/95/86/30/570958630.db2.gz NXSCFLFMRNPYOG-MRXNPFEDSA-N 0 0 387.443 3.304 50 0 GGAARN COc1ccc(C(=O)Oc2ccc3c(C)c(C[C@@H](C)O)c(=O)oc3c2)cc1OC ZINC000001322849 570958861 /nfs/dbraw/zinc/95/88/61/570958861.db2.gz GJFJBPDZCRVFCQ-GFCCVEGCSA-N 0 0 398.411 3.261 50 0 biogenic GGAARN COc1ccc(CCNC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)cc1 ZINC000004743698 570959567 /nfs/dbraw/zinc/95/95/67/570959567.db2.gz DZMNKEKLWPLBKF-UHFFFAOYSA-N 0 0 395.455 3.410 50 0 GGAARN COc1ccc(OC)c([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(OC)nn2)c1 ZINC000032100172 570959651 /nfs/dbraw/zinc/95/96/51/570959651.db2.gz KIIYKCXFIVFGLM-CQSZACIVSA-N 0 0 395.419 3.120 50 0 GGAARN COc1cc2c(cc1OC)-c1c(c(C(=O)NC3CC3)nn1-c1ccccc1F)C2 ZINC000032101035 570959698 /nfs/dbraw/zinc/95/96/98/570959698.db2.gz RFOJZIRQYBLIHX-UHFFFAOYSA-N 0 0 393.418 3.492 50 0 GGAARN FC(F)(F)C1(C(F)(F)F)N=C(Cc2ccccc2)OC(N2CCOCC2)=N1 ZINC000004126804 570959991 /nfs/dbraw/zinc/95/99/91/570959991.db2.gz LIYPXWWTZXAENH-UHFFFAOYSA-N 0 0 395.303 3.167 50 0 GGAARN C[C@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1ccccc1 ZINC000004745529 570960366 /nfs/dbraw/zinc/96/03/66/570960366.db2.gz NWKSLLSPVKUELD-HNNXBMFYSA-N 0 0 394.500 3.188 50 0 GGAARN CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc4oc(=O)ccc4c3)cc2C1=O ZINC000032104081 570960631 /nfs/dbraw/zinc/96/06/31/570960631.db2.gz JWPAFOOPQJOOCX-UHFFFAOYSA-N 0 0 390.395 3.297 50 0 GGAARN Cc1ccc(/C=C/C(=O)N(CCc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004749884 570961756 /nfs/dbraw/zinc/96/17/56/570961756.db2.gz NGZBWQYUUFDQIN-VIOKTNGOSA-N 0 0 383.513 3.267 50 0 GGAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N[C@@H](C)c3ccccc3)nn1C)C2 ZINC000032123794 570963357 /nfs/dbraw/zinc/96/33/57/570963357.db2.gz IVSPARFDJFVDOW-ZDUSSCGKSA-N 0 0 377.444 3.500 50 0 biogenic GGAARN NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1 ZINC000003814698 570963647 /nfs/dbraw/zinc/96/36/47/570963647.db2.gz TTZNQDOUNXBMJV-UHFFFAOYSA-N 0 0 385.342 3.345 50 0 in-man GGAARN Cc1cccc(CN2CCN(Cc3c[nH]nc3C3CCCCC3)C[C@@H]2CCO)n1 ZINC000019224351 570964017 /nfs/dbraw/zinc/96/40/17/570964017.db2.gz FUYVBOSIVCTKPX-QFIPXVFZSA-N 0 0 397.567 3.230 50 0 GGAARN O=C(c1coc(CN2CCN(Cc3ccccc3)CC2)n1)N1CCCCCCC1 ZINC000019228452 570964433 /nfs/dbraw/zinc/96/44/33/570964433.db2.gz QRAFCLVPWWBZFR-UHFFFAOYSA-N 0 0 396.535 3.399 50 0 GGAARN COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)C(C)=Nc3ncnn32)cc1OC ZINC000004148155 570964900 /nfs/dbraw/zinc/96/49/00/570964900.db2.gz LWWUTTOGGKKQPT-LJQANCHMSA-N 0 0 398.463 3.460 50 0 GGAARN COC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](C)N2C1=O ZINC000004086224 570966073 /nfs/dbraw/zinc/96/60/73/570966073.db2.gz XFIKOZWDYXMPFB-SGTLLEGYSA-N 0 0 389.411 3.409 50 0 biogenic GGAARN CS(=O)(=O)Nc1cccc(NC(=O)c2ccnc(OC3CCCC3)c2)c1 ZINC000252478165 570966364 /nfs/dbraw/zinc/96/63/64/570966364.db2.gz AEZNXAXJOPLQDN-UHFFFAOYSA-N 0 0 375.450 3.027 50 0 GGAARN COc1ccc(CCNC(=O)N[C@H](CCSC)c2nnc3ccccn32)cc1 ZINC000047606740 570966368 /nfs/dbraw/zinc/96/63/68/570966368.db2.gz RGZRUCVMZLSYTI-QGZVFWFLSA-N 0 0 399.520 3.074 50 0 GGAARN COc1ccc(CCNC(=O)N[C@@H](CCSC)c2nnc3ccccn32)cc1 ZINC000047606738 570966568 /nfs/dbraw/zinc/96/65/68/570966568.db2.gz RGZRUCVMZLSYTI-KRWDZBQOSA-N 0 0 399.520 3.074 50 0 GGAARN Cn1ccc2cc([C@H](O)CNS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21 ZINC000252480092 570967118 /nfs/dbraw/zinc/96/71/18/570967118.db2.gz BUTWJDDYPGKRRK-QGZVFWFLSA-N 0 0 398.406 3.209 50 0 GGAARN COc1ccc(C)cc1NC(=O)c1coc(NC(=O)Cc2c(C)noc2C)n1 ZINC000211073070 570968210 /nfs/dbraw/zinc/96/82/10/570968210.db2.gz QQAUTZDBZUAWLC-UHFFFAOYSA-N 0 0 384.392 3.030 50 0 GGAARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(-c2cccc(Cl)c2)nn1C ZINC000252482071 570968331 /nfs/dbraw/zinc/96/83/31/570968331.db2.gz CXIJVWGCUVAEIY-GOSISDBHSA-N 0 0 397.862 3.255 50 0 GGAARN Cc1cc(C)c(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c(C)c1 ZINC000004165668 570969032 /nfs/dbraw/zinc/96/90/32/570969032.db2.gz GKQDBBVXHOFNNR-UHFFFAOYSA-N 0 0 387.443 3.146 50 0 GGAARN Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)cc1Cl ZINC000004165683 570969099 /nfs/dbraw/zinc/96/90/99/570969099.db2.gz VKYSAZVRMPUUJK-UHFFFAOYSA-N 0 0 393.834 3.183 50 0 GGAARN O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)Nc1cccc(F)c1 ZINC000004165900 570969404 /nfs/dbraw/zinc/96/94/04/570969404.db2.gz UFZWOWVIIFRYLJ-UHFFFAOYSA-N 0 0 397.797 3.013 50 0 GGAARN CCc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3)c2=O)cc1 ZINC000004165797 570969468 /nfs/dbraw/zinc/96/94/68/570969468.db2.gz FZNKMTBYFRQLIW-UHFFFAOYSA-N 0 0 387.443 3.092 50 0 GGAARN COc1ccc(CC(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1OC ZINC000211082084 570969612 /nfs/dbraw/zinc/96/96/12/570969612.db2.gz HMWRYDBSJMKGBA-UHFFFAOYSA-N 0 0 385.441 3.448 50 0 GGAARN CC(C)(C)n1ncc2c1ncn(CC(=O)Nc1ccccc1C(F)(F)F)c2=O ZINC000004166246 570969726 /nfs/dbraw/zinc/96/97/26/570969726.db2.gz JBZZKYOMJKCVBA-UHFFFAOYSA-N 0 0 393.369 3.006 50 0 GGAARN CCCN1c2ccccc2S(=O)(=O)[C@@H](c2ccc(OC)c(OC)c2)CC1=O ZINC000004166292 570969740 /nfs/dbraw/zinc/96/97/40/570969740.db2.gz GYXDLRVROPHFFA-LJQANCHMSA-N 0 0 389.473 3.366 50 0 GGAARN O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000004166677 570970145 /nfs/dbraw/zinc/97/01/45/570970145.db2.gz BIPWEIMQWZWZTJ-UHFFFAOYSA-N 0 0 398.398 3.220 50 0 GGAARN CCN(CC)C(=O)[C@H]1CCCN(c2ncnc3c2cnn3-c2cccc(C)c2)C1 ZINC000004167187 570970390 /nfs/dbraw/zinc/97/03/90/570970390.db2.gz NIYDQEKNKGSFFJ-KRWDZBQOSA-N 0 0 392.507 3.209 50 0 GGAARN COC1CCN(c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)CC1 ZINC000252491263 570973563 /nfs/dbraw/zinc/97/35/63/570973563.db2.gz LKBDTLQEZVIUNA-UHFFFAOYSA-N 0 0 397.494 3.403 50 0 GGAARN COc1cc2c(cc1OC)-c1cc(NCCc3ccccc3)nc(=O)n1CC2 ZINC000002157985 570973869 /nfs/dbraw/zinc/97/38/69/570973869.db2.gz DGCBILVGELMKHN-UHFFFAOYSA-N 0 0 377.444 3.138 50 0 biogenic GGAARN COC(=O)c1ccc(S(=O)(=O)N2CCS[C@H](c3ccccc3)CC2)cc1 ZINC000208044747 570974307 /nfs/dbraw/zinc/97/43/07/570974307.db2.gz ZVSGVDDGEJZEJO-SFHVURJKSA-N 0 0 391.514 3.342 50 0 GGAARN COc1ccccc1CN1CN=C(Nc2nc(C)c3cccc(C)c3n2)NC1 ZINC000019331295 570975173 /nfs/dbraw/zinc/97/51/73/570975173.db2.gz BKZALFJHVLCCMC-UHFFFAOYSA-N 0 0 376.464 3.044 50 0 GGAARN CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccco2)c2cccs2)cc1 ZINC000585146765 570976401 /nfs/dbraw/zinc/97/64/01/570976401.db2.gz NBAIOUGVMOBMDV-MRXNPFEDSA-N 0 0 390.486 3.410 50 0 GGAARN O=C(N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc2nsnc2c1 ZINC000585146963 570976741 /nfs/dbraw/zinc/97/67/41/570976741.db2.gz OOYTUCKJGQXYRC-LBPRGKRZSA-N 0 0 393.394 3.114 50 0 GGAARN Cc1nccc(OC2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000585147046 570977215 /nfs/dbraw/zinc/97/72/15/570977215.db2.gz WMMWLIALJTXERD-UHFFFAOYSA-N 0 0 387.867 3.471 50 0 GGAARN C=Cc1ccc(Cn2nc3c(=O)n(-c4cccc(Cl)c4C)ccn3c2=O)cc1 ZINC000252502822 570977448 /nfs/dbraw/zinc/97/74/48/570977448.db2.gz UTZVMBDZVQBQFR-UHFFFAOYSA-N 0 0 392.846 3.300 50 0 GGAARN Cc1cc(C)nc(O[C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)n1 ZINC000585147456 570977588 /nfs/dbraw/zinc/97/75/88/570977588.db2.gz ZWACFNGJORZQLY-HNNXBMFYSA-N 0 0 395.912 3.287 50 0 GGAARN O=C(NC1CCCC1)C1(N(C[C@H]2CCCO2)C(=O)c2ccccn2)CCCCC1 ZINC000004571539 570978097 /nfs/dbraw/zinc/97/80/97/570978097.db2.gz UVPGUKGOJWCONB-LJQANCHMSA-N 0 0 399.535 3.465 50 0 GGAARN O=C(c1ccoc1)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000585147562 570978052 /nfs/dbraw/zinc/97/80/52/570978052.db2.gz UVMVBEPSJPUZMN-UHFFFAOYSA-N 0 0 381.407 3.195 50 0 GGAARN COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)c2cccs2)cc1 ZINC000585147676 570978264 /nfs/dbraw/zinc/97/82/64/570978264.db2.gz DRJPWAYQUAYJSW-HNNXBMFYSA-N 0 0 391.470 3.238 50 0 GGAARN CC[C@H](C)[C@@H](NC(=O)c1ccc(-n2nnnc2C)cc1)c1nc2ccccc2[nH]1 ZINC000252508035 570978496 /nfs/dbraw/zinc/97/84/96/570978496.db2.gz XAVNPSXIJUFGQZ-ORAYPTAESA-N 0 0 389.463 3.364 50 0 GGAARN CCc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n([C@@H](C)CC)c1=O ZINC000044840063 570978978 /nfs/dbraw/zinc/97/89/78/570978978.db2.gz YYQQUSBBNQDCEN-HNNXBMFYSA-N 0 0 379.460 3.335 50 0 GGAARN C[C@@H]1CCc2ccccc2N1C(=O)CCC(=O)NCc1ccc2c(c1)OCO2 ZINC000004775480 570979137 /nfs/dbraw/zinc/97/91/37/570979137.db2.gz FPKQTQZLERFNHL-OAHLLOKOSA-N 0 0 380.444 3.180 50 0 GGAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O ZINC000044840018 570979165 /nfs/dbraw/zinc/97/91/65/570979165.db2.gz SGMWBNTZXUWKDR-INIZCTEOSA-N 0 0 383.492 3.141 50 0 GGAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cc(F)cc(F)c2)c1=O ZINC000044840812 570979429 /nfs/dbraw/zinc/97/94/29/570979429.db2.gz OEPJAAXEBQBQOA-GFCCVEGCSA-N 0 0 387.386 3.051 50 0 GGAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2cccc(SC)c2)c1=O ZINC000044840304 570979622 /nfs/dbraw/zinc/97/96/22/570979622.db2.gz PLLOXXJBLPZMHH-CQSZACIVSA-N 0 0 397.500 3.495 50 0 GGAARN CN(C)c1ccc(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)cc1 ZINC000044841367 570979784 /nfs/dbraw/zinc/97/97/84/570979784.db2.gz SLKMYCXXNNSIKZ-UHFFFAOYSA-N 0 0 381.476 3.414 50 0 GGAARN O=C(NC1CCCCC1)c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000033325330 570980025 /nfs/dbraw/zinc/98/00/25/570980025.db2.gz OMZAORDTTUGSPT-AWEZNQCLSA-N 0 0 393.534 3.034 50 0 GGAARN COc1ccc(-c2n[nH]c(C)c2CC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000044891202 570980244 /nfs/dbraw/zinc/98/02/44/570980244.db2.gz MKPPXRNZBOOMIZ-UHFFFAOYSA-N 0 0 379.416 3.346 50 0 GGAARN O=C(NCc1ccncc1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 ZINC000001400110 570980360 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/nfs/dbraw/zinc/32/26/07/1398322607.db2.gz KSJQOZNNEFJERF-UHFFFAOYSA-N 0 0 377.322 3.379 50 0 GGAARN COCCNC(=O)c1cnn2c1nc(-c1ccc(C)cc1)cc2C(F)(F)F ZINC000002987306 1398323157 /nfs/dbraw/zinc/32/31/57/1398323157.db2.gz RYBLPNKTEASIEA-UHFFFAOYSA-N 0 0 378.354 3.100 50 0 GGAARN Cc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccccc3C(F)(F)F)c2=O)cc1 ZINC000002973001 1398323330 /nfs/dbraw/zinc/32/33/30/1398323330.db2.gz TXTXNHYNFHSEGO-UHFFFAOYSA-N 0 0 389.333 3.105 50 0 GGAARN O=C(NCCOc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000002995351 1398323807 /nfs/dbraw/zinc/32/38/07/1398323807.db2.gz NXBNLKYNDCUYJQ-ZDUSSCGKSA-N 0 0 376.815 3.027 50 0 GGAARN CN(C)S(=O)(=O)Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003052196 1398325615 /nfs/dbraw/zinc/32/56/15/1398325615.db2.gz YGUUVAWSMIKTRA-UHFFFAOYSA-N 0 0 388.367 3.143 50 0 GGAARN Cc1nsc(NC(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000055387153 1406945283 /nfs/dbraw/zinc/94/52/83/1406945283.db2.gz UGYZDMPYQXUGDU-UHFFFAOYSA-N 0 0 386.399 3.381 50 0 GGAARN Cc1cc(=O)oc2ccc(OC(=O)[C@@H](C)NC(=O)OCc3ccccc3)cc12 ZINC000003069080 1398326306 /nfs/dbraw/zinc/32/63/06/1398326306.db2.gz PMNVLABJPBTACO-CQSZACIVSA-N 0 0 381.384 3.322 50 0 GGAARN COc1ccc([C@@]2(c3ncc(C(F)(F)F)cc3Cl)CCC(=O)NC2=O)cc1 ZINC000003133154 1398327541 /nfs/dbraw/zinc/32/75/41/1398327541.db2.gz WEYOXJBGKKPSPO-QGZVFWFLSA-N 0 0 398.768 3.485 50 0 GGAARN CSCCC[C@@H]1NC(=O)N(c2ccc3c(c2)O[C@@H](c2ccncc2)N3)C1=O ZINC000004000472 1398375842 /nfs/dbraw/zinc/37/58/42/1398375842.db2.gz VXGFERCTVPQXGZ-RDJZCZTQSA-N 0 0 384.461 3.153 50 0 biogenic GGAARN CN1CCc2c3ccccc3n(C[C@H](O)CNc3ccc(Cl)cc3)c2C1=O ZINC000003999713 1398376218 /nfs/dbraw/zinc/37/62/18/1398376218.db2.gz AGVDBOQYKWMILS-MRXNPFEDSA-N 0 0 383.879 3.396 50 0 biogenic GGAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)NC(C)(C)C)cc1 ZINC000003866601 1398376236 /nfs/dbraw/zinc/37/62/36/1398376236.db2.gz USLVTSPSAHHMBD-MRXNPFEDSA-N 0 0 381.542 3.026 50 0 GGAARN C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)CN(Cc1ccccc1Cl)C2=O ZINC000004029632 1398376551 /nfs/dbraw/zinc/37/65/51/1398376551.db2.gz JHENVYOMTCQKQQ-QFIPXVFZSA-N 0 0 393.874 3.464 50 0 biogenic GGAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004023203 1398376658 /nfs/dbraw/zinc/37/66/58/1398376658.db2.gz SDSTWQKFZBIDEK-GDGNDWBKSA-N 0 0 390.520 3.462 50 0 biogenic GGAARN COc1ccc(C(=O)NCCCCCCNC(=O)c2ccc(OC)cc2)cc1 ZINC000004023461 1398376787 /nfs/dbraw/zinc/37/67/87/1398376787.db2.gz QZJPLGORLKLJNF-UHFFFAOYSA-N 0 0 384.476 3.424 50 0 biogenic GGAARN CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000004036296 1398377360 /nfs/dbraw/zinc/37/73/60/1398377360.db2.gz KVBAUONMSULRQU-HXUWFJFHSA-N 0 0 385.489 3.454 50 0 GGAARN C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)CN(Cc1ccc(Cl)cc1)C2=O ZINC000004040450 1398377809 /nfs/dbraw/zinc/37/78/09/1398377809.db2.gz HJUCAFHKLBWJLP-QFIPXVFZSA-N 0 0 393.874 3.464 50 0 biogenic GGAARN COc1ccc(N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)c(OC)c1 ZINC000004043585 1398377880 /nfs/dbraw/zinc/37/78/80/1398377880.db2.gz GOQDEVNFXFQUCY-QFIPXVFZSA-N 0 0 391.427 3.425 50 0 biogenic GGAARN COc1ccc(OC)c(N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)c1 ZINC000004044197 1398377889 /nfs/dbraw/zinc/37/78/89/1398377889.db2.gz VYLRAIXPHFLMOC-QFIPXVFZSA-N 0 0 391.427 3.425 50 0 biogenic GGAARN CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000004036300 1398377969 /nfs/dbraw/zinc/37/79/69/1398377969.db2.gz DDMGRSCCJBTRAA-LJQANCHMSA-N 0 0 389.452 3.285 50 0 GGAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)N[C@H](C)c3ccccc3)CS[C@H]21 ZINC000004081269 1398378172 /nfs/dbraw/zinc/37/81/72/1398378172.db2.gz AZLMHLJKTYSGDV-PYDTXJQDSA-N 0 0 398.484 3.151 50 0 biogenic GGAARN CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000004081615 1398378288 /nfs/dbraw/zinc/37/82/88/1398378288.db2.gz LJYUTWNQDXLTBH-XLIONFOSSA-N 0 0 396.468 3.080 50 0 biogenic GGAARN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc1 ZINC000004066359 1398378449 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GGAARN COc1ccc(CCNC(=O)Cc2c(C)c3ccc(OC)cc3oc2=O)cc1 ZINC000004084652 1398379538 /nfs/dbraw/zinc/37/95/38/1398379538.db2.gz RKFDGRUDQLIVMQ-UHFFFAOYSA-N 0 0 381.428 3.020 50 0 biogenic GGAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000004090954 1398379988 /nfs/dbraw/zinc/37/99/88/1398379988.db2.gz ICXWIVJGTFLVCY-NYYWCZLTSA-N 0 0 397.500 3.058 50 0 GGAARN COc1ccc(-n2c(C)nn(Cc3cccc(C(F)(F)F)c3)c2=O)c(OC)c1 ZINC000004089199 1398380061 /nfs/dbraw/zinc/38/00/61/1398380061.db2.gz OESJFAPKRLBWGC-UHFFFAOYSA-N 0 0 393.365 3.427 50 0 GGAARN COc1cc2c(cc1OC)CN(C(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)CC2 ZINC000004089811 1398380228 /nfs/dbraw/zinc/38/02/28/1398380228.db2.gz WTYPTXUWHKPHLS-NRFANRHFSA-N 0 0 396.487 3.043 50 0 biogenic GGAARN COc1ccc(-n2c(C)nn(-c3ncc(C(F)(F)F)cc3Cl)c2=O)cc1 ZINC000004089150 1398380273 /nfs/dbraw/zinc/38/02/73/1398380273.db2.gz BKNAITWFBVAPQW-UHFFFAOYSA-N 0 0 384.745 3.407 50 0 GGAARN COc1ccc(CC(=O)Nc2c3c(nn2-c2ccc(C)cc2)C[S@@](=O)C3)cc1 ZINC000004105987 1398380600 /nfs/dbraw/zinc/38/06/00/1398380600.db2.gz SUGODOAZCCPQKL-MUUNZHRXSA-N 0 0 395.484 3.133 50 0 GGAARN COc1ccc(-n2nc3c(c2NC(=O)c2cccc(F)c2)C[S@](=O)C3)cc1 ZINC000004106069 1398380629 /nfs/dbraw/zinc/38/06/29/1398380629.db2.gz PACHECVUZWPGCG-HHHXNRCGSA-N 0 0 385.420 3.035 50 0 GGAARN CCOc1ccc(-c2nnc3ccc(SCC(=O)NC4CCCC4)nn32)cc1 ZINC000004165075 1398381855 /nfs/dbraw/zinc/38/18/55/1398381855.db2.gz BMZSCQYDBWJVGM-UHFFFAOYSA-N 0 0 397.504 3.341 50 0 GGAARN COc1ccc(CN(C(=O)c2cccc(Cl)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000004182984 1398382632 /nfs/dbraw/zinc/38/26/32/1398382632.db2.gz RSECXDCZLJBYRA-KRWDZBQOSA-N 0 0 393.892 3.178 50 0 GGAARN CCCOc1cccc(C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000004183482 1398382733 /nfs/dbraw/zinc/38/27/33/1398382733.db2.gz JTMWDYBNZZPFML-INIZCTEOSA-N 0 0 393.530 3.366 50 0 GGAARN COc1ccc([C@@H]2C[C@@H](c3ccc(OC)c(OC)c3)n3nc(N)nc3N2)cc1 ZINC000004204576 1398383136 /nfs/dbraw/zinc/38/31/36/1398383136.db2.gz SGTGPDIHCJHSAK-HOTGVXAUSA-N 0 0 381.436 3.032 50 0 GGAARN COc1ccc(-n2ccnc2SCC(=O)NCc2ccccc2)c(OC)c1 ZINC000004248687 1398386043 /nfs/dbraw/zinc/38/60/43/1398386043.db2.gz SAUYMGTUCWMTON-UHFFFAOYSA-N 0 0 383.473 3.298 50 0 GGAARN O=C(CSc1nnc2[nH]c(=O)cc(-c3ccccc3)n21)Nc1ccccc1 ZINC000004250032 1398386100 /nfs/dbraw/zinc/38/61/00/1398386100.db2.gz YPDKQNOYKVGWAF-UHFFFAOYSA-N 0 0 377.429 3.228 50 0 GGAARN O=C(CSc1nccn1Cc1ccc2c(c1)OCO2)NCCc1ccccc1 ZINC000004248827 1398386235 /nfs/dbraw/zinc/38/62/35/1398386235.db2.gz NHAPVAZKUJXHEX-UHFFFAOYSA-N 0 0 395.484 3.111 50 0 GGAARN Cc1cc(NC(=O)CSc2ccc(-c3ccc(-n4ccnc4)cc3)nn2)no1 ZINC000004251306 1398386411 /nfs/dbraw/zinc/38/64/11/1398386411.db2.gz OPCPGRDOFPTDDF-UHFFFAOYSA-N 0 0 392.444 3.357 50 0 GGAARN O=C(CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1)NC1CCCC1 ZINC000004251298 1398386419 /nfs/dbraw/zinc/38/64/19/1398386419.db2.gz OTYXWABCBQLZBZ-UHFFFAOYSA-N 0 0 379.489 3.480 50 0 GGAARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)c(OC)c1 ZINC000004262954 1398386579 /nfs/dbraw/zinc/38/65/79/1398386579.db2.gz 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3.487 50 0 GGAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)/C=C/c1cccs1 ZINC000015006888 1399131360 /nfs/dbraw/zinc/13/13/60/1399131360.db2.gz FRAILWAFGSCVPL-JAGRNKBHSA-N 0 0 388.876 3.440 50 0 GGAARN O=C(c1cccnc1)N1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000015074793 1399136597 /nfs/dbraw/zinc/13/65/97/1399136597.db2.gz BVFQDWGVTGKYMZ-NRFANRHFSA-N 0 0 385.414 3.015 50 0 GGAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@H](C)O3)cc1OC ZINC000016676680 1399256037 /nfs/dbraw/zinc/25/60/37/1399256037.db2.gz JIOQRXZVWJZHGF-ZDUSSCGKSA-N 0 0 384.432 3.019 50 0 GGAARN COC(=O)c1sc(NC(=O)COc2ccc3ccccc3c2)c(C(N)=O)c1C ZINC000016676418 1399256246 /nfs/dbraw/zinc/25/62/46/1399256246.db2.gz ALTQEFFAFKTAGG-UHFFFAOYSA-N 0 0 398.440 3.113 50 0 GGAARN CCOc1ccc(C2N3CC4(C)CN2CC(c2ccccc2)(C3)C4=O)cc1OC ZINC000019323584 1399329612 /nfs/dbraw/zinc/32/96/12/1399329612.db2.gz FBFDRHFWUMSZKB-UHFFFAOYSA-N 0 0 392.499 3.251 50 0 biogenic GGAARN Cc1cc2cc(C(=O)N3CCC[C@@H](CCC(=O)N4CCN(C)CC4)C3)ccc2o1 ZINC000019537334 1399331318 /nfs/dbraw/zinc/33/13/18/1399331318.db2.gz DOBPDDBPMAZYKS-SFHVURJKSA-N 0 0 397.519 3.148 50 0 GGAARN CCCN(CC1CC1)C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 ZINC000019595641 1399331763 /nfs/dbraw/zinc/33/17/63/1399331763.db2.gz BWMSUXSXVYUSKY-UHFFFAOYSA-N 0 0 396.535 3.255 50 0 GGAARN COC(=O)c1ccc(CN2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)cc1 ZINC000019641655 1399333328 /nfs/dbraw/zinc/33/33/28/1399333328.db2.gz UZTKRDSMLYGDDX-NRFANRHFSA-N 0 0 394.471 3.149 50 0 GGAARN O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccc(Cl)cc1 ZINC000019706450 1399335547 /nfs/dbraw/zinc/33/55/47/1399335547.db2.gz CRLJHTVOVQXTPL-UHFFFAOYSA-N 0 0 384.867 3.274 50 0 GGAARN CCCCn1c(CN(C)[C@H]2CCOC2)cnc1S(=O)(=O)CCCC(C)C ZINC000019759863 1399338181 /nfs/dbraw/zinc/33/81/81/1399338181.db2.gz QNFLNRNGBWWATF-KRWDZBQOSA-N 0 0 385.574 3.114 50 0 GGAARN CC(C)CCNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2csnn2)s1 ZINC000019792529 1399338866 /nfs/dbraw/zinc/33/88/66/1399338866.db2.gz WERMYTNXCCWPIB-ZDUSSCGKSA-N 0 0 378.523 3.353 50 0 GGAARN CC[C@@H](C)NC(=O)N1CCC(n2cc(Cn3c(C)nc4ccccc43)nn2)CC1 ZINC000019837118 1399338921 /nfs/dbraw/zinc/33/89/21/1399338921.db2.gz OATFGDKLINXKTC-OAHLLOKOSA-N 0 0 395.511 3.130 50 0 GGAARN CC[C@H](C)NC(=O)N1CCC(n2cc(Cn3c(C)nc4ccccc43)nn2)CC1 ZINC000019837120 1399338944 /nfs/dbraw/zinc/33/89/44/1399338944.db2.gz OATFGDKLINXKTC-HNNXBMFYSA-N 0 0 395.511 3.130 50 0 GGAARN CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1NCCN1CCOCC1 ZINC000019912165 1399339516 /nfs/dbraw/zinc/33/95/16/1399339516.db2.gz JHPRJSYWCQJWEK-UHFFFAOYSA-N 0 0 397.397 3.174 50 0 GGAARN COc1cc([C@H]2c3c(C)nn(C(C)C)c3NC3=C2C(=O)OC3)cc(OC)c1OC ZINC000020086608 1399342312 /nfs/dbraw/zinc/34/23/12/1399342312.db2.gz HESMQMNIKPUXCQ-KRWDZBQOSA-N 0 0 399.447 3.167 50 0 GGAARN COc1c2c(cc3c1[C@@H](CC(=O)CCc1ccc(O)cc1)N(C)CC3)OCO2 ZINC000020111810 1399342960 /nfs/dbraw/zinc/34/29/60/1399342960.db2.gz FDQAFLAYJZFRKU-GOSISDBHSA-N 0 0 383.444 3.251 50 0 biogenic GGAARN COc1cccc(OC)c1C(=O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000020111666 1399343226 /nfs/dbraw/zinc/34/32/26/1399343226.db2.gz BVPOUZYMAXTGAC-CQSZACIVSA-N 0 0 399.443 3.243 50 0 biogenic GGAARN CCN1CCN(c2c3ccccc3ncc2S(=O)(=O)c2ccccc2)CC1 ZINC000020381905 1399345616 /nfs/dbraw/zinc/34/56/16/1399345616.db2.gz WCSZYEIJCCGYMC-UHFFFAOYSA-N 0 0 381.501 3.210 50 0 GGAARN COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1CC(=O)NCc1ccco1 ZINC000020387067 1399345927 /nfs/dbraw/zinc/34/59/27/1399345927.db2.gz FRVRXELKQYUMKV-AJSBUHFISA-N 0 0 398.503 3.273 50 0 biogenic GGAARN CCCCNC(=O)c1cc(-c2ccc(C)c(C)c2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000020397468 1399346054 /nfs/dbraw/zinc/34/60/54/1399346054.db2.gz YJRQTKKIITUNOJ-KRWDZBQOSA-N 0 0 389.521 3.056 50 0 GGAARN CN(C)C(=O)c1ccc([C@H]2CCCN2C(=O)c2ccc3cccnc3n2)s1 ZINC000020452663 1399346759 /nfs/dbraw/zinc/34/67/59/1399346759.db2.gz PWIFTNCBBXXCIO-OAHLLOKOSA-N 0 0 380.473 3.370 50 0 GGAARN O=C(NC1CCCC1)c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1 ZINC000020541479 1399348513 /nfs/dbraw/zinc/34/85/13/1399348513.db2.gz CBAULHBLHGMHSH-RMKNXTFCSA-N 0 0 394.519 3.178 50 0 GGAARN Cc1ocnc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)Nc2cnns2)s1 ZINC000020587233 1399349545 /nfs/dbraw/zinc/34/95/45/1399349545.db2.gz WZZFJBBPQZTBSA-SNVBAGLBSA-N 0 0 389.462 3.126 50 0 GGAARN COc1c2c(cc3c1[C@H](c1nncn1-c1ccc(C)c(C)c1)N(C)CC3)OCO2 ZINC000020609775 1399350198 /nfs/dbraw/zinc/35/01/98/1399350198.db2.gz SHPVQSVEQPYVOK-LJQANCHMSA-N 0 0 392.459 3.199 50 0 biogenic GGAARN Cn1nc(C(=O)Nc2cccnc2Cl)cc1C(=O)Nc1cccnc1Cl ZINC000020617760 1399350259 /nfs/dbraw/zinc/35/02/59/1399350259.db2.gz UVYNOQZCPVOKBL-UHFFFAOYSA-N 0 0 391.218 3.022 50 0 GGAARN Cn1cc(C(=O)Nc2cccnc2Cl)c(C(=O)Nc2cccnc2Cl)n1 ZINC000020616965 1399350310 /nfs/dbraw/zinc/35/03/10/1399350310.db2.gz RPLXJQJNXRXCLK-UHFFFAOYSA-N 0 0 391.218 3.022 50 0 GGAARN O=C(CSCc1nc2ccccc2c(=O)[nH]1)Nc1nc2ccccc2s1 ZINC000020728875 1399352086 /nfs/dbraw/zinc/35/20/86/1399352086.db2.gz QRQYYBKZVKPIQM-UHFFFAOYSA-N 0 0 382.470 3.405 50 0 GGAARN CSc1nccc(-c2cccc(-c3ccn(CCN4CCOCC4)n3)c2)n1 ZINC000020912680 1399356949 /nfs/dbraw/zinc/35/69/49/1399356949.db2.gz YVSXVKQACGAZKF-UHFFFAOYSA-N 0 0 381.505 3.061 50 0 GGAARN O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCCn1ccnc1 ZINC000020920178 1399357357 /nfs/dbraw/zinc/35/73/57/1399357357.db2.gz IXJLYJHEJLPPOC-UHFFFAOYSA-N 0 0 399.882 3.139 50 0 GGAARN CCOC(=O)c1cn(CC(=O)Nc2ccc(Cl)cc2)c2nc(C)ccc2c1=O ZINC000020986371 1399359391 /nfs/dbraw/zinc/35/93/91/1399359391.db2.gz NHPFHNGRYUBRFE-UHFFFAOYSA-N 0 0 399.834 3.174 50 0 GGAARN CCOc1ccccc1NC(=O)COc1cc(C)nc(N2CCC(C)CC2)n1 ZINC000021360709 1399376090 /nfs/dbraw/zinc/37/60/90/1399376090.db2.gz DRNPDQCKEQQMEO-UHFFFAOYSA-N 0 0 384.480 3.438 50 0 GGAARN CCOc1ccc(NC(=O)COc2cc(C)nc(N3CCC(C)CC3)n2)cc1 ZINC000021360717 1399376156 /nfs/dbraw/zinc/37/61/56/1399376156.db2.gz XWSWGCLOHUFZMD-UHFFFAOYSA-N 0 0 384.480 3.438 50 0 GGAARN Cc1ccccc1NC(=O)Cn1c2ccccc2nc(N2CCCCC2)c1=O ZINC000021657625 1399398302 /nfs/dbraw/zinc/39/83/02/1399398302.db2.gz KUISHCBQMGSNBS-UHFFFAOYSA-N 0 0 376.460 3.334 50 0 GGAARN Cc1cc(C)c(NC(=O)C(=O)NCC2(c3cccs3)CCOCC2)c(C)c1 ZINC000021690686 1399401098 /nfs/dbraw/zinc/40/10/98/1399401098.db2.gz PZPGJCNOOXDFPG-UHFFFAOYSA-N 0 0 386.517 3.476 50 0 GGAARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccn3)cc2)cc1 ZINC000021894024 1399420550 /nfs/dbraw/zinc/42/05/50/1399420550.db2.gz QILGXMOFULXSJU-UHFFFAOYSA-N 0 0 383.429 3.143 50 0 GGAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C)C(=S)N21 ZINC000022018251 1399432498 /nfs/dbraw/zinc/43/24/98/1399432498.db2.gz JSSPQFURAYECJQ-APWZRJJASA-N 0 0 377.469 3.250 50 0 GGAARN Cc1ccc(S(=O)(=O)N2N=C3[C@@H]([C@@H]2c2ccc(F)cc2)N2CCC3CC2)cc1 ZINC000022342394 1399454933 /nfs/dbraw/zinc/45/49/33/1399454933.db2.gz SDKKHERCOUTTQW-SFTDATJTSA-N 0 0 399.491 3.330 50 0 GGAARN CCOc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(C)CC2)cc1 ZINC000022459983 1399465685 /nfs/dbraw/zinc/46/56/85/1399465685.db2.gz DONPBWVNCQGRQV-UZLBHIALSA-N 0 0 387.549 3.254 50 0 GGAARN COc1ccc([C@@H](c2sc3ncnn3c2[O-])[NH+]2CCC(C)CC2)cc1OC ZINC000022609342 1399482147 /nfs/dbraw/zinc/48/21/47/1399482147.db2.gz RMKJVQKWTMHLOK-INIZCTEOSA-N 0 0 388.493 3.335 50 0 GGAARN Brc1cnc(NCn2nnc3ccccc32)c(Br)c1 ZINC000022782100 1399502946 /nfs/dbraw/zinc/50/29/46/1399502946.db2.gz SGOLZWSCBZXAHJ-UHFFFAOYSA-N 0 0 383.047 3.421 50 0 GGAARN Oc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1Cl ZINC000023145541 1399535522 /nfs/dbraw/zinc/53/55/22/1399535522.db2.gz HUTWKPFSSHLAFG-UHFFFAOYSA-N 0 0 382.895 3.481 50 0 GGAARN Cc1cc(CN(C)Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)on1 ZINC000023158620 1399536067 /nfs/dbraw/zinc/53/60/67/1399536067.db2.gz VHITYQQCBPNAIW-UHFFFAOYSA-N 0 0 381.480 3.197 50 0 GGAARN CC[C@H](C)n1[nH]c(C)c2nc(-c3ccccc3OCCN3CCOCC3)nc1-2 ZINC000023311855 1399549083 /nfs/dbraw/zinc/54/90/83/1399549083.db2.gz WRFUOFVOHNWBPQ-HNNXBMFYSA-N 0 0 383.496 3.417 50 0 GGAARN CC(C)Cn1c(CN2CCC[C@@H](c3ccccc3)C2)cnc1S(C)(=O)=O ZINC000023338392 1399550204 /nfs/dbraw/zinc/55/02/04/1399550204.db2.gz GDSDIHQLCDNZSJ-GOSISDBHSA-N 0 0 375.538 3.322 50 0 GGAARN COc1ccccc1OC1CN(Cc2cccc(-c3nc(C)cc(=O)[nH]3)c2)C1 ZINC000023338335 1399550283 /nfs/dbraw/zinc/55/02/83/1399550283.db2.gz OGWIGSTXKXPTTH-UHFFFAOYSA-N 0 0 377.444 3.017 50 0 GGAARN Cc1ccc(Nc2ncc(CN3CCN(C(=O)[C@H]4CCCO4)CC3)s2)cc1 ZINC000023367990 1399553405 /nfs/dbraw/zinc/55/34/05/1399553405.db2.gz JCHVRALYYJGLCM-GOSISDBHSA-N 0 0 386.521 3.018 50 0 GGAARN Cc1nc(-c2c(C)ncc3c2CCN(C(=O)c2n[nH]c4ccc(C)cc42)C3)no1 ZINC000023399689 1399556757 /nfs/dbraw/zinc/55/67/57/1399556757.db2.gz QTOJTBACKDXBHH-UHFFFAOYSA-N 0 0 388.431 3.132 50 0 GGAARN NC(=O)c1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3F)n[nH]2)s1 ZINC000023506669 1399566408 /nfs/dbraw/zinc/56/64/08/1399566408.db2.gz SCEYGMYZTFQYBB-OAHLLOKOSA-N 0 0 384.436 3.354 50 0 GGAARN COc1cc(N2CCOCC2)ccc1NC(=O)c1csc(-c2cccnc2)n1 ZINC000029046873 1400229678 /nfs/dbraw/zinc/22/96/78/1400229678.db2.gz JQSRUVXPODZKAF-UHFFFAOYSA-N 0 0 396.472 3.303 50 0 GGAARN Cc1ccc(S(=O)(=O)N2N=C3[C@@H]([C@H]2c2ccc(F)cc2)N2CCC3CC2)cc1 ZINC000043199480 1403729009 /nfs/dbraw/zinc/72/90/09/1403729009.db2.gz SDKKHERCOUTTQW-RTWAWAEBSA-N 0 0 399.491 3.330 50 0 GGAARN CCCNC(=O)[C@@H]1Cc2cc(OC)ccc2CN1Cc1ccc(OC)c(F)c1 ZINC000044127123 1403880601 /nfs/dbraw/zinc/88/06/01/1403880601.db2.gz BYEBDXWKZGIKJU-FQEVSTJZSA-N 0 0 386.467 3.296 50 0 GGAARN COc1ccc(N2C[C@@H](c3noc(-c4cccc(N(C)C)c4)n3)CC2=O)cc1 ZINC000044417621 1403931760 /nfs/dbraw/zinc/93/17/60/1403931760.db2.gz COQHWAOUQAQEQD-HNNXBMFYSA-N 0 0 378.432 3.332 50 0 GGAARN CCNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 ZINC000044688000 1403983216 /nfs/dbraw/zinc/98/32/16/1403983216.db2.gz FNPUBUZULYWIOT-OAHLLOKOSA-N 0 0 399.878 3.390 50 0 GGAARN O=C(Cn1nc(-c2ccccc2F)ccc1=O)Nc1nc2ccccc2s1 ZINC000044920771 1404020801 /nfs/dbraw/zinc/02/08/01/1404020801.db2.gz ANYOJTUIGBUJKG-UHFFFAOYSA-N 0 0 380.404 3.298 50 0 GGAARN Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)c2c[nH]c(C)cc2=O)c1 ZINC000046082988 1404292056 /nfs/dbraw/zinc/29/20/56/1404292056.db2.gz KQWJHQQAJOZHQR-LJQANCHMSA-N 0 0 376.460 3.293 50 0 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O=S(=O)(c1ccccc1)N(c1cccc(F)c1)S(=O)(=O)c1ccccc1 ZINC000230511407 1433372892 /nfs/dbraw/zinc/37/28/92/1433372892.db2.gz XGVWHKUITRCADI-UHFFFAOYSA-N 0 0 391.445 3.410 50 0 GGAARN CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3CC)CC2)cc1C ZINC000230512799 1433372941 /nfs/dbraw/zinc/37/29/41/1433372941.db2.gz IRBIURZGTJDOJY-UHFFFAOYSA-N 0 0 388.533 3.467 50 0 GGAARN O=C(NC[C@@](O)(c1ccco1)c1cccs1)C1(c2ccccc2)CCOCC1 ZINC000238960072 1433445525 /nfs/dbraw/zinc/44/55/25/1433445525.db2.gz YJDQTCVEKRIAKY-JOCHJYFZSA-N 0 0 397.496 3.442 50 0 GGAARN O=C(c1ccc(Oc2nccs2)cc1)N1CCN(Cc2cccnc2)CC1 ZINC000238864831 1433445580 /nfs/dbraw/zinc/44/55/80/1433445580.db2.gz LNPWGGVAIUPANV-UHFFFAOYSA-N 0 0 380.473 3.288 50 0 GGAARN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C1(c2ccccc2OC)CC1 ZINC000238918965 1433445591 /nfs/dbraw/zinc/44/55/91/1433445591.db2.gz SUOKZFIHNKBEPY-QHCPKHFHSA-N 0 0 381.472 3.076 50 0 GGAARN COc1ccccc1OCC(=O)N1CC[C@H](Oc2ccc3ccccc3n2)C1 ZINC000244947579 1433453410 /nfs/dbraw/zinc/45/34/10/1433453410.db2.gz 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O=C(Nc1ccccc1)c1ccc2c(c1)nc1n2CCN(C[C@H]2CCCO2)C1 ZINC000253470681 1433867642 /nfs/dbraw/zinc/86/76/42/1433867642.db2.gz VEEXRPRVCBUJRM-GOSISDBHSA-N 0 0 376.460 3.283 50 0 GGAARN O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@](O)(c1ccco1)c1cccs1 ZINC000253475669 1433867877 /nfs/dbraw/zinc/86/78/77/1433867877.db2.gz WNHCWEXQFGEPNG-IEJURRBGSA-N 0 0 383.425 3.135 50 0 GGAARN CC1(C)C=C(CN2CCN(c3ccccc3)CC2)c2cccc3c2N1C(=O)C3=O ZINC000253495772 1433868195 /nfs/dbraw/zinc/86/81/95/1433868195.db2.gz QRQBBIAGYHJYEC-UHFFFAOYSA-N 0 0 387.483 3.214 50 0 GGAARN CC(=O)O[C@H](C(=O)O[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000261507402 1433896879 /nfs/dbraw/zinc/89/68/79/1433896879.db2.gz ICDNONFWQZIBLD-BBWFWOEESA-N 0 0 375.421 3.056 50 0 GGAARN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1cn[nH]c1)C(=O)OC2 ZINC000276369817 1435207394 /nfs/dbraw/zinc/20/73/94/1435207394.db2.gz BTHZMDFUNZLEMQ-NYYWCZLTSA-N 0 0 385.420 3.010 50 0 GGAARN O=C(Cn1c(=O)oc2ccccc21)N1CCS[C@@H](c2ccccc2F)CC1 ZINC000219109380 222591775 /nfs/dbraw/zinc/59/17/75/222591775.db2.gz QHPFVZMKQGHFQZ-GOSISDBHSA-N 0 0 386.448 3.440 50 0 GGAARN CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccoc1COc1ccc(C)cc1)C2 ZINC000219251006 222594002 /nfs/dbraw/zinc/59/40/02/222594002.db2.gz KETCVICKYKRHNT-HXUWFJFHSA-N 0 0 395.459 3.463 50 0 GGAARN CC[C@H](C(=O)NCc1cnn2cccnc12)n1cc(C(C)=O)c2ccccc21 ZINC000221328939 222603245 /nfs/dbraw/zinc/60/32/45/222603245.db2.gz FVSVFWLUTNBNOO-GOSISDBHSA-N 0 0 375.432 3.154 50 0 GGAARN Cc1cc(-c2ccc(C(=O)N(C)[C@H](C)c3ccncn3)cc2)nc(N(C)C)n1 ZINC000426394779 231213893 /nfs/dbraw/zinc/21/38/93/231213893.db2.gz ZNAVVJBGBKZBSO-OAHLLOKOSA-N 0 0 376.464 3.141 50 0 GGAARN O=C(NCCn1ccc2ccccc21)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000426406040 231216800 /nfs/dbraw/zinc/21/68/00/231216800.db2.gz GFMRAWGPMLWIPQ-HXUWFJFHSA-N 0 0 378.476 3.427 50 0 GGAARN COCCN(Cc1cnn(C)c1)C(=O)c1ccc(-c2ccc(O)c(C)c2)cc1 ZINC000426415233 231217311 /nfs/dbraw/zinc/21/73/11/231217311.db2.gz BFPNWCHACOQRBJ-UHFFFAOYSA-N 0 0 379.460 3.390 50 0 GGAARN COc1ccc(C2(C(=O)NCc3ncc4c(n3)CCC4)CCCC2)cc1OC ZINC000426414752 231217482 /nfs/dbraw/zinc/21/74/82/231217482.db2.gz SMCCODRYCIDUFN-UHFFFAOYSA-N 0 0 381.476 3.111 50 0 GGAARN O=C(Cc1ccccc1O)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000426419632 231217545 /nfs/dbraw/zinc/21/75/45/231217545.db2.gz AJWKJLXZBNUISE-HSZRJFAPSA-N 0 0 396.462 3.115 50 0 GGAARN C[C@@H](NC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1)c1nc(C2CC2)no1 ZINC000426415674 231218196 /nfs/dbraw/zinc/21/81/96/231218196.db2.gz UXTNHDFIXXWQRX-SECBINFHSA-N 0 0 377.832 3.185 50 0 GGAARN Cc1cc(CNC(=O)N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)no1 ZINC000426424442 231218746 /nfs/dbraw/zinc/21/87/46/231218746.db2.gz ZTNAQAMUTUQHFY-UHFFFAOYSA-N 0 0 379.464 3.386 50 0 GGAARN NC(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3cc(C(F)(F)F)ccn3)c2)C1 ZINC000426372525 231209284 /nfs/dbraw/zinc/20/92/84/231209284.db2.gz VLPOEJIRNCXSFG-CQSZACIVSA-N 0 0 377.366 3.105 50 0 GGAARN Cc1nc(-c2ccccc2)ncc1C(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000426373579 231209522 /nfs/dbraw/zinc/20/95/22/231209522.db2.gz GTWZGCNYBORVFJ-KRWDZBQOSA-N 0 0 390.418 3.126 50 0 GGAARN Cc1cnccc1-c1ccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000426376575 231209908 /nfs/dbraw/zinc/20/99/08/231209908.db2.gz VEGAGMSJICZTFC-NRFANRHFSA-N 0 0 379.504 3.384 50 0 GGAARN Cc1nnc(-c2ccc(C)c(NC(=O)N3CCC[C@H](Cn4ccnc4)C3)c2)o1 ZINC000426381445 231210510 /nfs/dbraw/zinc/21/05/10/231210510.db2.gz LWAWENGYXBOHNS-MRXNPFEDSA-N 0 0 380.452 3.494 50 0 GGAARN Cc1nnc(-c2ccc(C)c(NC(=O)N3CCC[C@@H](Cn4ccnc4)C3)c2)o1 ZINC000426381444 231211220 /nfs/dbraw/zinc/21/12/20/231211220.db2.gz LWAWENGYXBOHNS-INIZCTEOSA-N 0 0 380.452 3.494 50 0 GGAARN Cc1ncc(C(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000426387022 231212667 /nfs/dbraw/zinc/21/26/67/231212667.db2.gz DDJQISFRJYCXDM-QGZVFWFLSA-N 0 0 386.455 3.235 50 0 GGAARN O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)N1CC(c2ccncc2)C1 ZINC000426386945 231212736 /nfs/dbraw/zinc/21/27/36/231212736.db2.gz RTJGFRBVGISELL-UHFFFAOYSA-N 0 0 396.450 3.085 50 0 GGAARN Cc1cc(C)n([C@@H]2CCN(C(=O)NC3CCN(c4ccccc4F)CC3)C2)n1 ZINC000426389575 231213377 /nfs/dbraw/zinc/21/33/77/231213377.db2.gz FMWJBNMUIHQKGF-GOSISDBHSA-N 0 0 385.487 3.264 50 0 GGAARN Cc1cc(C)n(CCCN(C)C(=O)NCc2ccccc2-n2ccnc2C)n1 ZINC000426477537 231224792 /nfs/dbraw/zinc/22/47/92/231224792.db2.gz ILAAEWFSCZWVKX-UHFFFAOYSA-N 0 0 380.496 3.226 50 0 GGAARN Cc1nnc(SCCCNC(=O)N(C)Cc2nc3ccccc3[nH]2)s1 ZINC000426490703 231228807 /nfs/dbraw/zinc/22/88/07/231228807.db2.gz YWYDPHJWEUCGIW-UHFFFAOYSA-N 0 0 376.511 3.047 50 0 GGAARN O=C(NCc1cc(-c2ccccn2)no1)N1CCCC[C@@H]1CCn1ccnc1 ZINC000426493048 231229053 /nfs/dbraw/zinc/22/90/53/231229053.db2.gz BMIAXRVGWKZZSC-MRXNPFEDSA-N 0 0 380.452 3.088 50 0 GGAARN COCc1nc(NCc2ccccc2OC(F)(F)F)cc([C@@H]2CCOC2)n1 ZINC000426503908 231231500 /nfs/dbraw/zinc/23/15/00/231231500.db2.gz BSWXWPJCFXOAEK-CYBMUJFWSA-N 0 0 383.370 3.060 50 0 GGAARN C[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(S(N)(=O)=O)cc3F)c2)C1 ZINC000426510638 231232139 /nfs/dbraw/zinc/23/21/39/231232139.db2.gz NRQLVEZSWJXQCR-CYBMUJFWSA-N 0 0 376.453 3.012 50 0 GGAARN CN(C)c1cc(-c2cccc(C(=O)N(Cc3nccs3)C3CC3)c2)ncn1 ZINC000426641470 231247693 /nfs/dbraw/zinc/24/76/93/231247693.db2.gz GZNIHECJBCPZQU-UHFFFAOYSA-N 0 0 379.489 3.471 50 0 GGAARN Cc1nc[nH]c1C(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@H]1Cc1ccccc1 ZINC000426523255 231235314 /nfs/dbraw/zinc/23/53/14/231235314.db2.gz VOEDVFFIVFXAOD-HXUWFJFHSA-N 0 0 388.471 3.127 50 0 GGAARN Cc1nc(N(C)C)nc(-c2ccc(C(=O)N3CC(c4ccccn4)C3)cc2)c1C ZINC000426523267 231235621 /nfs/dbraw/zinc/23/56/21/231235621.db2.gz XBQDTFSNPSLYGQ-UHFFFAOYSA-N 0 0 387.487 3.461 50 0 GGAARN Cc1nc[nH]c1C(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@@H]1Cc1ccccc1 ZINC000426523254 231235790 /nfs/dbraw/zinc/23/57/90/231235790.db2.gz VOEDVFFIVFXAOD-FQEVSTJZSA-N 0 0 388.471 3.127 50 0 GGAARN O=C(NCC1(CO)CCOCC1)c1ccc(-c2cncc3ccccc32)cc1 ZINC000426533808 231237270 /nfs/dbraw/zinc/23/72/70/231237270.db2.gz PIDXHUIXDLQJKA-UHFFFAOYSA-N 0 0 376.456 3.421 50 0 GGAARN COc1ccc(C2(C(=O)NCc3[nH]cc(C)c(=O)c3C)CCCC2)cc1OC ZINC000426545453 231238085 /nfs/dbraw/zinc/23/80/85/231238085.db2.gz SSGHSAVAAOZLEY-UHFFFAOYSA-N 0 0 384.476 3.137 50 0 GGAARN O=C(Nc1ccccc1)[C@H]1CC12CCN(C(=O)c1onc3c1CCCC3)CC2 ZINC000426552004 231240927 /nfs/dbraw/zinc/24/09/27/231240927.db2.gz PMCQBKBVMCFTAW-QGZVFWFLSA-N 0 0 379.460 3.434 50 0 GGAARN Cc1csc([C@H](C)NC(=O)N2CCC(c3nnc4n3CCCCC4)CC2)n1 ZINC000426567162 231241932 /nfs/dbraw/zinc/24/19/32/231241932.db2.gz WYMAMWBQQOIDDV-AWEZNQCLSA-N 0 0 388.541 3.420 50 0 GGAARN Nc1cccnc1-c1ccc(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)cc1 ZINC000426581015 231244463 /nfs/dbraw/zinc/24/44/63/231244463.db2.gz RRBIWKBHZDKPSQ-QFIPXVFZSA-N 0 0 388.471 3.312 50 0 GGAARN Cc1cccc(OC[C@H]2CCCN(C(=O)NCCc3nncn3C(C)C)C2)c1 ZINC000426612682 231247139 /nfs/dbraw/zinc/24/71/39/231247139.db2.gz VXVWUSLBMUHSRJ-SFHVURJKSA-N 0 0 385.512 3.211 50 0 GGAARN Cc1nccn1CCNC(=O)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000426443255 231223354 /nfs/dbraw/zinc/22/33/54/231223354.db2.gz KDILXSPMXRTPAM-TUNNFDKTSA-N 0 0 382.508 3.053 50 0 GGAARN CSc1n[nH]c(-c2cccc(C(=O)N[C@@H](CCO)c3ccc(C)cc3)c2)n1 ZINC000426445663 231223817 /nfs/dbraw/zinc/22/38/17/231223817.db2.gz RSYXEHDVSKUAJY-KRWDZBQOSA-N 0 0 382.489 3.356 50 0 GGAARN O=C(NC1CC1)c1ccc(-c2cccc(C(=O)NCCc3cn[nH]c3)c2)s1 ZINC000426470789 231223832 /nfs/dbraw/zinc/22/38/32/231223832.db2.gz HIBVURDAPBBZGF-UHFFFAOYSA-N 0 0 380.473 3.003 50 0 GGAARN Cc1nnc([C@H]2CCCN(C(=O)c3ccc(-c4ccccc4CO)cc3)C2)[nH]1 ZINC000426649442 231249211 /nfs/dbraw/zinc/24/92/11/231249211.db2.gz BRSTYEZJHKAINN-SFHVURJKSA-N 0 0 376.460 3.292 50 0 GGAARN O=C(NCCCN1CCCc2ccccc21)c1ccc(-c2ccncc2)[nH]c1=O ZINC000426649659 231249253 /nfs/dbraw/zinc/24/92/53/231249253.db2.gz MIICXQYJTSZXHX-UHFFFAOYSA-N 0 0 388.471 3.422 50 0 GGAARN O=C(NCc1ccno1)c1cccc(-c2ccc(C(=O)N3CCCCC3)o2)c1 ZINC000426651998 231249291 /nfs/dbraw/zinc/24/92/91/231249291.db2.gz NIPBLPCLMIVDRZ-UHFFFAOYSA-N 0 0 379.416 3.491 50 0 GGAARN Cc1cccc(CCNC(=O)c2ccc(-c3ncc(C)c(N(C)C)n3)cc2)n1 ZINC000426683817 231251651 /nfs/dbraw/zinc/25/16/51/231251651.db2.gz MXHJHGMDIFGIJG-UHFFFAOYSA-N 0 0 375.476 3.194 50 0 GGAARN Cn1ccnc1-c1ccc(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)cc1 ZINC000426674182 231251737 /nfs/dbraw/zinc/25/17/37/231251737.db2.gz KCQQSHSCRAZDED-HXUWFJFHSA-N 0 0 376.460 3.068 50 0 GGAARN O=C(NCc1cc2n(n1)CCN(Cc1cccc3cc[nH]c31)C2)C1CCCC1 ZINC000426690577 231252703 /nfs/dbraw/zinc/25/27/03/231252703.db2.gz MIVBEIUAIDGQIO-UHFFFAOYSA-N 0 0 377.492 3.187 50 0 GGAARN CO[C@H](C)CCNC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426689882 231253305 /nfs/dbraw/zinc/25/33/05/231253305.db2.gz PKZZUGFDLSGKKW-GFCCVEGCSA-N 0 0 377.510 3.066 50 0 GGAARN Cc1cccc(C[C@@H](C)NC(=O)N2CCN(c3nc4ccccc4s3)CC2)n1 ZINC000426705527 231253689 /nfs/dbraw/zinc/25/36/89/231253689.db2.gz BMHYUQIEEBILEA-MRXNPFEDSA-N 0 0 395.532 3.463 50 0 GGAARN Cc1ccc(-c2cccc(C(=O)NCCc3noc([C@H]4CCCO4)n3)c2)cn1 ZINC000426701638 231253861 /nfs/dbraw/zinc/25/38/61/231253861.db2.gz PIFQDDAIEIZFIN-GOSISDBHSA-N 0 0 378.432 3.264 50 0 GGAARN Cc1cccc([C@@H](NC(=O)CCCc2nc(-c3cccnc3)no2)C2CC2)n1 ZINC000426701784 231254469 /nfs/dbraw/zinc/25/44/69/231254469.db2.gz YFKGJDINZRXQKX-FQEVSTJZSA-N 0 0 377.448 3.425 50 0 GGAARN Cc1cc2cccc(C(=O)NCc3cc4n(n3)CCN(C(=O)C3CCC3)C4)c2o1 ZINC000426722449 231255543 /nfs/dbraw/zinc/25/55/43/231255543.db2.gz OVZGYTMWGOSTOO-UHFFFAOYSA-N 0 0 392.459 3.010 50 0 GGAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)CCCc1nc(-c2cccnc2)no1 ZINC000426740315 231256383 /nfs/dbraw/zinc/25/63/83/231256383.db2.gz BNCRKXBSWZNXFK-MRXNPFEDSA-N 0 0 381.436 3.423 50 0 GGAARN Cc1cc(CN(C)C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)[nH]n1 ZINC000426730401 231256747 /nfs/dbraw/zinc/25/67/47/231256747.db2.gz KQUFUFJILQOHTJ-UHFFFAOYSA-N 0 0 399.520 3.215 50 0 GGAARN Cc1cc(-c2cccc(C(=O)NC[C@@H]3CCCCO3)c2)nc(N2CCCC2)n1 ZINC000426740351 231257179 /nfs/dbraw/zinc/25/71/79/231257179.db2.gz DMPCDANAIWQLMD-IBGZPJMESA-N 0 0 380.492 3.351 50 0 GGAARN CCc1cc(-c2ccc(C(=O)N[C@@H]3CCOC3)cc2)nc(N2CCCCC2)n1 ZINC000426538613 529502842 /nfs/dbraw/zinc/50/28/42/529502842.db2.gz QNUIKUCRYJHYKI-LJQANCHMSA-N 0 0 380.492 3.215 50 0 GGAARN CC[C@@H](COC)NC(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426519195 529519715 /nfs/dbraw/zinc/51/97/15/529519715.db2.gz GGEGZBMCHKFZDL-AWEZNQCLSA-N 0 0 377.510 3.066 50 0 GGAARN CCc1cccc2c(C(C)=O)cn(CC(=O)N3CCC[C@H]3c3nnc(C)[nH]3)c21 ZINC000426641297 529549158 /nfs/dbraw/zinc/54/91/58/529549158.db2.gz AHXMEOZFDQQVQF-SFHVURJKSA-N 0 0 379.464 3.197 50 0 GGAARN CCc1cccc2c(C(C)=O)cn(CC(=O)N3CCC[C@@H]3c3nnc(C)[nH]3)c21 ZINC000426641296 529549241 /nfs/dbraw/zinc/54/92/41/529549241.db2.gz AHXMEOZFDQQVQF-GOSISDBHSA-N 0 0 379.464 3.197 50 0 GGAARN CCc1ccc(CN2CCc3c(C(=O)N4CC[C@H](OC)C4)csc3C2)nc1 ZINC000426376378 529643645 /nfs/dbraw/zinc/64/36/45/529643645.db2.gz NDWSZIXSJVBCRQ-KRWDZBQOSA-N 0 0 385.533 3.125 50 0 GGAARN CCc1ccc(CN2CCc3c(C(=O)NCc4[nH]cnc4C)csc3C2)nc1 ZINC000426465264 529644191 /nfs/dbraw/zinc/64/41/91/529644191.db2.gz SNYXPZJKPSEWOM-UHFFFAOYSA-N 0 0 395.532 3.225 50 0 GGAARN CCc1ccc(CN2CCc3c(C(=O)NCCOC(C)C)csc3C2)nc1 ZINC000426526273 529644197 /nfs/dbraw/zinc/64/41/97/529644197.db2.gz OJJYVMWJGCVQGB-UHFFFAOYSA-N 0 0 387.549 3.419 50 0 GGAARN CCc1ccc(CN2CCc3c(C(=O)N[C@@H](C)C(C)(C)O)csc3C2)nc1 ZINC000426740557 529644286 /nfs/dbraw/zinc/64/42/86/529644286.db2.gz OTDKMFWNRDSLOB-AWEZNQCLSA-N 0 0 387.549 3.153 50 0 GGAARN CCc1ccc(CN2CCc3c(C(=O)NC[C@H]4CCCO4)csc3C2)nc1 ZINC000426533965 529644964 /nfs/dbraw/zinc/64/49/64/529644964.db2.gz ZNYYGCVENQTZPM-QGZVFWFLSA-N 0 0 385.533 3.173 50 0 GGAARN CC[C@@H](NC(=O)Nc1cc(NS(C)(=O)=O)ccc1C)c1ncccc1C ZINC000426606773 529646362 /nfs/dbraw/zinc/64/63/62/529646362.db2.gz QVXLOVKUTUNBAY-OAHLLOKOSA-N 0 0 376.482 3.343 50 0 GGAARN CCc1ccc(CN(C)C(=O)c2cccc(-c3cc(N(C)C)ncn3)c2)nc1 ZINC000426658163 529635372 /nfs/dbraw/zinc/63/53/72/529635372.db2.gz BWEWEOPRJYYBDL-UHFFFAOYSA-N 0 0 375.476 3.439 50 0 GGAARN CCc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@@H]34)C2O)cc1 ZINC000245324886 529662493 /nfs/dbraw/zinc/66/24/93/529662493.db2.gz BRHTWTJGFOAPDG-XSDIEEQYSA-N 0 0 388.467 3.084 50 0 GGAARN CCc1nc(C)cc(N2CC[C@]3(C2)CCCN(CCc2ccccc2)C3=O)n1 ZINC000426487517 529730576 /nfs/dbraw/zinc/73/05/76/529730576.db2.gz RLYLOUTZFCLDAY-QHCPKHFHSA-N 0 0 378.520 3.409 50 0 GGAARN CN(CC1(CO)CCOCC1)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000426594757 529854640 /nfs/dbraw/zinc/85/46/40/529854640.db2.gz AUAUZXBJWHLWMV-OAQYLSRUSA-N 0 0 382.504 3.401 50 0 GGAARN CN(CCCOc1ccc(Cl)cc1)C(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000426574955 529894816 /nfs/dbraw/zinc/89/48/16/529894816.db2.gz DKXMKPYYSZUPLL-HNNXBMFYSA-N 0 0 395.931 3.397 50 0 GGAARN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)N[C@@H](Cn1cccn1)c1ccccc1 ZINC000426531546 529976555 /nfs/dbraw/zinc/97/65/55/529976555.db2.gz GQWDGPSZPNIYPL-SFHVURJKSA-N 0 0 380.496 3.487 50 0 GGAARN CN(Cc1ccc2nsnc2c1)C(=O)c1ccc(-c2ccncc2)[nH]c1=O ZINC000426372435 529992244 /nfs/dbraw/zinc/99/22/44/529992244.db2.gz YCMCNXOMUISXKU-UHFFFAOYSA-N 0 0 377.429 3.126 50 0 GGAARN CN(Cc1[nH]nc2c1CCCC2)C(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000426472704 530021172 /nfs/dbraw/zinc/02/11/72/530021172.db2.gz HYBRJCQJYSYHEO-UHFFFAOYSA-N 0 0 377.370 3.456 50 0 GGAARN CN1CCN(C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)CC1=O ZINC000426582841 530069677 /nfs/dbraw/zinc/06/96/77/530069677.db2.gz PPCIBNOJOKQUJO-UHFFFAOYSA-N 0 0 378.350 3.166 50 0 GGAARN O=C(NCCn1ccc(-c2cnccn2)n1)C1c2ccccc2Oc2ccccc21 ZINC000253473797 222742027 /nfs/dbraw/zinc/74/20/27/222742027.db2.gz YMCHBAPXUINWMS-UHFFFAOYSA-N 0 0 397.438 3.394 50 0 GGAARN Cc1nc2sccc2c(=O)n1CCNC(=O)C1(c2cccs2)CCCC1 ZINC000253471615 222742751 /nfs/dbraw/zinc/74/27/51/222742751.db2.gz DKBVVTAAXFXIQB-UHFFFAOYSA-N 0 0 387.530 3.456 50 0 GGAARN CC(C)CCOC(=O)CN(CC(=O)OCCC(C)C)c1ccc(C=O)cc1 ZINC000005188461 203756282 /nfs/dbraw/zinc/75/62/82/203756282.db2.gz RDARCZKFBIUTAY-UHFFFAOYSA-N 0 0 377.481 3.484 50 0 GGAARN CNC(=O)c1ccc([C@H]2CCCN2C(=O)CCc2nc3ccccc3[nH]2)s1 ZINC000023619703 203783546 /nfs/dbraw/zinc/78/35/46/203783546.db2.gz 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[NH3+][C@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1 ZINC000000606260 203841070 /nfs/dbraw/zinc/84/10/70/203841070.db2.gz QFFGVLORLPOAEC-JTQLQIEISA-N 0 0 393.846 3.145 50 0 in-vitro GGAARN COc1ccccc1N(CC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O ZINC000000628122 203842206 /nfs/dbraw/zinc/84/22/06/203842206.db2.gz YSCBJHJENSFJKV-UHFFFAOYSA-N 0 0 376.478 3.223 50 0 GGAARN CCOC(=O)c1cnn(-c2ncnc3scc(-c4ccc(F)cc4)c32)c1N ZINC000000632031 203843070 /nfs/dbraw/zinc/84/30/70/203843070.db2.gz FISJOMQHWPLNLW-UHFFFAOYSA-N 0 0 383.408 3.442 50 0 GGAARN O=C(NC1CCCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000634390 203843755 /nfs/dbraw/zinc/84/37/55/203843755.db2.gz JSZQTBXDKCKJFZ-KRWDZBQOSA-N 0 0 384.929 3.332 50 0 GGAARN Cc1c(C(=O)OC(C)C)sc2ncn(CC(=O)Nc3ccc(C)cc3)c(=O)c12 ZINC000000646373 203843958 /nfs/dbraw/zinc/84/39/58/203843958.db2.gz UECBFYMCOGHYIQ-UHFFFAOYSA-N 0 0 399.472 3.279 50 0 GGAARN Cc1c(C(=O)OC(C)C)sc2ncn(CC(=O)Nc3cccc(C)c3)c(=O)c12 ZINC000000646376 203844181 /nfs/dbraw/zinc/84/41/81/203844181.db2.gz MMDSMXJBULRLMM-UHFFFAOYSA-N 0 0 399.472 3.279 50 0 GGAARN COc1cccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc(OC)c2)c1 ZINC000000641401 203844283 /nfs/dbraw/zinc/84/42/83/203844283.db2.gz ZJQDTXCBGMLUFW-SFHVURJKSA-N 0 0 383.473 3.135 50 0 GGAARN COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C)c1 ZINC000000655227 203845053 /nfs/dbraw/zinc/84/50/53/203845053.db2.gz NMIDDIJUWHINLY-LJQANCHMSA-N 0 0 397.500 3.444 50 0 GGAARN CCOC(=O)c1cnc(SCC(=O)Nc2c(CC)cccc2CC)nc1N ZINC000000651187 203845383 /nfs/dbraw/zinc/84/53/83/203845383.db2.gz MRJSZFKLJZIHQH-UHFFFAOYSA-N 0 0 388.493 3.091 50 0 GGAARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000000666383 203847007 /nfs/dbraw/zinc/84/70/07/203847007.db2.gz SAACWUGHHUSPTC-NHYWBVRUSA-N 0 0 385.247 3.344 50 0 GGAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000137790967 203811367 /nfs/dbraw/zinc/81/13/67/203811367.db2.gz VRZZXOREXCUAJR-PCCBWWKXSA-N 0 0 385.423 3.128 50 0 GGAARN Cc1nc2sccc2c(=O)n1CCNC(=O)c1cc(-c2ccc(F)cc2)c[nH]1 ZINC000244970259 203812272 /nfs/dbraw/zinc/81/22/72/203812272.db2.gz HPYHXRNYWOAZQL-UHFFFAOYSA-N 0 0 396.447 3.331 50 0 GGAARN O=C(NCCC1=CCCCC1)C(=O)NCc1ccc([C@H](O)c2ccccc2)s1 ZINC000245187613 203812296 /nfs/dbraw/zinc/81/22/96/203812296.db2.gz ZQULRMKKEFKRIR-HXUWFJFHSA-N 0 0 398.528 3.453 50 0 GGAARN O=C(CCc1nc2ccccc2[nH]1)N1C[C@H](c2ncon2)[C@H](c2ccccc2)C1 ZINC000245039174 203813195 /nfs/dbraw/zinc/81/31/95/203813195.db2.gz OIYGJPNCAFCGHD-IRXDYDNUSA-N 0 0 387.443 3.288 50 0 GGAARN COC(=O)C[C@H](c1ccc(OC)cc1OC)c1oc2ccccc2c(=O)c1O ZINC000253397685 203813606 /nfs/dbraw/zinc/81/36/06/203813606.db2.gz BOSWRTJVWIKROK-OAHLLOKOSA-N 0 0 384.384 3.211 50 0 biogenic GGAARN O=C(NCCOc1ccccc1)NC[C@](O)(c1ccsc1)c1cccs1 ZINC000253399367 203813720 /nfs/dbraw/zinc/81/37/20/203813720.db2.gz IYOKRJKKBPFSLE-IBGZPJMESA-N 0 0 388.514 3.424 50 0 GGAARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccc(Cl)cc2)N2CCCN32)cc1C ZINC000245326448 203814012 /nfs/dbraw/zinc/81/40/12/203814012.db2.gz KFSQEFDKOQQRBS-SLFFLAALSA-N 0 0 395.890 3.492 50 0 GGAARN O=C(NCc1nnc2ccc(-c3cccs3)nn21)c1cc(-c2ccco2)on1 ZINC000253400641 203814418 /nfs/dbraw/zinc/81/44/18/203814418.db2.gz LMUGCSPBJPRULU-UHFFFAOYSA-N 0 0 392.400 3.031 50 0 GGAARN CC[C@@H](C)[C@@H](CO)NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000253400965 203814549 /nfs/dbraw/zinc/81/45/49/203814549.db2.gz FHAIATLENRYGKA-FOIQADDNSA-N 0 0 395.455 3.362 50 0 biogenic GGAARN COC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1cc2cc(C)ccc2[nH]c1=O ZINC000253623680 203815412 /nfs/dbraw/zinc/81/54/12/203815412.db2.gz GAASDCHOMMERFC-ZDUSSCGKSA-N 0 0 381.384 3.378 50 0 biogenic GGAARN COCCn1ccc2c1cccc2OCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000263588853 203819498 /nfs/dbraw/zinc/81/94/98/203819498.db2.gz ZGDKSAVOEIDGNS-UHFFFAOYSA-N 0 0 382.416 3.076 50 0 GGAARN CC(C)[C@H](C(=O)Nc1ccc(N2CCCCS2(=O)=O)cc1)n1cccc1 ZINC000263588034 203820060 /nfs/dbraw/zinc/82/00/60/203820060.db2.gz OEZRIDOIJZNWPT-GOSISDBHSA-N 0 0 375.494 3.254 50 0 GGAARN CCOc1ccccc1CN[C@H]1CNC(=O)c2cc(-c3ccc(F)cc3)nn21 ZINC000263616750 203820714 /nfs/dbraw/zinc/82/07/14/203820714.db2.gz KIQIGPUSGYZHPS-HXUWFJFHSA-N 0 0 380.423 3.120 50 0 GGAARN O=C(NCc1ccc(Cl)cc1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 ZINC000263617126 203820748 /nfs/dbraw/zinc/82/07/48/203820748.db2.gz MEBPEVAJFQDNLQ-KRWDZBQOSA-N 0 0 386.814 3.272 50 0 GGAARN COc1cccc([C@H](O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)c1 ZINC000263619221 203820759 /nfs/dbraw/zinc/82/07/59/203820759.db2.gz XNBZQGWGDYIDOZ-OAQYLSRUSA-N 0 0 375.428 3.214 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)NCc4ccc(Cl)cc4)c3CO2)cc1 ZINC000263617747 203821169 /nfs/dbraw/zinc/82/11/69/203821169.db2.gz PKVLFWHKUWNKRM-SFHVURJKSA-N 0 0 398.850 3.142 50 0 GGAARN COc1ccc(C2(CNC(=O)[C@@H]3COc4ccccc4O3)CCCC2)cc1OC ZINC000000823994 203822231 /nfs/dbraw/zinc/82/22/31/203822231.db2.gz RGOCBNRQBJJYRW-NRFANRHFSA-N 0 0 397.471 3.472 50 0 biogenic GGAARN COC(=O)c1ccc(Oc2coc3cc(OC(=O)N(C)C)ccc3c2=O)cc1 ZINC000001448077 203822363 /nfs/dbraw/zinc/82/23/63/203822363.db2.gz WCPXDNDJZZBPNQ-UHFFFAOYSA-N 0 0 383.356 3.432 50 0 biogenic GGAARN CCC[C@H]([NH3+])[C@@H](O)[C@H](C(=O)OCC1c2ccccc2-c2ccccc21)C([O-])=S ZINC000090414773 203830593 /nfs/dbraw/zinc/83/05/93/203830593.db2.gz UIURKPDSKXKLAW-XUVXKRRUSA-N 0 0 399.512 3.332 50 0 GGAARN CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2ccc(O)cc2)NC(=S)N1 ZINC000001171737 203892686 /nfs/dbraw/zinc/89/26/86/203892686.db2.gz IYZUFTGKJLTUFU-INIZCTEOSA-N 0 0 375.400 3.102 50 0 GGAARN CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1OC ZINC000001170417 203893048 /nfs/dbraw/zinc/89/30/48/203893048.db2.gz MHRSIJCKWYIRJW-BJOHPYRUSA-N 0 0 397.269 3.427 50 0 GGAARN O=C([C@H]1CCCO1)N1CCN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000001165624 203893101 /nfs/dbraw/zinc/89/31/01/203893101.db2.gz YXQUYZKUUZAUSP-CQSZACIVSA-N 0 0 388.320 3.013 50 0 GGAARN Cc1ccc(N(C(=O)c2ccc(Br)o2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000001217490 203898008 /nfs/dbraw/zinc/89/80/08/203898008.db2.gz KXIVBGIBGRSENC-ZDUSSCGKSA-N 0 0 396.262 3.308 50 0 GGAARN COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2ccc(OC)cc2)cc1 ZINC000000672772 203847616 /nfs/dbraw/zinc/84/76/16/203847616.db2.gz OWAJCEHJZKADDI-PMACEKPBSA-N 0 0 382.460 3.175 50 0 GGAARN O=C(NCCc1ccccc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000001211713 203896540 /nfs/dbraw/zinc/89/65/40/203896540.db2.gz LDKXFKSVRKSPFX-HNNXBMFYSA-N 0 0 387.277 3.161 50 0 GGAARN COc1ccc2oc(=O)c(C(=O)N3CCN(c4ccc(C)c(C)c4)CC3)cc2c1 ZINC000000718944 203850711 /nfs/dbraw/zinc/85/07/11/203850711.db2.gz ZESVQLTYVSNFKX-UHFFFAOYSA-N 0 0 392.455 3.381 50 0 GGAARN COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccc(OC(F)(F)F)cc1 ZINC000000720694 203850753 /nfs/dbraw/zinc/85/07/53/203850753.db2.gz FGOWETRGWGGOAW-UHFFFAOYSA-N 0 0 397.349 3.261 50 0 GGAARN COc1ccccc1NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 ZINC000000716554 203850850 /nfs/dbraw/zinc/85/08/50/203850850.db2.gz ZMDFUNASIFKEOO-UHFFFAOYSA-N 0 0 379.445 3.256 50 0 GGAARN CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cc(Br)ccc1C ZINC000000778014 203851638 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COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1Br ZINC000008704475 204284236 /nfs/dbraw/zinc/28/42/36/204284236.db2.gz GPCFDQNWTHDTBL-UHFFFAOYSA-N 0 0 376.253 3.098 50 0 GGAARN C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(I)cc1 ZINC000008714834 204284391 /nfs/dbraw/zinc/28/43/91/204284391.db2.gz XKUBUZHOVXEAFL-GXFFZTMASA-N 0 0 379.263 3.148 50 0 GGAARN CCCOc1cc(S(=O)(=O)NCc2ccncc2)ccc1Br ZINC000008714711 204284451 /nfs/dbraw/zinc/28/44/51/204284451.db2.gz KFAGQNIXXHZPQH-UHFFFAOYSA-N 0 0 385.283 3.111 50 0 GGAARN C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(I)cc1 ZINC000008714833 204284513 /nfs/dbraw/zinc/28/45/13/204284513.db2.gz XKUBUZHOVXEAFL-ZWNOBZJWSA-N 0 0 379.263 3.148 50 0 GGAARN COc1ccc(OC)c(NC(=O)CCc2nc(-c3ccccc3OC)no2)c1 ZINC000008715413 204285525 /nfs/dbraw/zinc/28/55/25/204285525.db2.gz JQXLCZQSZZWJTK-UHFFFAOYSA-N 0 0 383.404 3.334 50 0 GGAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000008722813 204286100 /nfs/dbraw/zinc/28/61/00/204286100.db2.gz YPMHOYKYTFXCAZ-WMZOPIPTSA-N 0 0 382.460 3.310 50 0 GGAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000008722814 204286531 /nfs/dbraw/zinc/28/65/31/204286531.db2.gz YPMHOYKYTFXCAZ-AEFFLSMTSA-N 0 0 382.460 3.310 50 0 GGAARN CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1cccc(SC)c1 ZINC000008728930 204287764 /nfs/dbraw/zinc/28/77/64/204287764.db2.gz CRVDTFHYWQPNPX-OAQYLSRUSA-N 0 0 395.484 3.346 50 0 biogenic GGAARN O=C1C2=C(CN1CCCc1ccccc1)NC(=O)N[C@H]2c1ccc(Cl)cc1 ZINC000008755385 204288970 /nfs/dbraw/zinc/28/89/70/204288970.db2.gz ULLQAPSPHSLQKZ-IBGZPJMESA-N 0 0 381.863 3.423 50 0 GGAARN Cc1c(Cl)cccc1NC(=O)CCNC(=O)N1CC(=O)Nc2ccccc21 ZINC000008769104 204289478 /nfs/dbraw/zinc/28/94/78/204289478.db2.gz JWCFITHJAKOPGS-UHFFFAOYSA-N 0 0 386.839 3.145 50 0 GGAARN CC(C)c1nnc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)s1 ZINC000008768001 204289648 /nfs/dbraw/zinc/28/96/48/204289648.db2.gz MNWRFYKBQLHRQZ-UHFFFAOYSA-N 0 0 375.841 3.113 50 0 GGAARN COc1ccc(Cc2nnc(SCc3nc4ccccc4c(=O)[nH]3)o2)cc1 ZINC000008772834 204289786 /nfs/dbraw/zinc/28/97/86/204289786.db2.gz XEAMBSYASJAWHV-UHFFFAOYSA-N 0 0 380.429 3.198 50 0 GGAARN CCCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccco1 ZINC000008778948 204289967 /nfs/dbraw/zinc/28/99/67/204289967.db2.gz AWIFHMMHKCTDAP-MRXNPFEDSA-N 0 0 375.450 3.129 50 0 GGAARN Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCc3ccc(F)cc3)cc1)CC(=O)N2 ZINC000008770783 204290007 /nfs/dbraw/zinc/29/00/07/204290007.db2.gz JPSRCNKZXCBGHO-KRWDZBQOSA-N 0 0 379.391 3.271 50 0 GGAARN CCN(CC)C(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000008783107 204290111 /nfs/dbraw/zinc/29/01/11/204290111.db2.gz HWIUOKBJXGCYDF-UHFFFAOYSA-N 0 0 387.716 3.281 50 0 GGAARN COc1cccc(NC(=O)Nc2nnc(CC(=O)NCc3ccccc3)s2)c1 ZINC000008769432 204290420 /nfs/dbraw/zinc/29/04/20/204290420.db2.gz YDWVGVDDCVWEPU-UHFFFAOYSA-N 0 0 397.460 3.050 50 0 GGAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 ZINC000008840836 204290817 /nfs/dbraw/zinc/29/08/17/204290817.db2.gz RZUYYLCHEJUQQU-UHFFFAOYSA-N 0 0 388.489 3.431 50 0 GGAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccnc2)N1Cc1cccnc1 ZINC000008845470 204291172 /nfs/dbraw/zinc/29/11/72/204291172.db2.gz DEGKUSGFWUCJNS-OAQYLSRUSA-N 0 0 383.411 3.318 50 0 GGAARN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000008816175 204291204 /nfs/dbraw/zinc/29/12/04/204291204.db2.gz YQAQHNKYVCCOCY-GJZGRUSLSA-N 0 0 398.484 3.439 50 0 GGAARN Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NC[C@@H]2CCCO2)c1=O ZINC000008844311 204291351 /nfs/dbraw/zinc/29/13/51/204291351.db2.gz QYSIKCCMDGGWIB-SFHVURJKSA-N 0 0 389.455 3.023 50 0 GGAARN Cc1ccccc1-n1c(Cn2cnc3ccccc3c2=O)nc2ccccc2c1=O ZINC000008816568 204291413 /nfs/dbraw/zinc/29/14/13/204291413.db2.gz JXHVJAMBWONUHM-UHFFFAOYSA-N 0 0 394.434 3.452 50 0 GGAARN Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)CC(=O)N2 ZINC000008856685 204291653 /nfs/dbraw/zinc/29/16/53/204291653.db2.gz JPSRCNKZXCBGHO-QGZVFWFLSA-N 0 0 379.391 3.271 50 0 GGAARN N1=Nc2nonc2N=Nc2nonc2N=Nc2nonc2N=Nc2nonc21 ZINC000008826545 204291840 /nfs/dbraw/zinc/29/18/40/204291840.db2.gz GOQQNOBSUGXYBB-UHFFFAOYSA-N 0 0 384.196 3.194 50 0 GGAARN CCCCCCN1C(=O)NC(=O)[C@]2(Cc3c4ccccc4ccc3N(C)C2)C1=O ZINC000009090114 204298473 /nfs/dbraw/zinc/29/84/73/204298473.db2.gz INWJJEJEAKBFAN-HSZRJFAPSA-N 0 0 393.487 3.477 50 0 GGAARN CCN1C(=O)c2cccc3cc(S(=O)(=O)N4CCCCCC4)cc(c32)C1=O ZINC000035685736 204292295 /nfs/dbraw/zinc/29/22/95/204292295.db2.gz RQJRPGSQJWPFTG-UHFFFAOYSA-N 0 0 386.473 3.020 50 0 GGAARN COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1cccc(OC)c1 ZINC000008869547 204292852 /nfs/dbraw/zinc/29/28/52/204292852.db2.gz YYNUFNCIKXCTPA-IBGZPJMESA-N 0 0 379.412 3.302 50 0 GGAARN Cc1ccc(OCC(=O)N(C/C=C/c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000008917415 204293170 /nfs/dbraw/zinc/29/31/70/204293170.db2.gz QTEPTVMEALXSTA-FKIZTMCRSA-N 0 0 399.512 3.103 50 0 GGAARN COc1ccc(-c2nonc2NC(=O)COc2ccccc2Cl)cc1OC ZINC000008916920 204293298 /nfs/dbraw/zinc/29/32/98/204293298.db2.gz POIDEKAZGYUWTK-UHFFFAOYSA-N 0 0 389.795 3.425 50 0 GGAARN O=C(N=c1[nH]c2ccc(NC(=O)c3cccnc3)cc2s1)c1cccnc1 ZINC000008969600 204293843 /nfs/dbraw/zinc/29/38/43/204293843.db2.gz WVRHVIKQAOLDJN-UHFFFAOYSA-N 0 0 375.413 3.013 50 0 GGAARN CC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)n1c(=O)[nH]c2ccccc2c1=O ZINC000008971307 204294124 /nfs/dbraw/zinc/29/41/24/204294124.db2.gz OGPGFYKOMOFUNO-HNNXBMFYSA-N 0 0 375.787 3.072 50 0 GGAARN COc1cc(C(=O)N(C)Cc2cc3cc(C)ccc3[nH]c2=O)cc(OC)c1OC ZINC000008964420 204294684 /nfs/dbraw/zinc/29/46/84/204294684.db2.gz SPJNMNCZPXDZAF-UHFFFAOYSA-N 0 0 396.443 3.135 50 0 GGAARN COc1ccc2[nH]cc(CCN3C(=O)c4[nH]nc(C)c4[C@@H]3c3cccnc3)c2c1 ZINC000008992789 204295691 /nfs/dbraw/zinc/29/56/91/204295691.db2.gz LAIDATWLSCWJGX-NRFANRHFSA-N 0 0 387.443 3.391 50 0 GGAARN COc1ccc2c(c1OC)C(=O)N(c1cnn(Cc3ccc(Cl)cc3)c1)C2=O ZINC000008989764 204295867 /nfs/dbraw/zinc/29/58/67/204295867.db2.gz VLYKKKXUKJIIAM-UHFFFAOYSA-N 0 0 397.818 3.403 50 0 GGAARN COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C[C@H]2CCCO2)cc1 ZINC000009010411 204296201 /nfs/dbraw/zinc/29/62/01/204296201.db2.gz IFPFGMNGSJOZFX-HXUWFJFHSA-N 0 0 392.455 3.358 50 0 GGAARN Cc1sc(NC(=O)Cn2cnc3ccccc3c2=O)nc1-c1ccccc1 ZINC000008995667 204296445 /nfs/dbraw/zinc/29/64/45/204296445.db2.gz TYUBGDVPBWWGJS-UHFFFAOYSA-N 0 0 376.441 3.467 50 0 GGAARN Cc1ccc(COc2ccc([C@H]3CC(=O)Nc4nc(C)[nH]c(=O)c43)cc2)cc1 ZINC000008995609 204296579 /nfs/dbraw/zinc/29/65/79/204296579.db2.gz BEUMISMMWVWLPB-GOSISDBHSA-N 0 0 375.428 3.440 50 0 GGAARN COc1ccc(-n2ccc(=O)c(C(=O)Nc3nc4ccc(F)cc4s3)n2)cc1 ZINC000008995525 204296890 /nfs/dbraw/zinc/29/68/90/204296890.db2.gz MLKQFPVUSNLYRH-UHFFFAOYSA-N 0 0 396.403 3.242 50 0 GGAARN CC(C)COc1cc(=O)[nH]c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1 ZINC000009008221 204296950 /nfs/dbraw/zinc/29/69/50/204296950.db2.gz ZCFPYOGBQLHXEQ-UHFFFAOYSA-N 0 0 391.537 3.394 50 0 GGAARN O=C(Nc1cccc(F)c1)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000009042291 204297023 /nfs/dbraw/zinc/29/70/23/204297023.db2.gz MOJCVNZCVCNSQQ-UHFFFAOYSA-N 0 0 395.434 3.274 50 0 GGAARN CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1OC ZINC000009096267 204298581 /nfs/dbraw/zinc/29/85/81/204298581.db2.gz WMRSLTCMJNOYPJ-ZWKOTPCHSA-N 0 0 395.415 3.424 50 0 GGAARN CSc1nc2n(n1)[C@@H](c1cccnc1)C(C(=O)Nc1ccc(F)cc1)=C(C)N2 ZINC000008997311 204297114 /nfs/dbraw/zinc/29/71/14/204297114.db2.gz BSYRKOLJYXBAFS-INIZCTEOSA-N 0 0 396.451 3.462 50 0 GGAARN Nc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc(Br)cc1 ZINC000009049138 204297440 /nfs/dbraw/zinc/29/74/40/204297440.db2.gz BKOMSJNLPHXIGJ-UHFFFAOYSA-N 0 0 376.189 3.003 50 0 GGAARN COc1cccc(-n2nnnc2SCC(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000008020367 204259879 /nfs/dbraw/zinc/25/98/79/204259879.db2.gz PCEAFRJFGCIYFW-UHFFFAOYSA-N 0 0 393.831 3.194 50 0 GGAARN CN(CCc1ccccc1)C(=O)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O ZINC000008091276 204261298 /nfs/dbraw/zinc/26/12/98/204261298.db2.gz LWYWDLYBJVBMKF-NRFANRHFSA-N 0 0 392.430 3.113 50 0 GGAARN COCCN1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc21 ZINC000035588251 204262667 /nfs/dbraw/zinc/26/26/67/204262667.db2.gz 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CCn1c(Cc2cccs2)nnc1SCC(=O)NCCc1ccccc1 ZINC000010305109 204333709 /nfs/dbraw/zinc/33/37/09/204333709.db2.gz AGQSJNDVUYJFOB-UHFFFAOYSA-N 0 0 386.546 3.401 50 0 GGAARN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000010302627 204333735 /nfs/dbraw/zinc/33/37/35/204333735.db2.gz ORLASOUHOBESSO-INIZCTEOSA-N 0 0 388.489 3.479 50 0 GGAARN COc1ccc(OCc2nn3c(COc4ccc(OC)cc4)nnc3s2)cc1 ZINC000010312333 204333742 /nfs/dbraw/zinc/33/37/42/204333742.db2.gz WMFCBNXAIJSVDY-UHFFFAOYSA-N 0 0 398.444 3.361 50 0 GGAARN CCc1nnc(NC(=O)CSc2nnc(Cc3cccs3)n2CC)s1 ZINC000010305149 204333797 /nfs/dbraw/zinc/33/37/97/204333797.db2.gz ZLHSRXXNEBFRAQ-UHFFFAOYSA-N 0 0 394.551 3.095 50 0 GGAARN COc1ccc(Cc2nnc3sc(-c4ccc5c(c4)OCO5)nn23)cc1OC ZINC000010311844 204334059 /nfs/dbraw/zinc/33/40/59/204334059.db2.gz NNECPRHZLDYASE-UHFFFAOYSA-N 0 0 396.428 3.190 50 0 GGAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000010462684 204335673 /nfs/dbraw/zinc/33/56/73/204335673.db2.gz CAZXLKGFQMPXHQ-SFHVURJKSA-N 0 0 391.471 3.304 50 0 GGAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000010462683 204335806 /nfs/dbraw/zinc/33/58/06/204335806.db2.gz CAZXLKGFQMPXHQ-GOSISDBHSA-N 0 0 391.471 3.304 50 0 GGAARN CCOC(=O)c1cccc(NC(=O)CSc2nnc(Cc3ccccc3)[nH]2)c1 ZINC000010475594 204335855 /nfs/dbraw/zinc/33/58/55/204335855.db2.gz DYTBKMRDMOTDFU-UHFFFAOYSA-N 0 0 396.472 3.303 50 0 GGAARN CC(C)Oc1cccc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)c1 ZINC000010471314 204336234 /nfs/dbraw/zinc/33/62/34/204336234.db2.gz HMXQRPTZQLPKFI-UHFFFAOYSA-N 0 0 381.476 3.114 50 0 GGAARN COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2cc(C)cc(C)c2)ccc1O ZINC000009087675 204298717 /nfs/dbraw/zinc/29/87/17/204298717.db2.gz IBPRMLAJDUKZCX-LJQANCHMSA-N 0 0 397.500 3.449 50 0 GGAARN C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2cccc(O)c2)n1C ZINC000009095969 204298723 /nfs/dbraw/zinc/29/87/23/204298723.db2.gz ZQCQRCMDOSXBPW-CYBMUJFWSA-N 0 0 384.461 3.392 50 0 GGAARN COc1ccc(CCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000009095535 204298782 /nfs/dbraw/zinc/29/87/82/204298782.db2.gz LDRRLRFHNINNSG-SFHVURJKSA-N 0 0 382.460 3.175 50 0 biogenic GGAARN Cc1c(OCC(=O)Nc2nc3ccccc3[nH]2)ccc2c3c(c(=O)oc12)CCC3 ZINC000009060364 204298973 /nfs/dbraw/zinc/29/89/73/204298973.db2.gz HUZOCVJNCJFOHZ-UHFFFAOYSA-N 0 0 389.411 3.484 50 0 GGAARN Nc1nc(CN2CCN(c3cccc(Cl)c3)CC2)nc(Nc2ccccc2)n1 ZINC000009090073 204299016 /nfs/dbraw/zinc/29/90/16/204299016.db2.gz ACRDJSRAISSUPV-UHFFFAOYSA-N 0 0 395.898 3.173 50 0 GGAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(C(C)(C)CO)CO2)cc1 ZINC000009134219 204299371 /nfs/dbraw/zinc/29/93/71/204299371.db2.gz AXTKATQWBVUXAR-UHFFFAOYSA-N 0 0 381.428 3.391 50 0 biogenic GGAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc2nsnc21 ZINC000009145262 204299596 /nfs/dbraw/zinc/29/95/96/204299596.db2.gz XAMNOVOEXSMSQT-UHFFFAOYSA-N 0 0 396.501 3.141 50 0 GGAARN CC[C@]1(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2)CCC(=O)NC1=O ZINC000009134251 204299884 /nfs/dbraw/zinc/29/98/84/204299884.db2.gz IBFDDIGRMHXZRR-JOCHJYFZSA-N 0 0 396.443 3.041 50 0 GGAARN Cn1c2ccc(S(=O)(=O)Nc3ccccc3-c3ccccc3)cc2n(C)c1=O ZINC000011615481 204347306 /nfs/dbraw/zinc/34/73/06/204347306.db2.gz VHXCBIMQURZHKP-UHFFFAOYSA-N 0 0 393.468 3.345 50 0 GGAARN CCCCCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C(C)C ZINC000011565916 204347455 /nfs/dbraw/zinc/34/74/55/204347455.db2.gz VBHRIOOMLZKGIX-UHFFFAOYSA-N 0 0 396.553 3.265 50 0 GGAARN CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccccc1 ZINC000011610282 204347652 /nfs/dbraw/zinc/34/76/52/204347652.db2.gz CYRXOVMVIWNDLT-JOCHJYFZSA-N 0 0 377.444 3.260 50 0 biogenic GGAARN Cn1c2oc(NCCc3ccccc3)c(-c3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000011615609 204347802 /nfs/dbraw/zinc/34/78/02/204347802.db2.gz LDAJMVGOOYMLCP-UHFFFAOYSA-N 0 0 393.418 3.291 50 0 GGAARN COc1cccc(-c2c(Nc3ccccc3)oc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000011614780 204347908 /nfs/dbraw/zinc/34/79/08/204347908.db2.gz URXHQPUALHDKON-UHFFFAOYSA-N 0 0 377.400 3.249 50 0 GGAARN CC(C)CC(=O)[C@H]1CCCN(C(=O)c2cn(Cc3c(F)cccc3F)nn2)C1 ZINC000011661472 204348141 /nfs/dbraw/zinc/34/81/41/204348141.db2.gz VDHNXWCKHGIAQG-AWEZNQCLSA-N 0 0 390.434 3.072 50 0 GGAARN COc1cc(C)c(Br)cc1S(=O)(=O)n1cnc2ccccc21 ZINC000011566434 204348176 /nfs/dbraw/zinc/34/81/76/204348176.db2.gz NGENKUDTLJUZQC-UHFFFAOYSA-N 0 0 381.251 3.353 50 0 GGAARN Cc1ccc2nc(CNC(=O)c3cn(Cc4ccc(F)cc4Cl)nn3)cn2c1 ZINC000011661079 204348246 /nfs/dbraw/zinc/34/82/46/204348246.db2.gz HAGREGHCTZFVQR-UHFFFAOYSA-N 0 0 398.829 3.005 50 0 GGAARN O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCC(Oc2cccnc2)CC1 ZINC000011666528 204349266 /nfs/dbraw/zinc/34/92/66/204349266.db2.gz UZCBEDJRAUVQMT-UHFFFAOYSA-N 0 0 397.866 3.058 50 0 GGAARN Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)nnn1-c1ccc(Cl)cc1 ZINC000011666758 204349348 /nfs/dbraw/zinc/34/93/48/204349348.db2.gz RXVJLFMEMXRBIK-UHFFFAOYSA-N 0 0 397.866 3.318 50 0 GGAARN CN(CCOc1ccccc1)C(=O)CCc1nnc(CCc2ccccc2)o1 ZINC000011662477 204349740 /nfs/dbraw/zinc/34/97/40/204349740.db2.gz QRSXOLKGOOCCCS-UHFFFAOYSA-N 0 0 379.460 3.325 50 0 GGAARN O=C(Cc1cccnc1)N1CC[C@@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000011668204 204349743 /nfs/dbraw/zinc/34/97/43/204349743.db2.gz VRGJYFPBAXTZSP-XMMPIXPASA-N 0 0 391.515 3.098 50 0 GGAARN COc1cccc(N2CCN(C(=O)c3ccc4oc(C(C)C)nc4c3)CC2=O)c1 ZINC000011662588 204349836 /nfs/dbraw/zinc/34/98/36/204349836.db2.gz YNOKSTPZGRCHJH-UHFFFAOYSA-N 0 0 393.443 3.449 50 0 GGAARN Cc1nc2ccccc2n1Cc1cc(C(=O)N2CCc3sccc3C2)[nH]n1 ZINC000011664394 204349912 /nfs/dbraw/zinc/34/99/12/204349912.db2.gz SXMKNMDRBYRZIS-UHFFFAOYSA-N 0 0 377.473 3.376 50 0 GGAARN O=C(Cc1cccnc1)N1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000011668205 204349927 /nfs/dbraw/zinc/34/99/27/204349927.db2.gz VRGJYFPBAXTZSP-DEOSSOPVSA-N 0 0 391.515 3.098 50 0 GGAARN COC(=O)[C@H]1CCCCN1C(=O)c1csc2nc(-c3ccccc3F)cn12 ZINC000011664256 204349932 /nfs/dbraw/zinc/34/99/32/204349932.db2.gz LBVVVKHTABEZGI-OAHLLOKOSA-N 0 0 387.436 3.370 50 0 GGAARN O=C(NCCc1ccncc1)c1coc(COc2ccc(F)cc2Cl)n1 ZINC000011665177 204350172 /nfs/dbraw/zinc/35/01/72/204350172.db2.gz IXKVUKXUEAJWSU-UHFFFAOYSA-N 0 0 375.787 3.414 50 0 GGAARN CCOC(=O)c1ccccc1NC(=O)c1nnn(-c2ccccc2OC)c1C ZINC000011690145 204350492 /nfs/dbraw/zinc/35/04/92/204350492.db2.gz ONIXHFQPXSBWPX-UHFFFAOYSA-N 0 0 380.404 3.013 50 0 GGAARN O=C1CCCN1CC[C@@H]1CCCCN1Cc1nc(Cc2cccc(F)c2)no1 ZINC000011716978 204350537 /nfs/dbraw/zinc/35/05/37/204350537.db2.gz XMXOSCRUTNWRAN-SFHVURJKSA-N 0 0 386.471 3.167 50 0 GGAARN COc1ccccc1NC(=O)[C@@H](C)Sc1nnnn1-c1ccccc1Cl ZINC000011692791 204350568 /nfs/dbraw/zinc/35/05/68/204350568.db2.gz CAGALISZCJCYOF-LLVKDONJSA-N 0 0 389.868 3.444 50 0 GGAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2cnc(N)nc2)CC1 ZINC000011713035 204350916 /nfs/dbraw/zinc/35/09/16/204350916.db2.gz UAJWXQWCKCFQTG-UHFFFAOYSA-N 0 0 388.899 3.100 50 0 GGAARN CCOc1ccc(-n2nnc(C(=O)Nc3cccc(C(=O)OC)c3)c2C)cc1 ZINC000011690643 204350983 /nfs/dbraw/zinc/35/09/83/204350983.db2.gz KQDBJYLGPIRVNJ-UHFFFAOYSA-N 0 0 380.404 3.013 50 0 GGAARN CCOc1ccccc1-n1nnc(C(=O)Nc2cccc(C(=O)OC)c2)c1C ZINC000011690359 204351106 /nfs/dbraw/zinc/35/11/06/204351106.db2.gz XBWSQWQVPQYTOI-UHFFFAOYSA-N 0 0 380.404 3.013 50 0 GGAARN O=C(NCCOc1ccc(F)cc1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000011707144 204351289 /nfs/dbraw/zinc/35/12/89/204351289.db2.gz XTQWXBZMWQFCDC-QGZVFWFLSA-N 0 0 376.472 3.140 50 0 GGAARN CCOc1ccc(NC(=O)CCSc2nnnn2-c2ccccc2C)cc1 ZINC000011690375 204351343 /nfs/dbraw/zinc/35/13/43/204351343.db2.gz AYTCGWKPSTXJKO-UHFFFAOYSA-N 0 0 383.477 3.490 50 0 GGAARN COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2cnsn2)cc1 ZINC000011700288 204351346 /nfs/dbraw/zinc/35/13/46/204351346.db2.gz VNDFXULAHGLLOY-HNNXBMFYSA-N 0 0 383.477 3.176 50 0 GGAARN COc1cc2c(cc1OC)CN(C(=O)c1cn(CCC3CCCCC3)nn1)CC2 ZINC000011714098 204351373 /nfs/dbraw/zinc/35/13/73/204351373.db2.gz KFIHHTIYKZAPOT-UHFFFAOYSA-N 0 0 398.507 3.464 50 0 GGAARN COC[C@H]1CCN(C(=O)c2cn(C(c3ccccc3)c3ccccc3)nn2)C1 ZINC000011759939 204352349 /nfs/dbraw/zinc/35/23/49/204352349.db2.gz BUPHGRDGDVFENI-KRWDZBQOSA-N 0 0 376.460 3.024 50 0 GGAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)CCc2cnccn2)C1 ZINC000011753974 204352353 /nfs/dbraw/zinc/35/23/53/204352353.db2.gz AKGBODBCOLQKOX-IBGZPJMESA-N 0 0 375.476 3.425 50 0 GGAARN CN(Cc1cccnc1)C(=O)[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000011753563 204352849 /nfs/dbraw/zinc/35/28/49/204352849.db2.gz WZWOSYWAWKQXEN-SFHVURJKSA-N 0 0 385.895 3.175 50 0 GGAARN O=C(NCCc1cnn(-c2ccccc2)c1)c1cc(COc2ccccc2)on1 ZINC000011773541 204352902 /nfs/dbraw/zinc/35/29/02/204352902.db2.gz YGGKVCKCHHBBCP-UHFFFAOYSA-N 0 0 388.427 3.412 50 0 GGAARN Cc1nc(CN(C)C(=O)c2cc(Cn3c(C)nc4ccccc43)on2)cs1 ZINC000011753739 204353136 /nfs/dbraw/zinc/35/31/36/204353136.db2.gz FEVNQRNEXJBFFA-UHFFFAOYSA-N 0 0 381.461 3.418 50 0 GGAARN COc1ccc(CN(C(=O)[C@@H]2CCCO2)C2CC2)cc1OCCc1ccccn1 ZINC000011791000 204353558 /nfs/dbraw/zinc/35/35/58/204353558.db2.gz NKGSQPWQMJTSOE-NRFANRHFSA-N 0 0 396.487 3.382 50 0 GGAARN CN(Cc1cnc2ccccn12)C(=O)c1coc(COc2ccccc2F)n1 ZINC000011817118 204353628 /nfs/dbraw/zinc/35/36/28/204353628.db2.gz IWTYJVXAMSEEPO-UHFFFAOYSA-N 0 0 380.379 3.313 50 0 GGAARN CC1(C)C(=O)NCCN1C(=O)C[C@H](c1cccc(O)c1)c1cccc(Cl)c1 ZINC000011817499 204353963 /nfs/dbraw/zinc/35/39/63/204353963.db2.gz RETUJILRKABBCU-SFHVURJKSA-N 0 0 386.879 3.305 50 0 GGAARN COCCn1c(CN2CCC[C@@H](C)C2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000011818408 204354278 /nfs/dbraw/zinc/35/42/78/204354278.db2.gz ZGLXZXHIRWSAFK-QGZVFWFLSA-N 0 0 397.585 3.115 50 0 GGAARN CN(CCc1nc2ccccc2[nH]1)C(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000011820040 204354955 /nfs/dbraw/zinc/35/49/55/204354955.db2.gz BGXZZCOTZPPSPV-UHFFFAOYSA-N 0 0 394.866 3.171 50 0 GGAARN COc1cc(C[C@@]2(CCC(=O)N3CCC[C@@H](C)C3)CCC(=O)N2)ccc1F ZINC000012159401 204377972 /nfs/dbraw/zinc/37/79/72/204377972.db2.gz HUVZJNWBSHTSTQ-VFNWGFHPSA-N 0 0 376.472 3.064 50 0 GGAARN CCCCn1c(CN(C)[C@@H](C)c2ccon2)cnc1S(=O)(=O)CC1CCC1 ZINC000011819689 204355021 /nfs/dbraw/zinc/35/50/21/204355021.db2.gz GNATVSWQBVWJSY-HNNXBMFYSA-N 0 0 394.541 3.438 50 0 GGAARN Cc1c(CC(=O)NCCc2c[nH]cn2)c2c(n1CC(C)C)CC(C)(C)CC2=O 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O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccccn1 ZINC000037866328 205030813 /nfs/dbraw/zinc/03/08/13/205030813.db2.gz FVODTDVWMUGIIZ-UHFFFAOYSA-N 0 0 388.456 3.455 50 0 GGAARN CC1(C)C[C@H](NC(=O)[C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)CCO1 ZINC000072325691 205030818 /nfs/dbraw/zinc/03/08/18/205030818.db2.gz RFSOWLANEMMAJO-ZWKOTPCHSA-N 0 0 383.492 3.094 50 0 biogenic GGAARN FC(F)(F)c1nnc2sc(-c3ccc(I)cc3)nn21 ZINC000073634359 205031256 /nfs/dbraw/zinc/03/12/56/205031256.db2.gz CIOCXOZSUQYROX-UHFFFAOYSA-N 0 0 396.135 3.476 50 0 GGAARN COc1cc(C(=O)NCc2ccc(Br)cc2)cc(OC)c1OC ZINC000072027900 205031754 /nfs/dbraw/zinc/03/17/54/205031754.db2.gz QSMPFPFXVBLNMN-UHFFFAOYSA-N 0 0 380.238 3.405 50 0 GGAARN O=C(N[C@@H]1CCN(Cc2noc(-c3ccccc3)n2)C1)c1ccc(F)c(F)c1 ZINC000077100816 205032079 /nfs/dbraw/zinc/03/20/79/205032079.db2.gz LZXFCNGIJNLPAP-OAHLLOKOSA-N 0 0 384.386 3.019 50 0 GGAARN O=C(NC(=S)Nc1cc2c(cc1Br)OCO2)c1ccccc1 ZINC000077099353 205032182 /nfs/dbraw/zinc/03/21/82/205032182.db2.gz 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Cc1cc(C)n(C(=O)c2sccc2S(=O)(=O)N(C)c2cccc(C)c2)n1 ZINC000038654855 205037210 /nfs/dbraw/zinc/03/72/10/205037210.db2.gz CVBJPZAVLVFAAU-UHFFFAOYSA-N 0 0 389.502 3.383 50 0 GGAARN Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c1 ZINC000038528664 205037338 /nfs/dbraw/zinc/03/73/38/205037338.db2.gz BXSVQKZIYVUNJA-UHFFFAOYSA-N 0 0 394.523 3.438 50 0 GGAARN COc1ccc(-n2ccnc(NC(=O)NCCc3ccccc3)c2=O)cc1Cl ZINC000038487460 205037514 /nfs/dbraw/zinc/03/75/14/205037514.db2.gz GJGNQADLSNEIHK-UHFFFAOYSA-N 0 0 398.850 3.259 50 0 GGAARN O=C(Nc1cccc(Cl)c1)N1CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000038528320 205037715 /nfs/dbraw/zinc/03/77/15/205037715.db2.gz UWMVSOVKCHFITH-UHFFFAOYSA-N 0 0 386.887 3.084 50 0 GGAARN Cc1cc2c(cnc3ncnn32)c(=O)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000038783948 205038472 /nfs/dbraw/zinc/03/84/72/205038472.db2.gz IOQFOZVWQPJCSO-UHFFFAOYSA-N 0 0 379.729 3.409 50 0 GGAARN COCCN1CN(c2cc(Cl)cc(Cl)c2)c2nc(C)c(C)c(=O)n2C1 ZINC000038830195 205038654 /nfs/dbraw/zinc/03/86/54/205038654.db2.gz 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COc1ccc2c(c1)c(C(=O)Cn1nc(-c3ccco3)ccc1=O)c(C)n2C ZINC000040312942 205061177 /nfs/dbraw/zinc/06/11/77/205061177.db2.gz QZJPYLUOOCJIRS-UHFFFAOYSA-N 0 0 377.400 3.195 50 0 biogenic GGAARN Cn1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cc2oc(-c3ccccc3Cl)cc21 ZINC000040286144 205061201 /nfs/dbraw/zinc/06/12/01/205061201.db2.gz HZPVUEFYIFZLFP-NSHDSACASA-N 0 0 392.864 3.009 50 0 GGAARN CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccc(F)cc1 ZINC000040288375 205061255 /nfs/dbraw/zinc/06/12/55/205061255.db2.gz AJGSEPFFIMDDTG-OAQYLSRUSA-N 0 0 381.407 3.152 50 0 GGAARN CC(C)CNC(=O)CCC(=O)N1CCC(c2noc3ccc(F)cc32)CC1 ZINC000040282831 205061424 /nfs/dbraw/zinc/06/14/24/205061424.db2.gz KANPTYCNJYLCQU-UHFFFAOYSA-N 0 0 375.444 3.225 50 0 GGAARN COCc1nnc(NC(=O)Cn2ccc3ccc(Br)cc32)s1 ZINC000040282989 205061564 /nfs/dbraw/zinc/06/15/64/205061564.db2.gz VTOXGXMYPNKPHJ-UHFFFAOYSA-N 0 0 381.255 3.040 50 0 GGAARN Cc1nc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C(C)C)sc1C ZINC000040287491 205061637 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Cc1nn2c(ncc3c2ccn(C[C@@H]2CCCO2)c3=O)c1-c1ccc(F)cc1 ZINC000040397042 205064079 /nfs/dbraw/zinc/06/40/79/205064079.db2.gz GLDKYALBXKGAIW-INIZCTEOSA-N 0 0 378.407 3.338 50 0 GGAARN COCc1nn2c(nnc3c2ccn(C(C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396070 205064266 /nfs/dbraw/zinc/06/42/66/205064266.db2.gz FUQQTAGVNCLXLY-UHFFFAOYSA-N 0 0 383.839 3.487 50 0 GGAARN Cc1nn2c(ncc3c(=O)n(CCc4c[nH]cn4)ccc32)c1-c1ccc(F)cc1 ZINC000040396991 205064408 /nfs/dbraw/zinc/06/44/08/205064408.db2.gz UQNDYLCHFOOJQG-UHFFFAOYSA-N 0 0 388.406 3.125 50 0 GGAARN CCc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CC(C)C)c2=O)cc1 ZINC000040478565 205066637 /nfs/dbraw/zinc/06/66/37/205066637.db2.gz UMUHIOUPWMIUGM-UHFFFAOYSA-N 0 0 379.460 3.020 50 0 GGAARN CSc1cccc(NC(=O)Cn2c3ccccc3c(=O)n(CC(C)C)c2=O)c1 ZINC000040478597 205066784 /nfs/dbraw/zinc/06/67/84/205066784.db2.gz HXTUJHGWXUHRQX-UHFFFAOYSA-N 0 0 397.500 3.180 50 0 GGAARN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(CC(C)C)c1=O ZINC000040478587 205066895 /nfs/dbraw/zinc/06/68/95/205066895.db2.gz 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/nfs/dbraw/zinc/06/76/55/205067655.db2.gz XVKDDAUUWNSYLB-UHFFFAOYSA-N 0 0 385.851 3.111 50 0 GGAARN CCc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(CC(C)C)c1=O ZINC000040478598 205067754 /nfs/dbraw/zinc/06/77/54/205067754.db2.gz YSDYTTVIGXXEJD-UHFFFAOYSA-N 0 0 393.487 3.329 50 0 GGAARN CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(O)c1 ZINC000040485092 205067891 /nfs/dbraw/zinc/06/78/91/205067891.db2.gz MTGYUEILYACYAK-IBGZPJMESA-N 0 0 391.431 3.310 50 0 GGAARN COc1ccc(/C=C/c2nn3c(CN4CCCCC4)nnc3s2)cc1OC ZINC000039389257 205042403 /nfs/dbraw/zinc/04/24/03/205042403.db2.gz SUFNTIJMGYXAFQ-VQHVLOKHSA-N 0 0 385.493 3.359 50 0 GGAARN CSc1ncc(Cl)c(C(=O)NCCC(=O)Nc2ccc(Cl)cc2)n1 ZINC000041156244 205078881 /nfs/dbraw/zinc/07/88/81/205078881.db2.gz ULRIDBZOFQJAMX-UHFFFAOYSA-N 0 0 385.276 3.264 50 0 GGAARN COc1cccc(-c2ccc(=O)n(CCC(=O)N[C@H](C)c3ccc(F)cc3)n2)c1 ZINC000041254124 205078910 /nfs/dbraw/zinc/07/89/10/205078910.db2.gz UZGNZABMZNQFIG-OAHLLOKOSA-N 0 0 395.434 3.326 50 0 GGAARN 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GGAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2ccccc2Cl)n1 ZINC000049550998 205128795 /nfs/dbraw/zinc/12/87/95/205128795.db2.gz VRQJUVNNUWKZMF-UHFFFAOYSA-N 0 0 387.798 3.350 50 0 GGAARN CCc1ccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)cc1 ZINC000045970209 205099962 /nfs/dbraw/zinc/09/99/62/205099962.db2.gz RSJYZMUNWWTQFC-UHFFFAOYSA-N 0 0 397.504 3.044 50 0 GGAARN Cc1ccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)c(C)c1 ZINC000045970147 205100950 /nfs/dbraw/zinc/10/09/50/205100950.db2.gz RMRWNQLIHJRODJ-UHFFFAOYSA-N 0 0 397.504 3.099 50 0 GGAARN COc1ccc(-c2noc(-c3ccc(N(C)CCc4cn[nH]c4)nc3)n2)cc1 ZINC000046055066 205103445 /nfs/dbraw/zinc/10/34/45/205103445.db2.gz SFDFPPFPKBLRCX-UHFFFAOYSA-N 0 0 376.420 3.209 50 0 GGAARN CCCSc1ncc(Cl)c(C(=O)NCC(=O)Nc2ccccc2C)n1 ZINC000046086741 205104205 /nfs/dbraw/zinc/10/42/05/205104205.db2.gz YISRLCIFWPYARD-UHFFFAOYSA-N 0 0 378.885 3.309 50 0 GGAARN CSc1ncc(Cl)c(C(=O)NCCCC(=O)Nc2ccc(F)cc2)n1 ZINC000046086016 205104388 /nfs/dbraw/zinc/10/43/88/205104388.db2.gz 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/nfs/dbraw/zinc/13/91/60/205139160.db2.gz AEEMLCIFNUFQKI-UHFFFAOYSA-N 0 0 375.675 3.284 50 0 GGAARN Cc1cc(S(=O)(=O)NCC(C)C)c(Br)cc1Br ZINC000054362956 205139956 /nfs/dbraw/zinc/13/99/56/205139956.db2.gz HDDXQKFNBXRFFE-UHFFFAOYSA-N 0 0 385.121 3.454 50 0 GGAARN CC[C@H](C)[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc2ccccc2[nH]1 ZINC000054634817 205140082 /nfs/dbraw/zinc/14/00/82/205140082.db2.gz YLSFGXBCRDVSPV-RBZFPXEDSA-N 0 0 389.459 3.246 50 0 GGAARN COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccccc1)C3 ZINC000054278176 205140320 /nfs/dbraw/zinc/14/03/20/205140320.db2.gz GALGFNNOQOIMCW-UHFFFAOYSA-N 0 0 393.439 3.477 50 0 biogenic GGAARN O=C(CCc1nc(-c2ccncc2)no1)NCCCn1ccc2ccccc21 ZINC000054548575 205140379 /nfs/dbraw/zinc/14/03/79/205140379.db2.gz LKFCFAKLIFAFSN-UHFFFAOYSA-N 0 0 375.432 3.225 50 0 GGAARN Cc1ccccc1-c1noc(CCC(=O)N(C)Cc2[nH]nc3c2CCCC3)n1 ZINC000055072463 205140776 /nfs/dbraw/zinc/14/07/76/205140776.db2.gz URKTWZZGFKJHKB-UHFFFAOYSA-N 0 0 379.464 3.238 50 0 GGAARN Fc1ccccc1Cn1cc(NC(=S)N2CCN(Cc3ccco3)CC2)cn1 ZINC000054972831 205140872 /nfs/dbraw/zinc/14/08/72/205140872.db2.gz PSIREXIEEZYLAK-UHFFFAOYSA-N 0 0 399.495 3.178 50 0 GGAARN COC(=O)c1ccccc1NC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000055057247 205141092 /nfs/dbraw/zinc/14/10/92/205141092.db2.gz HYKPORUPQAPRPZ-JXMROGBWSA-N 0 0 379.460 3.336 50 0 GGAARN CCOC(=O)c1cn(Cc2cc(C3CC3)n[nH]2)cc(Oc2ccccc2)c1=O ZINC000055042462 205141636 /nfs/dbraw/zinc/14/16/36/205141636.db2.gz JTLIXMIXEBNXPW-UHFFFAOYSA-N 0 0 379.416 3.466 50 0 GGAARN CCC(=O)Nc1cccc(OCC(=O)NCc2cn3c(C)c(C)sc3n2)c1 ZINC000055060523 205142094 /nfs/dbraw/zinc/14/20/94/205142094.db2.gz YPJIYTIRGRBAOI-UHFFFAOYSA-N 0 0 386.477 3.056 50 0 GGAARN CCC[C@@H](Nc1ncnc2ccccc21)C(=O)N1CC(n2nc(C)cc2C)C1 ZINC000055089428 205142220 /nfs/dbraw/zinc/14/22/20/205142220.db2.gz KUGKNRPZLBMEOG-LJQANCHMSA-N 0 0 378.480 3.107 50 0 GGAARN COCCN(Cc1ccc(C)cc1)C(=O)[C@@H](C)c1n[nH]c(=O)c2ccccc21 ZINC000055182473 205142820 /nfs/dbraw/zinc/14/28/20/205142820.db2.gz 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205143765 /nfs/dbraw/zinc/14/37/65/205143765.db2.gz FRIOZVHRQHLURX-UHFFFAOYSA-N 0 0 380.492 3.261 50 0 GGAARN Cc1cc(=O)n(CC(=O)NCc2ccc(F)c(Cl)c2)c(-c2ccccc2)n1 ZINC000057526599 205159097 /nfs/dbraw/zinc/15/90/97/205159097.db2.gz GMDXEFWWEMVYBB-UHFFFAOYSA-N 0 0 385.826 3.328 50 0 GGAARN CCCC(=O)Nc1ccc(CC(=O)N[C@@H](C)c2nc(-c3cccnc3)no2)cc1 ZINC000055100158 205143951 /nfs/dbraw/zinc/14/39/51/205143951.db2.gz SLLYGOXKMMCZKV-AWEZNQCLSA-N 0 0 393.447 3.290 50 0 GGAARN Cc1c(C(=O)N2CCN(C(C)C)CC2)sc2ncnc(NCc3ccco3)c12 ZINC000055166166 205144079 /nfs/dbraw/zinc/14/40/79/205144079.db2.gz VLPCYYZTNWZORA-UHFFFAOYSA-N 0 0 399.520 3.371 50 0 GGAARN CCOC(=O)C[C@@H](NC(=O)c1ccc(NC(=O)C2CCC2)cc1)C(F)(F)F ZINC000055197954 205144396 /nfs/dbraw/zinc/14/43/96/205144396.db2.gz WECKYRLWNXKPDV-CQSZACIVSA-N 0 0 386.370 3.039 50 0 GGAARN O=C(CCC(=O)NC1CCCCCC1)NCCc1cnn(-c2ccccc2)c1 ZINC000055198914 205144422 /nfs/dbraw/zinc/14/44/22/205144422.db2.gz BSNYCMDCZXQVEY-UHFFFAOYSA-N 0 0 382.508 3.150 50 0 GGAARN CCOC(=O)C1=C(CN2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000055220579 205145452 /nfs/dbraw/zinc/14/54/52/205145452.db2.gz ZGOMKRUTEYVKMA-SCLBCKFNSA-N 0 0 391.899 3.386 50 0 GGAARN C[C@@H](NC(=O)N1CCC(n2cc(-c3cccnc3)nn2)CC1)c1ccccc1 ZINC000055225576 205145787 /nfs/dbraw/zinc/14/57/87/205145787.db2.gz UZLSBJGLZOLBCP-MRXNPFEDSA-N 0 0 376.464 3.448 50 0 GGAARN CCn1ncc(NC(=O)Cn2ncc3cc(-c4cccc(F)c4F)ccc32)n1 ZINC000055183129 205146045 /nfs/dbraw/zinc/14/60/45/205146045.db2.gz MGBVFNZQLVCBLR-UHFFFAOYSA-N 0 0 382.374 3.232 50 0 GGAARN CC(C)(C)c1cn(CC2CCN(C(=O)c3cccc4nccnc43)CC2)nn1 ZINC000055252830 205146106 /nfs/dbraw/zinc/14/61/06/205146106.db2.gz HDGXGIDDBLOHBV-UHFFFAOYSA-N 0 0 378.480 3.071 50 0 GGAARN CC(C)c1cc(C(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)nc2ncnn21 ZINC000055255031 205146120 /nfs/dbraw/zinc/14/61/20/205146120.db2.gz HXWCFOHIKPVLSE-HNNXBMFYSA-N 0 0 385.493 3.131 50 0 GGAARN COc1ccc(CCNC(=O)c2cc(NC(C)=O)ccc2Cl)cc1OC ZINC000055199142 205146156 /nfs/dbraw/zinc/14/61/56/205146156.db2.gz RWSWJYWSJWEAQH-UHFFFAOYSA-N 0 0 376.840 3.288 50 0 GGAARN CSc1ncc(CNC(=O)c2ccc(NC(=O)c3ccoc3C)cc2)n1C ZINC000055198568 205146219 /nfs/dbraw/zinc/14/62/19/205146219.db2.gz FGEQXJLXFKYQRX-UHFFFAOYSA-N 0 0 384.461 3.226 50 0 GGAARN CCc1cc(=O)n(CC(=O)Nc2ccc(OC)c(OC)c2)c(-c2ccccc2)n1 ZINC000057527272 205159175 /nfs/dbraw/zinc/15/91/75/205159175.db2.gz DDKDJAGTLVZFRB-UHFFFAOYSA-N 0 0 393.443 3.129 50 0 GGAARN CCOc1ccc(CCCNC(=O)c2c[nH]c(=O)c(Cl)c2)cc1OCC ZINC000055282942 205146654 /nfs/dbraw/zinc/14/66/54/205146654.db2.gz MORKUOJLGAGEHT-UHFFFAOYSA-N 0 0 378.856 3.188 50 0 GGAARN CCn1cc(C(=O)N(Cc2ccccn2)CC(C)C)c(=O)c2ccc(C)nc21 ZINC000055343508 205147288 /nfs/dbraw/zinc/14/72/88/205147288.db2.gz HILCMASQMAGELA-UHFFFAOYSA-N 0 0 378.476 3.418 50 0 GGAARN CCOc1cccc(CN(C(=O)c2cccc(NC(=O)COC)c2)C2CC2)c1 ZINC000055343557 205147311 /nfs/dbraw/zinc/14/73/11/205147311.db2.gz CFUCCGMICYMWQZ-UHFFFAOYSA-N 0 0 382.460 3.475 50 0 GGAARN CCCCC(=O)Nc1ccc(NC(=O)Cc2nnc(-c3cccnc3)[nH]2)cc1 ZINC000055281677 205147389 /nfs/dbraw/zinc/14/73/89/205147389.db2.gz DWVIAAOMNUULJU-UHFFFAOYSA-N 0 0 378.436 3.177 50 0 GGAARN CC[C@@H](C)N(Cc1cccnc1)C(=O)c1ccc(NS(=O)(=O)CC)cc1 ZINC000055344465 205147482 /nfs/dbraw/zinc/14/74/82/205147482.db2.gz CEZUWSLFXJCIOL-OAHLLOKOSA-N 0 0 375.494 3.284 50 0 GGAARN COCc1nc(CNC(=O)c2cccnc2SC/C=C/c2ccccc2)no1 ZINC000055283470 205147577 /nfs/dbraw/zinc/14/75/77/205147577.db2.gz CFNXXGIVBAQCAV-RMKNXTFCSA-N 0 0 396.472 3.347 50 0 GGAARN Cc1cc(C(=O)N2CCCN(c3ncccn3)CC2)c2ccc(C)c(C)c2n1 ZINC000055271774 205147716 /nfs/dbraw/zinc/14/77/16/205147716.db2.gz GLOUKBRLIMKRCB-UHFFFAOYSA-N 0 0 375.476 3.303 50 0 GGAARN Cc1cccc(NC(=O)CC(=O)N(C)Cc2cccc(-n3cccn3)c2)c1C ZINC000055369002 205147867 /nfs/dbraw/zinc/14/78/67/205147867.db2.gz DUVKMXADUCGWAO-UHFFFAOYSA-N 0 0 376.460 3.476 50 0 GGAARN CC(C)c1noc([C@H]2CCCN2C(=O)c2cn3c4c(cccc4c2=O)CC3)n1 ZINC000055308237 205147923 /nfs/dbraw/zinc/14/79/23/205147923.db2.gz APPUYWFGUBDTED-MRXNPFEDSA-N 0 0 378.432 3.041 50 0 GGAARN CCCn1nccc1C(=O)N(Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055326292 205147956 /nfs/dbraw/zinc/14/79/56/205147956.db2.gz YZDWNIYEFTWNAT-UHFFFAOYSA-N 0 0 378.432 3.259 50 0 GGAARN CC[C@H](C)N(Cc1cccnc1)C(=O)c1ccc(NS(=O)(=O)CC)cc1 ZINC000055344469 205147987 /nfs/dbraw/zinc/14/79/87/205147987.db2.gz CEZUWSLFXJCIOL-HNNXBMFYSA-N 0 0 375.494 3.284 50 0 GGAARN COC(=O)c1ccc(-c2noc(CN(C)Cc3ccc4nccnc4c3)n2)cc1 ZINC000055341946 205148068 /nfs/dbraw/zinc/14/80/68/205148068.db2.gz XWSLWKWSHOTDOT-UHFFFAOYSA-N 0 0 389.415 3.098 50 0 GGAARN CCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1nccs1 ZINC000057523206 205159209 /nfs/dbraw/zinc/15/92/09/205159209.db2.gz SQGVQDKRPVEZGS-UHFFFAOYSA-N 0 0 386.458 3.350 50 0 GGAARN Cc1cc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c(=O)c2[nH]1 ZINC000057520764 205159247 /nfs/dbraw/zinc/15/92/47/205159247.db2.gz NGOFIXQJROHCTB-UHFFFAOYSA-N 0 0 382.367 3.309 50 0 GGAARN CCOC(=O)c1cn(CCc2c(C)n[nH]c2C)cc(Oc2ccccc2)c1=O ZINC000055393374 205148781 /nfs/dbraw/zinc/14/87/81/205148781.db2.gz 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COc1ccccc1-n1cc(-c2ccnc(NCCc3cscn3)n2)cn1 ZINC000055412973 205149453 /nfs/dbraw/zinc/14/94/53/205149453.db2.gz HPFXCABVCJMAAI-UHFFFAOYSA-N 0 0 378.461 3.449 50 0 GGAARN CCc1cc(=O)n(CC(=O)NCc2ccc(C)cc2)c(-c2ccc(F)cc2)n1 ZINC000057508609 205159280 /nfs/dbraw/zinc/15/92/80/205159280.db2.gz YXKWRNCSMTXFIL-UHFFFAOYSA-N 0 0 379.435 3.237 50 0 GGAARN CC(C)N(Cc1cnn(C)c1)C(=O)CCSc1ccc2c(c1)OCCO2 ZINC000055393655 205149810 /nfs/dbraw/zinc/14/98/10/205149810.db2.gz QHQISPKAKDRAQN-UHFFFAOYSA-N 0 0 375.494 3.111 50 0 GGAARN COc1ccc(CNC(=O)Cn2c(=O)cc(C)nc2-c2cccc(Cl)c2)cc1 ZINC000057526900 205159388 /nfs/dbraw/zinc/15/93/88/205159388.db2.gz HHGYXRHIZLZTIY-UHFFFAOYSA-N 0 0 397.862 3.197 50 0 GGAARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2CCCN12)c1ccccc1 ZINC000057063773 205153141 /nfs/dbraw/zinc/15/31/41/205153141.db2.gz LNFNIZFZHGGWDR-MANSERQUSA-N 0 0 394.858 3.175 50 0 GGAARN O=C(Cn1ncc2ccccc2c1=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000057130636 205154269 /nfs/dbraw/zinc/15/42/69/205154269.db2.gz 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COc1ccc(CNC(=O)c2nnn(-c3cccc(Cl)c3)c2C)c(OC)c1 ZINC000051317639 205131056 /nfs/dbraw/zinc/13/10/56/205131056.db2.gz BSZXAOWZKJVKKP-UHFFFAOYSA-N 0 0 386.839 3.176 50 0 GGAARN CC(C)CCNC(=O)Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000057487086 205158727 /nfs/dbraw/zinc/15/87/27/205158727.db2.gz XCIFPDBSGUYHSS-UHFFFAOYSA-N 0 0 382.420 3.096 50 0 GGAARN CCCn1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cccc2Cl)c1=O ZINC000057477585 205158754 /nfs/dbraw/zinc/15/87/54/205158754.db2.gz MGOQWWLNPKMFEW-UHFFFAOYSA-N 0 0 385.851 3.174 50 0 GGAARN Cc1ccc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)cc1 ZINC000051317012 205131478 /nfs/dbraw/zinc/13/14/78/205131478.db2.gz BNTNFHDFSUSFAL-UHFFFAOYSA-N 0 0 387.443 3.122 50 0 GGAARN CCN(Cc1ccccc1)CC1=NC(=O)N[C@@H](c2ccc(C)cc2)C1C(=O)OC ZINC000051318294 205131628 /nfs/dbraw/zinc/13/16/28/205131628.db2.gz SFXLJIMQRKSLST-NRFANRHFSA-N 0 0 393.487 3.298 50 0 GGAARN Cc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)cc1 ZINC000051316651 205131908 /nfs/dbraw/zinc/13/19/08/205131908.db2.gz 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COc1cccc([C@@H]2[C@H](C(=O)Nc3ccc4[nH]ccc4c3)CC(=O)N2C)c1OC ZINC000061718042 205181868 /nfs/dbraw/zinc/18/18/68/205181868.db2.gz VRWLEBBRCHEFGW-OXQOHEQNSA-N 0 0 393.443 3.343 50 0 GGAARN COc1cccc([C@H]2[C@@H](C(=O)Nc3ccc4cc[nH]c4c3)CC(=O)N2C)c1OC ZINC000061718288 205182047 /nfs/dbraw/zinc/18/20/47/205182047.db2.gz KPPXUBXKZCTVRP-JXFKEZNVSA-N 0 0 393.443 3.343 50 0 GGAARN CCOC(=O)c1cnn(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1N ZINC000061718558 205182073 /nfs/dbraw/zinc/18/20/73/205182073.db2.gz DICDDCFFTBHSFR-UHFFFAOYSA-N 0 0 386.415 3.150 50 0 GGAARN COC(=O)[C@@H](CCSC)NC(=O)c1c2c(sc1-n1cccc1)CCC2 ZINC000061717431 205182337 /nfs/dbraw/zinc/18/23/37/205182337.db2.gz GPUBOVOULRQPAS-CYBMUJFWSA-N 0 0 378.519 3.052 50 0 GGAARN CC(C)OC(=O)c1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc1 ZINC000061718307 205182369 /nfs/dbraw/zinc/18/23/69/205182369.db2.gz QYLPSVRJXZGAGZ-UHFFFAOYSA-N 0 0 397.456 3.176 50 0 GGAARN Cc1nn(-c2ccccc2)c(N)c1[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O ZINC000061721844 205182478 /nfs/dbraw/zinc/18/24/78/205182478.db2.gz CWXQWYJESGFZLR-AWEZNQCLSA-N 0 0 382.370 3.088 50 0 GGAARN O=C(Nc1nnc(C2CCC2)s1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000061721136 205182583 /nfs/dbraw/zinc/18/25/83/205182583.db2.gz DSWQUENCPLDDRV-NSHDSACASA-N 0 0 376.869 3.451 50 0 GGAARN COc1ccccc1Nc1nc2nccc(-c3ccc4c(c3)OCO4)c2c(=O)[nH]1 ZINC000061720285 205182594 /nfs/dbraw/zinc/18/25/94/205182594.db2.gz DMIGFZPTNQSHKV-UHFFFAOYSA-N 0 0 388.383 3.466 50 0 GGAARN O=C(Cc1csc(-n2cccc2)n1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000061720762 205182742 /nfs/dbraw/zinc/18/27/42/205182742.db2.gz ZRCQMJVJADDGEK-RMKNXTFCSA-N 0 0 392.528 3.334 50 0 GGAARN Cc1cc(C)nc(-n2cc(-c3cc(C(=O)N(C)C)c4ccc(F)cc4n3)cn2)n1 ZINC000063882636 205188560 /nfs/dbraw/zinc/18/85/60/205188560.db2.gz LSNQUZJZFJIIJB-UHFFFAOYSA-N 0 0 390.422 3.335 50 0 GGAARN Fc1cc(Br)ccc1-c1nnc2sc(-c3cnccn3)nn21 ZINC000061719847 205182923 /nfs/dbraw/zinc/18/29/23/205182923.db2.gz YHDHYKVULVDTPJ-UHFFFAOYSA-N 0 0 377.202 3.211 50 0 GGAARN Cc1nnc(-c2ccc(NC(=O)C(=O)N[C@H](C)CCc3ccccc3)cc2)o1 ZINC000061721042 205182956 /nfs/dbraw/zinc/18/29/56/205182956.db2.gz VFICTUZUAWXNEV-CQSZACIVSA-N 0 0 378.432 3.121 50 0 GGAARN O=C(Nc1nnc([C@H]2CCCO2)s1)c1cc(=O)c(OCc2ccccc2)c[nH]1 ZINC000061721459 205183011 /nfs/dbraw/zinc/18/30/11/205183011.db2.gz UDZKUSXJPPLLOI-OAHLLOKOSA-N 0 0 398.444 3.322 50 0 GGAARN O=C(CSc1ccc2nnc(C(F)(F)F)n2n1)Nc1c(F)cccc1F ZINC000061719157 205183095 /nfs/dbraw/zinc/18/30/95/205183095.db2.gz YGTYXEQGILAUND-UHFFFAOYSA-N 0 0 389.309 3.152 50 0 GGAARN Cc1nnc(NC(=O)CN2C(=O)c3ccccc3N[C@@H]2c2ccccc2)s1 ZINC000061719066 205183154 /nfs/dbraw/zinc/18/31/54/205183154.db2.gz SQKURNNXGUAFGD-KRWDZBQOSA-N 0 0 379.445 3.052 50 0 GGAARN Cc1nnc(NC(=O)CN2C(=O)c3ccccc3N[C@H]2c2ccccc2)s1 ZINC000061719065 205183330 /nfs/dbraw/zinc/18/33/30/205183330.db2.gz SQKURNNXGUAFGD-QGZVFWFLSA-N 0 0 379.445 3.052 50 0 GGAARN O=C(CCN1C(=O)c2ccccc2N[C@H]1c1ccccc1)NCc1ccccn1 ZINC000061720053 205183459 /nfs/dbraw/zinc/18/34/59/205183459.db2.gz VEYZYUKMBXVXJL-JOCHJYFZSA-N 0 0 386.455 3.355 50 0 GGAARN COCCn1ccc(=O)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1C ZINC000061720238 205183484 /nfs/dbraw/zinc/18/34/84/205183484.db2.gz UGYJDXXYAHHBTD-UHFFFAOYSA-N 0 0 385.247 3.127 50 0 GGAARN O=C(CCCCCn1nnc2ccccc2c1=O)Nc1nnc(C2CCC2)s1 ZINC000061719667 205183579 /nfs/dbraw/zinc/18/35/79/205183579.db2.gz QHTYXAHEWWLXFM-UHFFFAOYSA-N 0 0 398.492 3.110 50 0 GGAARN CC1(C)C[C@H](NC(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)CCO1 ZINC000061720609 205183589 /nfs/dbraw/zinc/18/35/89/205183589.db2.gz IWUHBXDGOYLWOH-DAWZGUTISA-N 0 0 397.519 3.277 50 0 GGAARN COc1ccccc1CN1C[C@@H](C(=O)Nc2cccc3c2ccn3C)CC1=O ZINC000061720476 205183622 /nfs/dbraw/zinc/18/36/22/205183622.db2.gz UQGRBDBUKYHTRJ-INIZCTEOSA-N 0 0 377.444 3.174 50 0 GGAARN COC(=O)Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(C(C)(C)C)CO3 ZINC000061966150 205184043 /nfs/dbraw/zinc/18/40/43/205184043.db2.gz DZSVBNMAADNNRM-UHFFFAOYSA-N 0 0 379.840 3.421 50 0 GGAARN CSc1ncc(Cl)c(C(=O)NCCCc2nc(-c3cccs3)no2)n1 ZINC000061997295 205184831 /nfs/dbraw/zinc/18/48/31/205184831.db2.gz DPSONXVCFHDOMU-UHFFFAOYSA-N 0 0 395.897 3.326 50 0 GGAARN CCc1ccccc1NC(=O)Cn1c2ccccc2n2c(nnc2C(C)C)c1=O ZINC000064871668 205199315 /nfs/dbraw/zinc/19/93/15/205199315.db2.gz RLOBKBXQKSIJNZ-UHFFFAOYSA-N 0 0 389.459 3.369 50 0 GGAARN COc1cc(NC(=O)COC(=O)c2nccc3ccccc32)cc(OC)c1OC ZINC000064875524 205199483 /nfs/dbraw/zinc/19/94/83/205199483.db2.gz VEXZFNRLZQPYNC-UHFFFAOYSA-N 0 0 396.399 3.056 50 0 GGAARN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2n2c(nnc2C(C)C)c1=O ZINC000064871675 205199645 /nfs/dbraw/zinc/19/96/45/205199645.db2.gz YNXAXURVWNMSMN-UHFFFAOYSA-N 0 0 389.459 3.423 50 0 GGAARN CCc1cccc(NC(=O)Cn2c3ccccc3n3c(nnc3C(C)C)c2=O)c1 ZINC000064871670 205199786 /nfs/dbraw/zinc/19/97/86/205199786.db2.gz DIHOHVKCNJANRV-UHFFFAOYSA-N 0 0 389.459 3.369 50 0 GGAARN O=C(NCc1ccc(F)cc1)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O ZINC000064959099 205203451 /nfs/dbraw/zinc/20/34/51/205203451.db2.gz QHTYWACRLLDRLH-MRXNPFEDSA-N 0 0 390.414 3.357 50 0 GGAARN Cc1ccc2c(c1)N(S(C)(=O)=O)CC[C@@H](C(=O)Nc1cccc(C)c1C)O2 ZINC000064988530 205204305 /nfs/dbraw/zinc/20/43/05/205204305.db2.gz XWJMFSGYMBFNAY-IBGZPJMESA-N 0 0 388.489 3.168 50 0 GGAARN Cc1cc2c(cc1CNC(=O)Cn1cc(C=O)c3ccccc31)OCCCO2 ZINC000064987186 205204322 /nfs/dbraw/zinc/20/43/22/205204322.db2.gz DMQKJUHWABXWAN-UHFFFAOYSA-N 0 0 378.428 3.240 50 0 GGAARN O=C(COc1ccc(Br)cc1)NCc1ccc2c(c1)OCCCO2 ZINC000064987095 205204675 /nfs/dbraw/zinc/20/46/75/205204675.db2.gz ZDZNTLUXGHJENM-UHFFFAOYSA-N 0 0 392.249 3.306 50 0 GGAARN COC(=O)c1cc(OCC(=O)Nc2ccccc2F)c2cc(OC)ccc2n1 ZINC000065033195 205207077 /nfs/dbraw/zinc/20/70/77/205207077.db2.gz PSDMYPFYDVIMLG-UHFFFAOYSA-N 0 0 384.363 3.187 50 0 GGAARN O=C(NCCc1cccs1)c1cnn2c1nccc2-c1ccc2c(c1)OCO2 ZINC000065026759 205207649 /nfs/dbraw/zinc/20/76/49/205207649.db2.gz PLUZGJQWCJCQLP-UHFFFAOYSA-N 0 0 392.440 3.159 50 0 GGAARN COC(=O)c1cc(OCC(=O)Nc2cccc(F)c2)c2cc(OC)ccc2n1 ZINC000065033226 205208013 /nfs/dbraw/zinc/20/80/13/205208013.db2.gz 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ZINC000065250822 205223014 /nfs/dbraw/zinc/22/30/14/205223014.db2.gz AQXNXFADOYCVRL-UHFFFAOYSA-N 0 0 380.452 3.287 50 0 GGAARN CC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)NC4CCCC4)c3)c2)n1 ZINC000065250988 205223920 /nfs/dbraw/zinc/22/39/20/205223920.db2.gz RDCINIDDZRZQJP-UHFFFAOYSA-N 0 0 380.452 3.287 50 0 GGAARN CC(C)c1noc(-c2cc(=O)n(CC(=O)Nc3nccs3)c3ccccc23)n1 ZINC000067317833 205245218 /nfs/dbraw/zinc/24/52/18/205245218.db2.gz FMWUVZYDIUMWGG-UHFFFAOYSA-N 0 0 395.444 3.270 50 0 GGAARN O=C(NC[C@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1cccc(F)c1 ZINC000067298603 205245374 /nfs/dbraw/zinc/24/53/74/205245374.db2.gz VLNXQXJFUIZFMJ-PJXFJRINSA-N 0 0 382.391 3.419 50 0 GGAARN O=c1nc(N2CCC3(CC2)OCCO3)[nH]c2c(-c3ccc(F)cc3)csc21 ZINC000065314515 205229535 /nfs/dbraw/zinc/22/95/35/205229535.db2.gz MCJDTCARSJXWPG-UHFFFAOYSA-N 0 0 387.436 3.134 50 0 biogenic GGAARN COc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(Cl)c2)c1C ZINC000067322272 205245415 /nfs/dbraw/zinc/24/54/15/205245415.db2.gz OEBCIVDHIOOZIH-UHFFFAOYSA-N 0 0 399.838 3.140 50 0 GGAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@H](c1ccccc1C)CC(=O)N2 ZINC000065363082 205231489 /nfs/dbraw/zinc/23/14/89/205231489.db2.gz WRTFCCDDKGOBOF-KRWDZBQOSA-N 0 0 388.475 3.353 50 0 GGAARN CC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3cccnc3)no2)n(C)n1 ZINC000065382633 205231801 /nfs/dbraw/zinc/23/18/01/205231801.db2.gz KTCLTBPSZZFGCN-MRXNPFEDSA-N 0 0 380.452 3.041 50 0 GGAARN Cc1nccn1-c1cc(NCCNC(=O)Nc2cc(C)cc(C)c2)nc(C)n1 ZINC000065363274 205231938 /nfs/dbraw/zinc/23/19/38/205231938.db2.gz CXZHMJSGIBKIHD-UHFFFAOYSA-N 0 0 379.468 3.130 50 0 GGAARN CCN(Cc1cnc(-c2cccc3ccccc32)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000065370756 205232009 /nfs/dbraw/zinc/23/20/09/205232009.db2.gz SRUFRVDJTRVKSU-SFHVURJKSA-N 0 0 381.501 3.306 50 0 GGAARN CCc1ccc2oc(=O)cc(CN3CCN(Cc4ncccc4C)CC3)c2c1 ZINC000065383222 205232112 /nfs/dbraw/zinc/23/21/12/205232112.db2.gz DMURHKNCRLAFIA-UHFFFAOYSA-N 0 0 377.488 3.377 50 0 GGAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@@H](c1ccc(F)cc1)CC(=O)N2 ZINC000065362931 205232181 /nfs/dbraw/zinc/23/21/81/205232181.db2.gz NAFFMZCYJAADGS-MRXNPFEDSA-N 0 0 392.438 3.184 50 0 GGAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@@H](c1ccccc1C)CC(=O)N2 ZINC000065363083 205232241 /nfs/dbraw/zinc/23/22/41/205232241.db2.gz WRTFCCDDKGOBOF-QGZVFWFLSA-N 0 0 388.475 3.353 50 0 GGAARN CCc1nccc(-c2c(-c3ccccc3)ncn2Cc2nc(CCOC)no2)n1 ZINC000065370393 205232306 /nfs/dbraw/zinc/23/23/06/205232306.db2.gz QBJPBHOSFRPBNH-UHFFFAOYSA-N 0 0 390.447 3.190 50 0 GGAARN COc1ccc(Cn2ncc3c2NC(=O)C[C@H]3c2ccoc2)c(OC)c1OC ZINC000065374144 205232370 /nfs/dbraw/zinc/23/23/70/205232370.db2.gz SGTDAHXNHUHDJB-AWEZNQCLSA-N 0 0 383.404 3.024 50 0 GGAARN COc1cc2c(c(OC)c1OC)[C@H](c1ccnn1-c1ccccc1)CC(=O)N2 ZINC000065381638 205232715 /nfs/dbraw/zinc/23/27/15/205232715.db2.gz ULNFETVEFOPQHE-AWEZNQCLSA-N 0 0 379.416 3.372 50 0 GGAARN CCc1ccccc1NC(=O)NCCNc1ccc(-n2nc(C)cc2C)nn1 ZINC000065363732 205232892 /nfs/dbraw/zinc/23/28/92/205232892.db2.gz GFCQWPDVPFENHH-UHFFFAOYSA-N 0 0 379.468 3.075 50 0 GGAARN COc1ccc(-c2cc([C@@H]3CC[N@H+](CC(=O)[O-])C3)ccn2)c2ccc(C)nc12 ZINC000065397023 205233558 /nfs/dbraw/zinc/23/35/58/205233558.db2.gz ROCJONFWYGDEEW-MRXNPFEDSA-N 0 0 377.444 3.488 50 0 GGAARN Cc1ccc(-c2nc(N(C)CCO)ncc2-c2ccc3c(c2)OCCO3)cc1 ZINC000065383789 205233685 /nfs/dbraw/zinc/23/36/85/205233685.db2.gz BNWADSHVDXMAJW-UHFFFAOYSA-N 0 0 377.444 3.319 50 0 GGAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C(C)C)nn3C)cc1Cn1cccn1 ZINC000065384049 205233783 /nfs/dbraw/zinc/23/37/83/205233783.db2.gz KMKLQKNIKFQWGT-MRXNPFEDSA-N 0 0 379.464 3.271 50 0 GGAARN COc1ccc(-c2ccc(C(=O)NCc3nc(-c4ccccn4)no3)o2)cc1 ZINC000065403420 205233799 /nfs/dbraw/zinc/23/37/99/205233799.db2.gz IEWTUHWIPJXPAP-UHFFFAOYSA-N 0 0 376.372 3.330 50 0 GGAARN O=C1NC[C@H](c2ccc(Cl)cc2)Cc2nc(C3(Cn4ccnc4)CC3)[nH]c21 ZINC000065397132 205233822 /nfs/dbraw/zinc/23/38/22/205233822.db2.gz XUSVMGNPUCIMND-CQSZACIVSA-N 0 0 381.867 3.061 50 0 GGAARN COc1ccc(-c2c(-c3ccccc3)ncn2[C@H](C)C(N)=O)c(OC)c1OC ZINC000065403931 205233830 /nfs/dbraw/zinc/23/38/30/205233830.db2.gz ZFKUKEJUVGBHFE-CYBMUJFWSA-N 0 0 381.432 3.289 50 0 GGAARN COc1ccc(-c2cc([C@H]3CC[N@H+](CC(=O)[O-])C3)ccn2)c2ccc(C)nc12 ZINC000065397024 205234168 /nfs/dbraw/zinc/23/41/68/205234168.db2.gz ROCJONFWYGDEEW-INIZCTEOSA-N 0 0 377.444 3.488 50 0 GGAARN CCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C2CC2)nn3C)cc1OCC ZINC000065405389 205234177 /nfs/dbraw/zinc/23/41/77/205234177.db2.gz WOROJAHRRFHBLZ-AWEZNQCLSA-N 0 0 383.448 3.404 50 0 GGAARN O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1cn2c3c(cccc3c1=O)CC2 ZINC000065426452 205234534 /nfs/dbraw/zinc/23/45/34/205234534.db2.gz TZWMMJXCVNSOBO-NHCUHLMSSA-N 0 0 388.467 3.425 50 0 GGAARN Cc1cccnc1-n1nc(C(C)C)nc1[C@H]1CC(=O)N(c2cccc(O)c2)C1 ZINC000065454910 205234632 /nfs/dbraw/zinc/23/46/32/205234632.db2.gz MAWLRXKRCDPBAL-HNNXBMFYSA-N 0 0 377.448 3.320 50 0 GGAARN COc1ccc(CN(C)C(=O)C[C@H]2NC(=O)c3ccccc32)c2cccnc12 ZINC000065426622 205234708 /nfs/dbraw/zinc/23/47/08/205234708.db2.gz KZKHMLJBUDITSG-GOSISDBHSA-N 0 0 375.428 3.077 50 0 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C[C@@H](Oc1ccccc1)C(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2 ZINC000096121494 206119305 /nfs/dbraw/zinc/11/93/05/206119305.db2.gz ZAWMIBXBGHRAOI-QGZVFWFLSA-N 0 0 390.487 3.408 50 0 GGAARN O=C(c1cc2cc(F)ccc2s1)N1CC(S(=O)(=O)Cc2ccco2)C1 ZINC000096122092 206119312 /nfs/dbraw/zinc/11/93/12/206119312.db2.gz ADVWGVHDHFUZNF-UHFFFAOYSA-N 0 0 379.434 3.073 50 0 GGAARN CO[C@@H]1CCN(c2ccc(NC(=O)c3cncc(Br)c3)cc2)C1 ZINC000096122279 206119433 /nfs/dbraw/zinc/11/94/33/206119433.db2.gz XKBLJACSKNAYHY-MRXNPFEDSA-N 0 0 376.254 3.322 50 0 GGAARN CSc1ccc(/C=C/C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1 ZINC000096120179 206119480 /nfs/dbraw/zinc/11/94/80/206119480.db2.gz BUVJVULBUPDNKN-IZZDOVSWSA-N 0 0 396.512 3.462 50 0 GGAARN O=C(NCCn1nc(-c2ccccn2)cc1C1CC1)Nc1ccc2c(c1)OCO2 ZINC000096121754 206119529 /nfs/dbraw/zinc/11/95/29/206119529.db2.gz BVROQEFXXUORGZ-UHFFFAOYSA-N 0 0 391.431 3.373 50 0 GGAARN CC(C)CS(=O)(=O)C1CN(C(=O)C2c3ccccc3Oc3ccccc32)C1 ZINC000096121985 206119936 /nfs/dbraw/zinc/11/99/36/206119936.db2.gz 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COc1ccc(-c2cccc(C(=O)N3CC[C@@]4(CN(C)C(=O)O4)C3)c2)c(C)c1 ZINC000426634029 533183476 /nfs/dbraw/zinc/18/34/76/533183476.db2.gz STXNSTPOICDFJP-JOCHJYFZSA-N 0 0 380.444 3.337 50 0 GGAARN CCc1c(C)nc(SCC(=O)N2CCC(Cc3ccccc3)CC2)[nH]c1=O ZINC000005021656 220813051 /nfs/dbraw/zinc/81/30/51/220813051.db2.gz HDASUBFXEDIXAA-UHFFFAOYSA-N 0 0 385.533 3.214 50 0 GGAARN Cc1ccc(-n2nnc3c2ncn(CC(=O)c2ccc(Cl)cc2)c3=O)cc1C ZINC000005057217 220820891 /nfs/dbraw/zinc/82/08/91/220820891.db2.gz OQLVYGKWCWHFQG-UHFFFAOYSA-N 0 0 393.834 3.130 50 0 GGAARN CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000005063805 220823606 /nfs/dbraw/zinc/82/36/06/220823606.db2.gz JJXWUJCACGZDOM-NSHDSACASA-N 0 0 375.252 3.061 50 0 GGAARN O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)c1cc2ccccc2o1 ZINC000005077976 220827144 /nfs/dbraw/zinc/82/71/44/220827144.db2.gz DKYGFWSRIKENGB-UHFFFAOYSA-N 0 0 393.424 3.299 50 0 GGAARN O=C(c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21)N1CCOCC1 ZINC000006829859 220968455 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533337671 /nfs/dbraw/zinc/33/76/71/533337671.db2.gz SWBNBRBIVXCIGR-HNNXBMFYSA-N 0 0 381.476 3.364 50 0 GGAARN COc1cccc(-c2ccc(C(=O)N[C@H]3CCCN(c4cnccn4)C3)o2)c1 ZINC000426615592 533371066 /nfs/dbraw/zinc/37/10/66/533371066.db2.gz UKSOGRCGYPSMNW-INIZCTEOSA-N 0 0 378.432 3.144 50 0 GGAARN CO[C@]12CCN(C(=O)Cc3cccc(F)c3F)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426527160 533383110 /nfs/dbraw/zinc/38/31/10/533383110.db2.gz ZWUBUCADCIFSEO-DJPFJPOOSA-N 0 0 379.447 3.473 50 0 GGAARN COc1ccc2cc(C(=O)N(C)Cc3nc4ccccc4c(=O)[nH]3)n(C)c2c1 ZINC000426690302 533323936 /nfs/dbraw/zinc/32/39/36/533323936.db2.gz NJEKNONMIKSHBZ-UHFFFAOYSA-N 0 0 376.416 3.108 50 0 GGAARN COC(=O)[C@H](NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1)C(C)C ZINC000409413005 533326645 /nfs/dbraw/zinc/32/66/45/533326645.db2.gz HTKXIFKQJPSOJW-LJQANCHMSA-N 0 0 379.412 3.387 50 0 GGAARN COc1cc(-c2cccc(C(=O)N(Cc3ccco3)CC(C)C)c2)nc(N)n1 ZINC000426494285 533453532 /nfs/dbraw/zinc/45/35/32/533453532.db2.gz BTITWMJGPXAVJD-UHFFFAOYSA-N 0 0 380.448 3.456 50 0 GGAARN COc1ccc(CCN(Cc2ccncc2)C(=O)NC[C@H]2CCCCO2)cc1 ZINC000426505773 533478264 /nfs/dbraw/zinc/47/82/64/533478264.db2.gz MSZSTPGRZTUTKX-OAQYLSRUSA-N 0 0 383.492 3.414 50 0 GGAARN COc1ccc(CCN(C[C@@H]2CCCO2)C(=O)NCc2ncccc2C)cc1 ZINC000426589009 533478310 /nfs/dbraw/zinc/47/83/10/533478310.db2.gz LYJAWPMDDFNDIN-FQEVSTJZSA-N 0 0 383.492 3.332 50 0 GGAARN COc1cccc(CN2CN(C)c3ccc(Br)cc3S2(=O)=O)c1 ZINC000407985640 533485188 /nfs/dbraw/zinc/48/51/88/533485188.db2.gz AXKGESHGFBFTJC-UHFFFAOYSA-N 0 0 397.294 3.056 50 0 GGAARN COc1ccc(CCNS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1OC ZINC000408701559 533498266 /nfs/dbraw/zinc/49/82/66/533498266.db2.gz ZRXNDNFGJFSDOO-UHFFFAOYSA-N 0 0 393.505 3.357 50 0 GGAARN COc1ccc(CN(C(=O)N[C@H]2CC[C@H](O)CC2)C2CCCC2)c(OC)c1 ZINC000426571347 533516503 /nfs/dbraw/zinc/51/65/03/533516503.db2.gz BSNAMZIGJBBNCY-SAABIXHNSA-N 0 0 376.497 3.462 50 0 GGAARN CSCCCNC(=O)c1cccc(-c2ncccc2C(=O)N2CCCC2)c1 ZINC000426677469 533570764 /nfs/dbraw/zinc/57/07/64/533570764.db2.gz 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O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000097694745 570249743 /nfs/dbraw/zinc/24/97/43/570249743.db2.gz NBQPJFRUGVZSPZ-OAHLLOKOSA-N 0 0 387.402 3.304 50 0 GGAARN CCOC(=O)c1c(NC(=S)NC(=O)Cc2ccccc2)sc2c1CCC2 ZINC000001155978 570249960 /nfs/dbraw/zinc/24/99/60/570249960.db2.gz TWSTXPFQFPUMTJ-UHFFFAOYSA-N 0 0 388.514 3.469 50 0 GGAARN CCOc1c(Cl)cccc1NC(=O)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000097711736 570250463 /nfs/dbraw/zinc/25/04/63/570250463.db2.gz FPDRKIBHGJQMGF-UHFFFAOYSA-N 0 0 376.844 3.057 50 0 GGAARN COc1ccccc1N(CC(=O)Nc1ccc2ccccc2c1)S(C)(=O)=O ZINC000001157602 570250639 /nfs/dbraw/zinc/25/06/39/570250639.db2.gz QOOLWOCSDHPQSJ-UHFFFAOYSA-N 0 0 384.457 3.253 50 0 GGAARN Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000012230297 570250853 /nfs/dbraw/zinc/25/08/53/570250853.db2.gz JMKUFVSAOQJXCI-UHFFFAOYSA-N 0 0 392.411 3.103 50 0 GGAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2C)c(OC)c1 ZINC000001158735 570251038 /nfs/dbraw/zinc/25/10/38/570251038.db2.gz 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570254689 /nfs/dbraw/zinc/25/46/89/570254689.db2.gz JVHFOLNIZUVKGN-UHFFFAOYSA-N 0 0 388.445 3.007 50 0 GGAARN Cc1nnc(C2CCN(C(=O)Nc3cccc(N4C(=O)CC[C@@H]4C)c3)CC2)[nH]1 ZINC000097773033 570254737 /nfs/dbraw/zinc/25/47/37/570254737.db2.gz YIJABKAUBTYQJM-ZDUSSCGKSA-N 0 0 382.468 3.040 50 0 GGAARN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000001181402 570255431 /nfs/dbraw/zinc/25/54/31/570255431.db2.gz YXOLMHKHPWNZJN-GQCTYLIASA-N 0 0 391.880 3.296 50 0 GGAARN Cn1c2cc(Cl)c(S(=O)(=O)N[C@@H]3CCCc4ccccc43)cc2oc1=O ZINC000020428114 570255472 /nfs/dbraw/zinc/25/54/72/570255472.db2.gz OMHKDGOZXLXVCJ-CQSZACIVSA-N 0 0 392.864 3.141 50 0 GGAARN C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)c2ccncc2C1=O ZINC000020427186 570255697 /nfs/dbraw/zinc/25/56/97/570255697.db2.gz AREUAZBQGOPRMN-AWEZNQCLSA-N 0 0 387.395 3.497 50 0 GGAARN C[C@H](C(=O)Nc1cnc(-c2ccccc2)s1)N1C(=O)c2ccccc2C1=O ZINC000001183005 570255851 /nfs/dbraw/zinc/25/58/51/570255851.db2.gz WTRQNKABRWYFQR-GFCCVEGCSA-N 0 0 377.425 3.433 50 0 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COc1ccccc1OCCNC(=O)c1ccc(-n2nc(C)c(C)c2C)nc1 ZINC000049407432 570265180 /nfs/dbraw/zinc/26/51/80/570265180.db2.gz VIICHWOFHCMZJC-UHFFFAOYSA-N 0 0 380.448 3.010 50 0 GGAARN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC)c(OC)c1 ZINC000100045228 570265369 /nfs/dbraw/zinc/26/53/69/570265369.db2.gz GIYFJYMMDKPPIX-UHFFFAOYSA-N 0 0 389.448 3.065 50 0 GGAARN S=C(NCCCN1CCOCC1)N(Cc1ccccc1)Cc1ccccc1 ZINC000020522340 570265382 /nfs/dbraw/zinc/26/53/82/570265382.db2.gz KZMKKHGMDGPXOP-UHFFFAOYSA-N 0 0 383.561 3.286 50 0 GGAARN CC(C)CNc1nc2nnnn2c2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000020533269 570265402 /nfs/dbraw/zinc/26/54/02/570265402.db2.gz OYWGHQFQHYDBAI-UHFFFAOYSA-N 0 0 393.520 3.360 50 0 GGAARN O=C(NCCN1CCOCC1)c1cc(-c2ccccn2)nc2c(Cl)cccc12 ZINC000020534492 570265769 /nfs/dbraw/zinc/26/57/69/570265769.db2.gz LXNMLSHIGNMBNZ-UHFFFAOYSA-N 0 0 396.878 3.012 50 0 GGAARN CCN(CC)C(=O)c1ccc([C@H]2CCCN2C(=O)Cc2cc(C)no2)s1 ZINC000020535597 570265820 /nfs/dbraw/zinc/26/58/20/570265820.db2.gz DJSLNGMDDHNAJV-OAHLLOKOSA-N 0 0 375.494 3.433 50 0 GGAARN O=C(NCC1(O)CCCCC1)c1cc(COc2ccc(F)cc2Cl)on1 ZINC000020538106 570266321 /nfs/dbraw/zinc/26/63/21/570266321.db2.gz YUKUUVNAPIBNMD-UHFFFAOYSA-N 0 0 382.819 3.471 50 0 GGAARN COc1ccc(N2C(=O)C[C@H](Sc3nnc(-c4ccccc4)o3)C2=O)cc1 ZINC000100115422 570266299 /nfs/dbraw/zinc/26/62/99/570266299.db2.gz IAYPDJVXSSMFKE-HNNXBMFYSA-N 0 0 381.413 3.169 50 0 GGAARN COc1ccc2c(cc(C(=O)N3CCC[C@H]3c3ccc(C(N)=O)s3)n2C)c1 ZINC000020541487 570266751 /nfs/dbraw/zinc/26/67/51/570266751.db2.gz HHUJWYAXCBFECG-HNNXBMFYSA-N 0 0 383.473 3.325 50 0 GGAARN COc1ccc(OC)c([C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000049420852 570267234 /nfs/dbraw/zinc/26/72/34/570267234.db2.gz ZXQUSNXXCQJOGQ-LJQANCHMSA-N 0 0 376.884 3.213 50 0 GGAARN CCCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000049421108 570267296 /nfs/dbraw/zinc/26/72/96/570267296.db2.gz NFGBTEPTHZWRDY-OAHLLOKOSA-N 0 0 396.516 3.394 50 0 GGAARN O=C(Cc1csc(Nc2ccccn2)n1)Nc1ccc(N2CCOCC2)cc1 ZINC000049451324 570267453 /nfs/dbraw/zinc/26/74/53/570267453.db2.gz FWAIZQGZGRNXMI-UHFFFAOYSA-N 0 0 395.488 3.300 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000001726732 570267628 /nfs/dbraw/zinc/26/76/28/570267628.db2.gz ZICSWHCWFSWYFD-UHFFFAOYSA-N 0 0 394.431 3.305 50 0 GGAARN C[C@H](NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000020551412 570267651 /nfs/dbraw/zinc/26/76/51/570267651.db2.gz SUAJHQBXFQIMFF-INIZCTEOSA-N 0 0 383.517 3.169 50 0 GGAARN Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(NCCCN3CCOCC3)nc2C1 ZINC000020555722 570267660 /nfs/dbraw/zinc/26/76/60/570267660.db2.gz PGTYQKPLXJNFSM-SFHVURJKSA-N 0 0 394.519 3.140 50 0 GGAARN CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@H]1c1cccs1 ZINC000020559148 570267859 /nfs/dbraw/zinc/26/78/59/570267859.db2.gz MBTWZGQYVNOYSW-IBGZPJMESA-N 0 0 399.516 3.441 50 0 GGAARN COc1ccc(N2C(=O)C[C@H](Nc3ccc(Cc4ccncc4)cc3)C2=O)cc1 ZINC000100163884 570268045 /nfs/dbraw/zinc/26/80/45/570268045.db2.gz KZPLIBWNLXLBTH-NRFANRHFSA-N 0 0 387.439 3.425 50 0 GGAARN O=C(/C=C/c1ccco1)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000049487133 570268056 /nfs/dbraw/zinc/26/80/56/570268056.db2.gz GXGJBMXLTCQBMF-XVJNWHFHSA-N 0 0 394.518 3.104 50 0 GGAARN CCOC(=O)CCC(=O)N1CCC(Oc2nc3ccc(OC)cc3s2)CC1 ZINC000049434171 570268220 /nfs/dbraw/zinc/26/82/20/570268220.db2.gz RTUQVEOWZLKYDG-UHFFFAOYSA-N 0 0 392.477 3.018 50 0 GGAARN CCCCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000001770715 570268211 /nfs/dbraw/zinc/26/82/11/570268211.db2.gz REPZSEUIGAYDBG-UHFFFAOYSA-N 0 0 378.454 3.243 50 0 aggregator GGAARN c1ccc([C@@H]2NC3=NCN(C4CCCCC4)CN3c3nc4ccccc4n32)nc1 ZINC000020567797 570268336 /nfs/dbraw/zinc/26/83/36/570268336.db2.gz BPUKPTSPCZIABY-HXUWFJFHSA-N 0 0 387.491 3.307 50 0 GGAARN Cc1c(C)n(CCc2ccccc2)c2ncnc(NCCCN3CCOCC3)c12 ZINC000020591275 570269232 /nfs/dbraw/zinc/26/92/32/570269232.db2.gz ZHVDUPQGWQTFOF-UHFFFAOYSA-N 0 0 393.535 3.425 50 0 GGAARN COc1ccc(CCCN2C(=O)O[C@@H]3CN(c4ccc(Cl)cn4)C[C@@H]32)cc1 ZINC000020600037 570269528 /nfs/dbraw/zinc/26/95/28/570269528.db2.gz NIONQRWQACUEAA-ZWKOTPCHSA-N 0 0 387.867 3.386 50 0 GGAARN O=C(Cc1ccccn1)N1CCC[C@@H]1c1ccc(C(=O)Nc2cc[nH]n2)s1 ZINC000020598912 570269585 /nfs/dbraw/zinc/26/95/85/570269585.db2.gz DNSYRONASBFCGQ-CQSZACIVSA-N 0 0 381.461 3.025 50 0 GGAARN CCCCNS(=O)(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1 ZINC000001917504 570270030 /nfs/dbraw/zinc/27/00/30/570270030.db2.gz LFMGWBXFAOLNHU-UHFFFAOYSA-N 0 0 390.490 3.022 50 0 GGAARN COCCCNC(=O)N[C@]1(C(F)(F)F)Oc2ccc(C(C)(C)C)cc2O1 ZINC000001893132 570270209 /nfs/dbraw/zinc/27/02/09/570270209.db2.gz KUIOQRHWZZRCPG-QGZVFWFLSA-N 0 0 376.375 3.307 50 0 GGAARN CC(=O)N[C@H]1CCCN(C(=O)c2cccc(-c3ccc4c(cc[nH]c4=O)c3)c2)C1 ZINC000584903188 570270300 /nfs/dbraw/zinc/27/03/00/570270300.db2.gz LXRDHKXHNYENPO-FQEVSTJZSA-N 0 0 389.455 3.348 50 0 GGAARN COc1ccc(C2(CNC(=O)c3ccc(NC(C)=O)cc3)CCOCC2)cc1 ZINC000049513457 570270313 /nfs/dbraw/zinc/27/03/13/570270313.db2.gz JNDCNIHJYXLNJF-UHFFFAOYSA-N 0 0 382.460 3.132 50 0 GGAARN CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCC)C(=O)OC ZINC000004764522 570270349 /nfs/dbraw/zinc/27/03/49/570270349.db2.gz SUSGNFISMMGYFW-MSOLQXFVSA-N 0 0 392.496 3.320 50 0 GGAARN COc1ccc(C2=NO[C@H](C(=O)Nc3ccn(Cc4ccc(F)cc4)n3)C2)cc1 ZINC000020602540 570270423 /nfs/dbraw/zinc/27/04/23/570270423.db2.gz SJRGYLCZBCXXSS-IBGZPJMESA-N 0 0 394.406 3.211 50 0 GGAARN O=C(NCc1cc(F)ccc1F)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000020601765 570270463 /nfs/dbraw/zinc/27/04/63/570270463.db2.gz SRAAGKZNLCLAPA-UHFFFAOYSA-N 0 0 388.326 3.191 50 0 GGAARN Cc1nn(C)c(C)c1CN(C)C(=O)NCCCc1nc2c(ccc(C)c2C)[nH]1 ZINC000584903309 570270473 /nfs/dbraw/zinc/27/04/73/570270473.db2.gz STXHTZAVJMWIJN-UHFFFAOYSA-N 0 0 382.512 3.304 50 0 GGAARN CN(C[C@H]1CC(=O)N(C)C1)C(=O)NCc1ccc(-c2ccccc2Cl)o1 ZINC000584901217 570270801 /nfs/dbraw/zinc/27/08/01/570270801.db2.gz NVHPHJDCZZSRCK-ZDUSSCGKSA-N 0 0 375.856 3.220 50 0 GGAARN COC(=O)c1c(Cl)c(C)nc2c1c(=O)[nH]c(=S)n2-c1ccccc1OC ZINC000020604175 570270862 /nfs/dbraw/zinc/27/08/62/570270862.db2.gz IHQZNYXPQMXARD-UHFFFAOYSA-N 0 0 391.836 3.200 50 0 GGAARN COC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=S)n2-c1ccccc1OC ZINC000020604171 570270902 /nfs/dbraw/zinc/27/09/02/570270902.db2.gz QEWLYYOTXNFXFM-UHFFFAOYSA-N 0 0 383.429 3.116 50 0 GGAARN COc1ccc(N2C(=O)C[C@@H](SC(=S)N3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000113560867 570271070 /nfs/dbraw/zinc/27/10/70/570271070.db2.gz QHDLPSVATXHJQP-DVOMOZLQSA-N 0 0 392.546 3.323 50 0 GGAARN Cc1cc(C)n(C[C@H](C)NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n1 ZINC000020607011 570271162 /nfs/dbraw/zinc/27/11/62/570271162.db2.gz ZKEMJUQGQCPQNZ-VIFPVBQESA-N 0 0 385.415 3.285 50 0 GGAARN CCOC(=O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)OCC ZINC000039269662 570271378 /nfs/dbraw/zinc/27/13/78/570271378.db2.gz BQCDJGMBEKCQCA-PMACEKPBSA-N 0 0 386.444 3.283 50 0 GGAARN CNC(=O)C1(NC(=O)NCCCSCc2cccc(C)c2)CCCCC1 ZINC000584903344 570271463 /nfs/dbraw/zinc/27/14/63/570271463.db2.gz SKAPLJCQWGPFKP-UHFFFAOYSA-N 0 0 377.554 3.366 50 0 GGAARN CC[C@H](C(=O)N[C@H](C)Cn1ccc(C)n1)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607667 570271580 /nfs/dbraw/zinc/27/15/80/570271580.db2.gz WDEXBTLUNVBJMB-TZMCWYRMSA-N 0 0 383.418 3.052 50 0 GGAARN CCOC(=O)c1ccc(-n2c(=O)c3ccc(C(=O)OC)cc3[nH]c2=S)cc1 ZINC000100425118 570272289 /nfs/dbraw/zinc/27/22/89/570272289.db2.gz SMVKNTPRGOPHEJ-UHFFFAOYSA-N 0 0 384.413 3.012 50 0 GGAARN C[C@H](NC(=O)c1cn(C)nc1C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000020616892 570272606 /nfs/dbraw/zinc/27/26/06/570272606.db2.gz SRJMXFVXLAXVLP-HOTGVXAUSA-N 0 0 376.460 3.402 50 0 GGAARN COC(=O)c1cnn2c1N[C@@H](c1ccc3c(c1)OCCO3)C[C@H]2C(F)(F)F ZINC000020616757 570272632 /nfs/dbraw/zinc/27/26/32/570272632.db2.gz QMCIFRAYMDIWTN-RISCZKNCSA-N 0 0 383.326 3.101 50 0 GGAARN C[C@@H](NC(=O)c1cn(C)nc1C(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000020616893 570272654 /nfs/dbraw/zinc/27/26/54/570272654.db2.gz SRJMXFVXLAXVLP-HZPDHXFCSA-N 0 0 376.460 3.402 50 0 GGAARN C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)nn1C)c1ccccc1 ZINC000020616841 570272656 /nfs/dbraw/zinc/27/26/56/570272656.db2.gz OHVRYKVMUNAVLK-JKSUJKDBSA-N 0 0 376.460 3.402 50 0 GGAARN Cc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1 ZINC000100507163 570272645 /nfs/dbraw/zinc/27/26/45/570272645.db2.gz SAQYHYDGWUNSKJ-RTBURBONSA-N 0 0 397.452 3.218 50 0 GGAARN COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN([C@@H](C)Cc1ccco1)CO3 ZINC000020623175 570272821 /nfs/dbraw/zinc/27/28/21/570272821.db2.gz SRAVOGQYKNUVIQ-ZDUSSCGKSA-N 0 0 397.427 3.193 50 0 GGAARN CC(C)C(=O)N[C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O ZINC000020624711 570273103 /nfs/dbraw/zinc/27/31/03/570273103.db2.gz ABRYYQMXPKZNPZ-SFHVURJKSA-N 0 0 381.398 3.249 50 0 GGAARN COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(CCc1cccs1)CO3 ZINC000020624154 570273237 /nfs/dbraw/zinc/27/32/37/570273237.db2.gz YKYMXZPXEZPMSG-UHFFFAOYSA-N 0 0 399.468 3.273 50 0 GGAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccco1)OCc1ccccc1 ZINC000002075800 570273354 /nfs/dbraw/zinc/27/33/54/570273354.db2.gz LYPDMHBEILGYGT-FQEVSTJZSA-N 0 0 378.428 3.434 50 0 GGAARN CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000002070858 570273360 /nfs/dbraw/zinc/27/33/60/570273360.db2.gz XHXVCVXXSBOXLR-OAHLLOKOSA-N 0 0 382.844 3.368 50 0 GGAARN CCN1CCN(C(=O)COc2ccc3c(c2)occ(-c2ccccc2)c3=O)CC1 ZINC000020646554 570274177 /nfs/dbraw/zinc/27/41/77/570274177.db2.gz MZTOIQVBOWCFKV-UHFFFAOYSA-N 0 0 392.455 3.003 50 0 biogenic GGAARN CN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000020676634 570275023 /nfs/dbraw/zinc/27/50/23/570275023.db2.gz HVHPURIEHYCFRJ-NRFANRHFSA-N 0 0 379.460 3.120 50 0 GGAARN CC(C)(C)c1ccccc1NC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 ZINC000015842552 570275205 /nfs/dbraw/zinc/27/52/05/570275205.db2.gz QNLVRDDORYFMMV-UHFFFAOYSA-N 0 0 386.473 3.303 50 0 GGAARN COc1ccccc1N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(F)ccc32)CC1 ZINC000020714364 570275403 /nfs/dbraw/zinc/27/54/03/570275403.db2.gz WOQWCAFNCNKGOQ-FQEVSTJZSA-N 0 0 383.423 3.264 50 0 GGAARN COCCN1C(=O)c2[nH]nc(-c3cccs3)c2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000020714684 570275518 /nfs/dbraw/zinc/27/55/18/570275518.db2.gz XMDBDEGVXKHRSI-SFHVURJKSA-N 0 0 397.456 3.116 50 0 GGAARN Cc1ccc(C)c(OCC(=O)NCCCNC(=O)COc2cc(C)ccc2C)c1 ZINC000002136107 570275492 /nfs/dbraw/zinc/27/54/92/570275492.db2.gz XIGPLPFYEMJPKG-UHFFFAOYSA-N 0 0 398.503 3.001 50 0 GGAARN Cc1cc(C)cc(OCC(=O)NCCCNC(=O)COc2cc(C)cc(C)c2)c1 ZINC000002136113 570275523 /nfs/dbraw/zinc/27/55/23/570275523.db2.gz QBVFURAMDPTXHW-UHFFFAOYSA-N 0 0 398.503 3.001 50 0 GGAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncccn2)c(OC)c1 ZINC000020715439 570275623 /nfs/dbraw/zinc/27/56/23/570275623.db2.gz BTKVCTOOKQBKMB-QGZVFWFLSA-N 0 0 397.460 3.412 50 0 GGAARN COc1cccc(OCc2noc3cc(OC(=O)N4CCOCC4)ccc23)c1 ZINC000020717094 570275791 /nfs/dbraw/zinc/27/57/91/570275791.db2.gz MSBXZCJLOCIVAF-UHFFFAOYSA-N 0 0 384.388 3.246 50 0 GGAARN Cc1noc(C)c1CN1CC[NH+]([C@@H](C(=O)[O-])c2c(C)[nH]c3ccccc32)CC1 ZINC000020716894 570275801 /nfs/dbraw/zinc/27/58/01/570275801.db2.gz GRFJJXCNNMXSCB-HXUWFJFHSA-N 0 0 382.464 3.025 50 0 GGAARN COc1cccc(N2CC[NH+]([C@H](C(=O)[O-])c3c[nH]c4ccc(C)cc43)CC2)c1 ZINC000020717087 570275839 /nfs/dbraw/zinc/27/58/39/570275839.db2.gz IXROSGNFDQAIJV-NRFANRHFSA-N 0 0 379.460 3.433 50 0 GGAARN O=C(Cc1cnc(-n2cccc2)s1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020720045 570276054 /nfs/dbraw/zinc/27/60/54/570276054.db2.gz VPOHAGJVSCMRBI-UHFFFAOYSA-N 0 0 386.908 3.479 50 0 GGAARN CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)c1 ZINC000020720533 570276122 /nfs/dbraw/zinc/27/61/22/570276122.db2.gz IYJQKVADNZZZCA-HNNXBMFYSA-N 0 0 385.851 3.286 50 0 GGAARN COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4ccccn4)cc3C2=O)cc1 ZINC000020719315 570276173 /nfs/dbraw/zinc/27/61/73/570276173.db2.gz JGLILZWAWUAHSI-UHFFFAOYSA-N 0 0 387.395 3.139 50 0 GGAARN COc1cccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccncc3)cc2)c1 ZINC000006138924 570276566 /nfs/dbraw/zinc/27/65/66/570276566.db2.gz PEWOJWNOBFIIGO-UHFFFAOYSA-N 0 0 383.429 3.143 50 0 GGAARN COCCn1c2ccc(F)cc2s/c1=N/C(=O)c1cccc(OC)c1OC ZINC000012237944 570276581 /nfs/dbraw/zinc/27/65/81/570276581.db2.gz WTEZUAQLYABAIP-XUTLUUPISA-N 0 0 390.436 3.247 50 0 GGAARN COc1ccc(N2C[C@H](NC(=O)c3ccccc3C(F)(F)F)CC2=O)cc1 ZINC000005195385 570276777 /nfs/dbraw/zinc/27/67/77/570276777.db2.gz KPFGATRJKCQGIP-GFCCVEGCSA-N 0 0 378.350 3.249 50 0 GGAARN O=C(CCCCNS(=O)(=O)c1ccccc1)NCCSc1ccccc1 ZINC000002170578 570276946 /nfs/dbraw/zinc/27/69/46/570276946.db2.gz CCXSKJKGZNEISU-UHFFFAOYSA-N 0 0 392.546 3.044 50 0 GGAARN COc1ccc(N2C[C@@H](NC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1OC ZINC000005202142 570276968 /nfs/dbraw/zinc/27/69/68/570276968.db2.gz LOGXDCZSOZCJRL-AWEZNQCLSA-N 0 0 389.839 3.284 50 0 GGAARN COc1ccccc1N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3ccc(C)cc32)CC1 ZINC000020727761 570276971 /nfs/dbraw/zinc/27/69/71/570276971.db2.gz MMGXESCARQWSRY-NRFANRHFSA-N 0 0 379.460 3.433 50 0 GGAARN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCOCC3)cc2)c1 ZINC000020727669 570276986 /nfs/dbraw/zinc/27/69/86/570276986.db2.gz MRBXCIOCSMLVTO-UHFFFAOYSA-N 0 0 382.460 3.256 50 0 GGAARN CCOc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1 ZINC000005202161 570277120 /nfs/dbraw/zinc/27/71/20/570277120.db2.gz KDDJTLIMDYTJMD-HNNXBMFYSA-N 0 0 399.447 3.030 50 0 GGAARN Cn1cc(C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c2ccccc21 ZINC000020731469 570277463 /nfs/dbraw/zinc/27/74/63/570277463.db2.gz JJWHFSCLIZGWDY-UHFFFAOYSA-N 0 0 395.890 3.359 50 0 GGAARN COc1ccc2c(ccn2CC(=O)N2CCN(c3cccc(OC)c3)CC2)c1 ZINC000020732501 570277494 /nfs/dbraw/zinc/27/74/94/570277494.db2.gz PDCJCXQMBZRKFZ-UHFFFAOYSA-N 0 0 379.460 3.007 50 0 GGAARN CC(C)[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000020730877 570277506 /nfs/dbraw/zinc/27/75/06/570277506.db2.gz JYHLAPYFEGWPTL-GOSISDBHSA-N 0 0 376.416 3.124 50 0 GGAARN Cc1cc(C)c(NC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)c(Cl)c1 ZINC000015858544 570277624 /nfs/dbraw/zinc/27/76/24/570277624.db2.gz MSADMCDGMCAQCR-UHFFFAOYSA-N 0 0 392.864 3.276 50 0 GGAARN Cc1cccc(NC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)c1C ZINC000015858635 570277683 /nfs/dbraw/zinc/27/76/83/570277683.db2.gz GGJOCBOZMFXFPY-UHFFFAOYSA-N 0 0 386.473 3.258 50 0 GGAARN O=C(NCCNC(=O)c1ccncc1)c1cc2ccccc2n1Cc1ccccc1 ZINC000020733935 570277753 /nfs/dbraw/zinc/27/77/53/570277753.db2.gz OBCQMRCDACFHOW-UHFFFAOYSA-N 0 0 398.466 3.244 50 0 GGAARN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000100791435 570278042 /nfs/dbraw/zinc/27/80/42/570278042.db2.gz DJZDWVRNNCOUSH-QYZOEREBSA-N 0 0 381.863 3.184 50 0 GGAARN Cc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccccc2Cl)C(=O)N3)cc1 ZINC000020739293 570278420 /nfs/dbraw/zinc/27/84/20/570278420.db2.gz VSJWOMAIDHYHTF-HNNXBMFYSA-N 0 0 381.823 3.429 50 0 GGAARN CNC(=O)c1nn(-c2ccccc2Cl)c2c1Cc1cc(OC)c(OC)cc1-2 ZINC000020739655 570278458 /nfs/dbraw/zinc/27/84/58/570278458.db2.gz RTJIAUXEZSCONM-UHFFFAOYSA-N 0 0 383.835 3.474 50 0 GGAARN C[C@H](NC(=O)c1nc(COc2ccc3c(c2)NC(=O)CC3)no1)c1ccccc1 ZINC000020744529 570278826 /nfs/dbraw/zinc/27/88/26/570278826.db2.gz MTASQGMSEMTHCS-ZDUSSCGKSA-N 0 0 392.415 3.024 50 0 GGAARN c1ccc2c(c1)OC[C@H](c1nn3c(nnc3[C@H]3COc4ccccc4O3)s1)O2 ZINC000002196498 570278832 /nfs/dbraw/zinc/27/88/32/570278832.db2.gz WCSZNZFRPAUIAK-HZPDHXFCSA-N 0 0 394.412 3.211 50 0 GGAARN Cn1c(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc2ccccc21 ZINC000020745312 570279015 /nfs/dbraw/zinc/27/90/15/570279015.db2.gz IVLAIBGSIADOJE-UHFFFAOYSA-N 0 0 381.863 3.430 50 0 GGAARN COC(=O)c1ccc2c(c1)[n-]c(=S)n(C1CC(C)(C)[NH2+]C(C)(C)C1)c2=O ZINC000002214842 570279058 /nfs/dbraw/zinc/27/90/58/570279058.db2.gz YQPKZDUONLKAPZ-UHFFFAOYSA-N 0 0 375.494 3.327 50 0 GGAARN O=C(c1ccc2nc(C(F)(F)F)sc2c1)N1CCN(c2ncccn2)CC1 ZINC000020745043 570279077 /nfs/dbraw/zinc/27/90/77/570279077.db2.gz JEPMNJKCIBXRAS-UHFFFAOYSA-N 0 0 393.394 3.068 50 0 GGAARN CC(C)NC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O ZINC000020745216 570279086 /nfs/dbraw/zinc/27/90/86/570279086.db2.gz WBDIFGWORURTIK-UHFFFAOYSA-N 0 0 375.428 3.145 50 0 GGAARN Fc1ccc(-c2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nn2)cc1 ZINC000020745522 570279339 /nfs/dbraw/zinc/27/93/39/570279339.db2.gz ZRADODOADYGJKX-UHFFFAOYSA-N 0 0 392.434 3.334 50 0 GGAARN CSCC[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1nnc2ccccn21 ZINC000020745704 570279381 /nfs/dbraw/zinc/27/93/81/570279381.db2.gz JTQLJKAYXRVMCS-QGZVFWFLSA-N 0 0 379.489 3.364 50 0 GGAARN COc1ccc2c(ccn2CC(=O)N2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000020761444 570279529 /nfs/dbraw/zinc/27/95/29/570279529.db2.gz OIYDZMYNIOIRGW-UHFFFAOYSA-N 0 0 380.444 3.252 50 0 biogenic GGAARN COc1cc(OC)c([C@H]2CC(=O)Nc3c2c(C)nn3-c2ncccn2)cc1OC ZINC000020746017 570279576 /nfs/dbraw/zinc/27/95/76/570279576.db2.gz QLZHKXREMKBSBR-CYBMUJFWSA-N 0 0 395.419 3.120 50 0 GGAARN COc1ccccc1NC(=O)CCC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000020762645 570279666 /nfs/dbraw/zinc/27/96/66/570279666.db2.gz HRZGEISOBMCEMS-UHFFFAOYSA-N 0 0 377.444 3.480 50 0 biogenic GGAARN COc1ccc2[nH]c3c(c2c1)CCN([C@H]1OC(=O)c2c1ccc(OC)c2OC)C3 ZINC000020760508 570279672 /nfs/dbraw/zinc/27/96/72/570279672.db2.gz KGTLBFXJXLNEDI-NRFANRHFSA-N 0 0 394.427 3.421 50 0 biogenic GGAARN COc1cc(-c2nnc3sc(Cc4ccccc4)nn32)cc(OC)c1OC ZINC000002228795 570279717 /nfs/dbraw/zinc/27/97/17/570279717.db2.gz GYTVJYMBZHUBLD-UHFFFAOYSA-N 0 0 382.445 3.469 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3cccc(OC)c3)no2)cc1 ZINC000002228025 570279740 /nfs/dbraw/zinc/27/97/40/570279740.db2.gz YQZYMJJYPUXMTL-UHFFFAOYSA-N 0 0 395.415 3.493 50 0 GGAARN OCC[C@@H]1CN(Cc2cccn2-c2cccnc2)CCN1Cc1ccsc1 ZINC000020776195 570279959 /nfs/dbraw/zinc/27/99/59/570279959.db2.gz SOLRFGLJSACXNM-HXUWFJFHSA-N 0 0 382.533 3.003 50 0 GGAARN Cc1cccc(C[C@@H](C)NC(=O)c2cc(COc3cncc(Cl)c3)on2)n1 ZINC000020774002 570280006 /nfs/dbraw/zinc/28/00/06/570280006.db2.gz BNRNXKGMWNOGOK-CYBMUJFWSA-N 0 0 386.839 3.366 50 0 GGAARN Cc1c(C(=O)N2CCN(C)CC2)sc2ncnc(N3CCCCCCC3)c12 ZINC000020779761 570280030 /nfs/dbraw/zinc/28/00/30/570280030.db2.gz XAPSEAZNKSPUEF-UHFFFAOYSA-N 0 0 387.553 3.158 50 0 GGAARN Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000002238912 570280110 /nfs/dbraw/zinc/28/01/10/570280110.db2.gz LEVKDFVAYKKCJS-UHFFFAOYSA-N 0 0 387.443 3.260 50 0 GGAARN CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccncc1 ZINC000001077010 570280710 /nfs/dbraw/zinc/28/07/10/570280710.db2.gz QNKYJZRCVUWELK-UHFFFAOYSA-N 0 0 375.404 3.369 50 0 GGAARN CCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2 ZINC000002278991 570280872 /nfs/dbraw/zinc/28/08/72/570280872.db2.gz AELWGRQUSCQUEW-ABAIWWIYSA-N 0 0 396.369 3.412 50 0 GGAARN COC(=O)[C@](O)(c1ccc(NC(=O)Oc2ccccc2)c(OC)c1)C(F)(F)F ZINC000002274127 570280937 /nfs/dbraw/zinc/28/09/37/570280937.db2.gz JHDMKHOPCAUVLU-QGZVFWFLSA-N 0 0 399.321 3.229 50 0 GGAARN O=c1c2cccnc2n(Cc2ccc(F)cc2)c(=O)n1Cc1ccccc1Cl ZINC000020861164 570282330 /nfs/dbraw/zinc/28/23/30/570282330.db2.gz LTMGRKJDNUSKMJ-UHFFFAOYSA-N 0 0 395.821 3.447 50 0 GGAARN COC(=O)c1ccccc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000015880947 570282427 /nfs/dbraw/zinc/28/24/27/570282427.db2.gz FFUAVWJOVUHZAQ-UHFFFAOYSA-N 0 0 395.440 3.363 50 0 GGAARN COc1ccc(CC(=O)Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC000002318057 570282476 /nfs/dbraw/zinc/28/24/76/570282476.db2.gz RRVWGTNOGWBATJ-UHFFFAOYSA-N 0 0 385.423 3.385 50 0 GGAARN O=C(Nc1nnc(CCS(=O)(=O)c2ccccc2)o1)c1cc2ccccc2o1 ZINC000010692503 570282577 /nfs/dbraw/zinc/28/25/77/570282577.db2.gz GMXWHJJRMNXNRS-UHFFFAOYSA-N 0 0 397.412 3.085 50 0 GGAARN Cc1ccccc1N1CCN(C(=O)CCc2nc(-c3cccnc3)no2)[C@@H](C)C1 ZINC000020867644 570282646 /nfs/dbraw/zinc/28/26/46/570282646.db2.gz WMIXVZFAKIHLPN-KRWDZBQOSA-N 0 0 391.475 3.110 50 0 GGAARN COc1ccc(N2C(=O)C[C@H](Sc3nc(C)nc4c3CCCC4)C2=O)cc1 ZINC000101366928 570283132 /nfs/dbraw/zinc/28/31/32/570283132.db2.gz ISMFBUVKYRBDRQ-KRWDZBQOSA-N 0 0 383.473 3.097 50 0 GGAARN O=C(/C=C/c1ccccc1)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O ZINC000011665762 570283230 /nfs/dbraw/zinc/28/32/30/570283230.db2.gz OQTGIZOBKVZBCO-MDZDMXLPSA-N 0 0 391.818 3.019 50 0 GGAARN Cc1ccccc1NC(=S)NC(=O)C[C@@H]1SC(=O)N(c2ccccc2)C1=O ZINC000002343821 570283608 /nfs/dbraw/zinc/28/36/08/570283608.db2.gz FVNZWHNAKHOYAC-HNNXBMFYSA-N 0 0 399.497 3.467 50 0 GGAARN O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020898396 570283704 /nfs/dbraw/zinc/28/37/04/570283704.db2.gz FGRPDJZBDDXPJB-UHFFFAOYSA-N 0 0 378.538 3.067 50 0 GGAARN COc1cccc(-c2noc(-c3ccc(NC[C@@H]4CCCO4)nc3)n2)c1OC ZINC000020905840 570283716 /nfs/dbraw/zinc/28/37/16/570283716.db2.gz QJEDUNVCEDSDEC-AWEZNQCLSA-N 0 0 382.420 3.407 50 0 GGAARN CC(C)C(NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)C(C)C ZINC000020898352 570283732 /nfs/dbraw/zinc/28/37/32/570283732.db2.gz LHIJJQDOPLMXMK-UHFFFAOYSA-N 0 0 380.554 3.025 50 0 GGAARN COC(=O)CN(c1ccc(F)cc1)[C@@H]1SC(=O)N(Cc2ccccc2)C1=O ZINC000012289124 570283726 /nfs/dbraw/zinc/28/37/26/570283726.db2.gz QYCLTLRFDSTVPU-GOSISDBHSA-N 0 0 388.420 3.027 50 0 GGAARN Cc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccco4)c3)nn12 ZINC000002358092 570283904 /nfs/dbraw/zinc/28/39/04/570283904.db2.gz AZVWYWMXQORTBK-UHFFFAOYSA-N 0 0 398.473 3.189 50 0 GGAARN Cn1nnnc1SCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000002356956 570283930 /nfs/dbraw/zinc/28/39/30/570283930.db2.gz DMFWXHHFEQTDEK-UHFFFAOYSA-N 0 0 392.444 3.263 50 0 GGAARN Cc1nc2ncccn2c1C(=O)N(CCc1ccc(F)cc1)Cc1cccnc1 ZINC000020909790 570284150 /nfs/dbraw/zinc/28/41/50/570284150.db2.gz VNNKFJKQMKNQFI-UHFFFAOYSA-N 0 0 389.434 3.457 50 0 GGAARN Cn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000002363181 570284299 /nfs/dbraw/zinc/28/42/99/570284299.db2.gz DSPTVVAFEYIBNW-UHFFFAOYSA-N 0 0 394.456 3.453 50 0 GGAARN COc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2ccccn2)cc1 ZINC000002358750 570284302 /nfs/dbraw/zinc/28/43/02/570284302.db2.gz XISJOKAINGUECZ-UHFFFAOYSA-N 0 0 384.461 3.382 50 0 GGAARN C[C@@H](Nc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1)c1nncn1C ZINC000020916165 570284497 /nfs/dbraw/zinc/28/44/97/570284497.db2.gz IMJVFJOQJYKSER-GFCCVEGCSA-N 0 0 379.399 3.163 50 0 GGAARN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1cccc(F)c1 ZINC000015883700 570284800 /nfs/dbraw/zinc/28/48/00/570284800.db2.gz AWOBPHPQDNZDAU-UHFFFAOYSA-N 0 0 387.480 3.262 50 0 GGAARN Cc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(C)cc3)nn2)cc1 ZINC000015884226 570285131 /nfs/dbraw/zinc/28/51/31/570285131.db2.gz PCWBFGYGBBXVIG-UHFFFAOYSA-N 0 0 383.473 3.118 50 0 GGAARN CC(C)(C)OC(=O)[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002386078 570285305 /nfs/dbraw/zinc/28/53/05/570285305.db2.gz ZYOWIDHANLLHNO-IBGZPJMESA-N 0 0 383.444 3.228 50 0 GGAARN COCCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000002389058 570285519 /nfs/dbraw/zinc/28/55/19/570285519.db2.gz PGFPASBLFFIPPA-UHFFFAOYSA-N 0 0 396.472 3.036 50 0 GGAARN C[C@H](NC(=O)Cc1nc2cc(Cl)ccc2[nH]1)c1nc(-c2cccnc2)no1 ZINC000215107145 570285635 /nfs/dbraw/zinc/28/56/35/570285635.db2.gz APNZBILSUPARIV-JTQLQIEISA-N 0 0 382.811 3.081 50 0 GGAARN O=C(N[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccc(Cn2cccn2)o1 ZINC000215129445 570285642 /nfs/dbraw/zinc/28/56/42/570285642.db2.gz BLZFKGXDPPDFGA-QGZVFWFLSA-N 0 0 382.439 3.058 50 0 GGAARN Cc1ccc(C)c([C@@H](NC(=O)c2cnc3ccccn3c2=O)c2cccnc2)c1 ZINC000215124890 570285736 /nfs/dbraw/zinc/28/57/36/570285736.db2.gz YBTOCVGDJDXDHK-NRFANRHFSA-N 0 0 384.439 3.226 50 0 GGAARN OCC[C@H]1CN(Cc2ccc(OC(F)F)cc2)CCN1Cc1ccc(F)cc1 ZINC000020995932 570286241 /nfs/dbraw/zinc/28/62/41/570286241.db2.gz UETOEMPFJNJLCQ-IBGZPJMESA-N 0 0 394.437 3.496 50 0 GGAARN Cc1csc([C@H](C)NC(=O)CCc2nnc(-c3ccc4c(c3)OCO4)o2)n1 ZINC000020993610 570286289 /nfs/dbraw/zinc/28/62/89/570286289.db2.gz IAEDPAAFRSWCOX-NSHDSACASA-N 0 0 386.433 3.040 50 0 GGAARN COc1ccccc1Nc1nc(N)nc(CSC(=S)N2CCCCC2)n1 ZINC000002406105 570286314 /nfs/dbraw/zinc/28/63/14/570286314.db2.gz NJFDGTHQCZTPID-UHFFFAOYSA-N 0 0 390.538 3.210 50 0 GGAARN CCCCn1c(CN2CCN(C)[C@@H](C)C2)cnc1S(=O)(=O)CCCC(C)C ZINC000020997673 570286672 /nfs/dbraw/zinc/28/66/72/570286672.db2.gz JXBUVABQUOZREX-SFHVURJKSA-N 0 0 398.617 3.029 50 0 GGAARN O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCC(c2nccn2Cc2cccnc2)CC1 ZINC000102014982 570286732 /nfs/dbraw/zinc/28/67/32/570286732.db2.gz ICLCKIKKAOTWJH-XXPBSIAGSA-N 0 0 376.504 3.325 50 0 GGAARN COc1ccc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)c(F)c1 ZINC000020998248 570286906 /nfs/dbraw/zinc/28/69/06/570286906.db2.gz FENNVGBAUPDPTH-SFHVURJKSA-N 0 0 376.447 3.042 50 0 GGAARN COc1cc(OC)cc(-c2nc3c4cnn(-c5ccc(C)cc5)c4ncn3n2)c1 ZINC000002433952 570286952 /nfs/dbraw/zinc/28/69/52/570286952.db2.gz OEJDFCKXIWHRQP-UHFFFAOYSA-N 0 0 386.415 3.456 50 0 GGAARN COc1ccc(C(=O)COc2cccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000102083126 570287083 /nfs/dbraw/zinc/28/70/83/570287083.db2.gz PWBXVSMZXWSJBM-BGYRXZFFSA-N 0 0 391.423 3.413 50 0 GGAARN C[C@@H]1CN(Cc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn32)C[C@H](C)O1 ZINC000020999549 570287121 /nfs/dbraw/zinc/28/71/21/570287121.db2.gz YSVRDVOUFWDGRY-HDICACEKSA-N 0 0 392.503 3.216 50 0 GGAARN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)c1cccnc1Cl ZINC000000669073 570287420 /nfs/dbraw/zinc/28/74/20/570287420.db2.gz BTYVZKZEUTUPNN-UHFFFAOYSA-N 0 0 395.868 3.236 50 0 GGAARN O=C(C[C@H](c1ccccc1)c1ccc(F)cc1)N1Cc2cnn(CCO)c2C1 ZINC000215386295 570287992 /nfs/dbraw/zinc/28/79/92/570287992.db2.gz SWHWSLABZRJVAF-HXUWFJFHSA-N 0 0 379.435 3.079 50 0 GGAARN CC(C)(C)c1ccc(OCC(=O)N2CCN(CCc3ccccn3)CC2)cc1 ZINC000021149678 570288644 /nfs/dbraw/zinc/28/86/44/570288644.db2.gz QOTFTECEBOLCDZ-UHFFFAOYSA-N 0 0 381.520 3.145 50 0 GGAARN Cc1ccc(C(C)C)c(OCC(=O)N2CCN(CCc3ccccn3)CC2)c1 ZINC000021149693 570288739 /nfs/dbraw/zinc/28/87/39/570288739.db2.gz WAGRQAQFKWNIOV-UHFFFAOYSA-N 0 0 381.520 3.279 50 0 GGAARN COc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)o2)cc1 ZINC000215451282 570289036 /nfs/dbraw/zinc/28/90/36/570289036.db2.gz BDUSLODLMACAQY-QGZVFWFLSA-N 0 0 382.460 3.430 50 0 GGAARN O=C(NCc1cccc(OC(F)(F)F)c1)[C@H](c1cccnc1)N1CCCC1 ZINC000102541011 570289846 /nfs/dbraw/zinc/28/98/46/570289846.db2.gz NTWKTMUNALRBOT-KRWDZBQOSA-N 0 0 379.382 3.434 50 0 GGAARN Cn1nc(-c2ccccc2)cc1C(=O)N1CCC2(CC1)c1ccccc1C[C@H]2O ZINC000215610463 570290315 /nfs/dbraw/zinc/29/03/15/570290315.db2.gz OEFYHLUIDBOVGZ-JOCHJYFZSA-N 0 0 387.483 3.178 50 0 GGAARN 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Cc1ccc2nc(C)c(C(=O)N3CCNC(=O)[C@H]3c3ccc(F)cc3)cc2c1 ZINC000216035074 570295023 /nfs/dbraw/zinc/29/50/23/570295023.db2.gz OUHWWNYFNYUUKA-HXUWFJFHSA-N 0 0 377.419 3.304 50 0 GGAARN Cc1ccc2nc(C)c(C(=O)N3CCNC(=O)[C@@H]3c3ccc(F)cc3)cc2c1 ZINC000216035029 570295032 /nfs/dbraw/zinc/29/50/32/570295032.db2.gz OUHWWNYFNYUUKA-FQEVSTJZSA-N 0 0 377.419 3.304 50 0 GGAARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)N(CCc2ccccc2)C1=S ZINC000002729803 570295897 /nfs/dbraw/zinc/29/58/97/570295897.db2.gz ARERQMHLPAMGBF-GOSISDBHSA-N 0 0 399.491 3.215 50 0 GGAARN CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)N(CCCc2ccccc2)C1=S ZINC000002729765 570295961 /nfs/dbraw/zinc/29/59/61/570295961.db2.gz IWXMBMJAIIZDGZ-IBGZPJMESA-N 0 0 395.528 3.466 50 0 GGAARN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCOCC2)cc1 ZINC000021805517 570296698 /nfs/dbraw/zinc/29/66/98/570296698.db2.gz KTKJFBHNONNRHD-NRFANRHFSA-N 0 0 391.471 3.453 50 0 GGAARN Cc1c(C)n(CCN2CCOCC2)c2ncn3nc(-c4cccc(C)c4)nc3c12 ZINC000021801904 570296723 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O=C(NCCCn1ccnc1)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002768862 570299879 /nfs/dbraw/zinc/29/98/79/570299879.db2.gz CLCPVMFWFALJSL-UHFFFAOYSA-N 0 0 396.401 3.351 50 0 GGAARN Cc1cc(C)c2ccc(C(=O)N3CCCN(C(=O)c4ccoc4)CC3)cc2n1 ZINC000216428090 570301760 /nfs/dbraw/zinc/30/17/60/570301760.db2.gz COTWJBHQKGGHDY-UHFFFAOYSA-N 0 0 377.444 3.433 50 0 GGAARN CC(C)c1cc(C(=O)N2CCC(Cc3ccccc3F)CC2)nc2ncnn21 ZINC000216458711 570302138 /nfs/dbraw/zinc/30/21/38/570302138.db2.gz QLQWTEVKJKUUEO-UHFFFAOYSA-N 0 0 381.455 3.482 50 0 GGAARN COCCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000002799862 570302488 /nfs/dbraw/zinc/30/24/88/570302488.db2.gz SRORXGAFMNIQKZ-LLVKDONJSA-N 0 0 385.411 3.406 50 0 GGAARN COC(=O)c1sccc1NC(=O)C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000575414021 570302890 /nfs/dbraw/zinc/30/28/90/570302890.db2.gz KYQZDMBMTLHRHN-UHFFFAOYSA-N 0 0 394.456 3.067 50 0 GGAARN CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000002803793 570303427 /nfs/dbraw/zinc/30/34/27/570303427.db2.gz 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570306606 /nfs/dbraw/zinc/30/66/06/570306606.db2.gz VROZPKSJGAWYNY-UHFFFAOYSA-N 0 0 382.489 3.000 50 0 GGAARN COCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1 ZINC000002838704 570306650 /nfs/dbraw/zinc/30/66/50/570306650.db2.gz BCHCHPKLYRHQHS-UHFFFAOYSA-N 0 0 386.452 3.461 50 0 GGAARN CCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000005241852 570306737 /nfs/dbraw/zinc/30/67/37/570306737.db2.gz MJOGMDWMJQSMNM-UHFFFAOYSA-N 0 0 391.836 3.436 50 0 GGAARN CCCCN1C=C(C(=O)OC)C(c2cccc(OC)c2OC)C(C(=O)OC)=C1 ZINC000002838965 570306790 /nfs/dbraw/zinc/30/67/90/570306790.db2.gz NKYQCOSJQMSEFN-UHFFFAOYSA-N 0 0 389.448 3.017 50 0 GGAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N ZINC000002840726 570306998 /nfs/dbraw/zinc/30/69/98/570306998.db2.gz CNKWVLBDFBKUHM-UHFFFAOYSA-N 0 0 389.868 3.052 50 0 GGAARN COc1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)c(C)cc1C ZINC000002841998 570307339 /nfs/dbraw/zinc/30/73/39/570307339.db2.gz IXTIRWGWTHWBJV-UHFFFAOYSA-N 0 0 388.533 3.440 50 0 GGAARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1C ZINC000000727837 570307865 /nfs/dbraw/zinc/30/78/65/570307865.db2.gz ROJDRUWYNFPYPU-HXUWFJFHSA-N 0 0 394.427 3.171 50 0 GGAARN CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1 ZINC000002847149 570307967 /nfs/dbraw/zinc/30/79/67/570307967.db2.gz KNVXTQAGWCKRHA-UHFFFAOYSA-N 0 0 382.445 3.425 50 0 GGAARN OCC[C@@H]1CN(Cc2ccc(O)c(Cl)c2)CCN1Cc1ccccc1F ZINC000107100723 570308505 /nfs/dbraw/zinc/30/85/05/570308505.db2.gz DQHRDMFLSKACKS-QGZVFWFLSA-N 0 0 378.875 3.254 50 0 GGAARN Cc1nn(C(C)C)c(C)c1CN1CCN(Cc2ccccc2F)[C@@H](CCO)C1 ZINC000107100227 570308617 /nfs/dbraw/zinc/30/86/17/570308617.db2.gz OYRDSTZHGDTEKT-FQEVSTJZSA-N 0 0 388.531 3.289 50 0 GGAARN Cc1cc(C)cc(NC(=O)COc2ccc(C(=S)N3CCOCC3)cc2)c1 ZINC000002850961 570308719 /nfs/dbraw/zinc/30/87/19/570308719.db2.gz IYABALJXNJJHCV-UHFFFAOYSA-N 0 0 384.501 3.329 50 0 GGAARN COC(=O)c1cn(C(=O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc12 ZINC000002850536 570308723 /nfs/dbraw/zinc/30/87/23/570308723.db2.gz 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/nfs/dbraw/zinc/38/23/04/570382304.db2.gz NGANFTIGDDAJOT-OAHLLOKOSA-N 0 0 377.441 3.186 50 0 GGAARN CN(Cc1cc[nH]n1)C(=O)c1ccc([C@H]2CCCN2C(=O)c2ccoc2)s1 ZINC000020451264 570382795 /nfs/dbraw/zinc/38/27/95/570382795.db2.gz BDXBKVDQCJOIFJ-OAHLLOKOSA-N 0 0 384.461 3.314 50 0 GGAARN CN(Cc1cc[nH]n1)C(=O)c1ccc([C@@H]2CCCN2C(=O)c2ccoc2)s1 ZINC000020451262 570382889 /nfs/dbraw/zinc/38/28/89/570382889.db2.gz BDXBKVDQCJOIFJ-HNNXBMFYSA-N 0 0 384.461 3.314 50 0 GGAARN COc1cccc(-n2cc([C@H](C)NC(=O)Cn3ncc4ccccc43)cn2)c1 ZINC000220338687 570385294 /nfs/dbraw/zinc/38/52/94/570385294.db2.gz QJGPYGBMLVPBSR-HNNXBMFYSA-N 0 0 375.432 3.108 50 0 GGAARN Cc1c(C)c2ccc(OCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(C)c2oc1=O ZINC000004073814 570386612 /nfs/dbraw/zinc/38/66/12/570386612.db2.gz UVEAGUHTRHTRJO-SBUREZEXSA-N 0 0 399.487 3.251 50 0 biogenic GGAARN Cc1cccc2cc(C(=O)N[C@@H]3CCOC[C@H]3Oc3ccccn3)c(C)nc12 ZINC000220489692 570386969 /nfs/dbraw/zinc/38/69/69/570386969.db2.gz JDAHFJWCAUYFGA-RTBURBONSA-N 0 0 377.444 3.213 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FOQIQEYGEJIJTJ-UHFFFAOYSA-N 0 0 394.581 3.334 50 0 GGAARN CC(C)C(NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1)C(C)C ZINC000024609614 570387747 /nfs/dbraw/zinc/38/77/47/570387747.db2.gz KJNJQGWMDRJHIN-UHFFFAOYSA-N 0 0 398.544 3.164 50 0 GGAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c1 ZINC000024609874 570387771 /nfs/dbraw/zinc/38/77/71/570387771.db2.gz HIXFWLRALMRIBI-UHFFFAOYSA-N 0 0 390.480 3.315 50 0 GGAARN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000024608891 570387777 /nfs/dbraw/zinc/38/77/77/570387777.db2.gz QUISPBKPUYAOFN-UHFFFAOYSA-N 0 0 390.480 3.315 50 0 GGAARN CC(C)C(NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1)C(C)C ZINC000024612521 570388003 /nfs/dbraw/zinc/38/80/03/570388003.db2.gz HFWFVMCCYXEHEY-UHFFFAOYSA-N 0 0 398.544 3.164 50 0 GGAARN O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1n[nH]c2c1CCCC2 ZINC000220585521 570388866 /nfs/dbraw/zinc/38/88/66/570388866.db2.gz LHDHGGMPXNARBA-SGHGTVFPSA-N 0 0 376.460 3.079 50 0 GGAARN CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)cc1 ZINC000024647452 570388868 /nfs/dbraw/zinc/38/88/68/570388868.db2.gz DABRLNNJXUJFJM-UHFFFAOYSA-N 0 0 389.337 3.497 50 0 GGAARN COc1ccc(NC(=O)C2=C(C)N=C3N=CNN3[C@@H]2c2ccc(C)s2)cc1 ZINC000220976731 570391075 /nfs/dbraw/zinc/39/10/75/570391075.db2.gz IJGXLVSMLWFULC-QGZVFWFLSA-N 0 0 381.461 3.237 50 0 GGAARN C[C@@H]1C[C@H](C)CN(c2ccc(NC(=O)COCC(=O)Nc3ccccn3)cc2)C1 ZINC000012362813 570392405 /nfs/dbraw/zinc/39/24/05/570392405.db2.gz XBLKXKFETKGTRZ-CALCHBBNSA-N 0 0 396.491 3.158 50 0 GGAARN CCCn1ncc(CN2CCn3nc([C@@H](O)Cc4ccccc4)cc3C2)c1C ZINC000221284470 570392785 /nfs/dbraw/zinc/39/27/85/570392785.db2.gz IDLMVKGLBPHHGM-QFIPXVFZSA-N 0 0 379.508 3.090 50 0 GGAARN CC(C)n1cccc1C(=O)N1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 ZINC000221291667 570392822 /nfs/dbraw/zinc/39/28/22/570392822.db2.gz RCIJIJDSTPGLHJ-OAQYLSRUSA-N 0 0 378.476 3.198 50 0 GGAARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1 ZINC000006356974 570398021 /nfs/dbraw/zinc/39/80/21/570398021.db2.gz MALJAPVIZPLPLT-UHFFFAOYSA-N 0 0 387.486 3.216 50 0 GGAARN O=C(Nc1cccc(F)c1)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)nn21 ZINC000004735700 570399407 /nfs/dbraw/zinc/39/94/07/570399407.db2.gz KRIAYHPCNAOSLO-OAHLLOKOSA-N 0 0 397.435 3.232 50 0 GGAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCc1c[nH]c2ccccc12 ZINC000035598242 570401134 /nfs/dbraw/zinc/40/11/34/570401134.db2.gz OMFFFKJJBZYMLG-LJQANCHMSA-N 0 0 390.443 3.007 50 0 GGAARN COc1cccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c1 ZINC000004754932 570403113 /nfs/dbraw/zinc/40/31/13/570403113.db2.gz HWQXLVQSPIZLBB-UHFFFAOYSA-N 0 0 395.484 3.409 50 0 GGAARN COc1ccc(CCNC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1OC ZINC000025127769 570408317 /nfs/dbraw/zinc/40/83/17/570408317.db2.gz DLNDGYCJYFDAEZ-UHFFFAOYSA-N 0 0 379.460 3.496 50 0 biogenic GGAARN CC(C)C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)c2ccccc2C1=O ZINC000000839324 570409293 /nfs/dbraw/zinc/40/92/93/570409293.db2.gz SKUGQBPCAVDONN-KRWDZBQOSA-N 0 0 394.427 3.107 50 0 GGAARN O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cc2cc(F)ccc2o1 ZINC000222392578 570409345 /nfs/dbraw/zinc/40/93/45/570409345.db2.gz XRGRFBWFYHHKQT-RHSMWYFYSA-N 0 0 376.409 3.133 50 0 GGAARN COc1cccc(C(=O)N(Cc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000005070240 570411251 /nfs/dbraw/zinc/41/12/51/570411251.db2.gz OLCJLVIHNZIRFB-KRWDZBQOSA-N 0 0 393.892 3.178 50 0 GGAARN COc1cc(C(=O)NCCc2nc(-c3ccc(C)cc3)no2)cc(OC)c1OC ZINC000035673007 570412036 /nfs/dbraw/zinc/41/20/36/570412036.db2.gz OYBLEZBVDQMGPA-UHFFFAOYSA-N 0 0 397.431 3.043 50 0 GGAARN COc1ccc(CN(C(=O)/C=C/c2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005070951 570412300 /nfs/dbraw/zinc/41/23/00/570412300.db2.gz NEEVXLUNKSYJOY-JTPHSUOKSA-N 0 0 399.512 3.233 50 0 GGAARN Cc1noc(C)c1CO[C@H]1CCOC[C@H]1NC(=O)CCCc1cccs1 ZINC000222498314 570412755 /nfs/dbraw/zinc/41/27/55/570412755.db2.gz YSUKNHDKFXMFHY-MSOLQXFVSA-N 0 0 378.494 3.166 50 0 GGAARN O=C(NCCc1csc(-c2ncccn2)n1)c1ccc(N2CCCC2)cc1 ZINC000222663033 570419318 /nfs/dbraw/zinc/41/93/18/570419318.db2.gz AKHBNABZECSTDA-UHFFFAOYSA-N 0 0 379.489 3.173 50 0 GGAARN O=C(CC1(n2cccc2)CCCCC1)N1C[C@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 ZINC000524729217 570420270 /nfs/dbraw/zinc/42/02/70/570420270.db2.gz KGSWAJFJUXHLKP-AABGKKOBSA-N 0 0 383.536 3.397 50 0 biogenic GGAARN CC1(C)CCc2cc(CC(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)ccc2O1 ZINC000524730238 570420612 /nfs/dbraw/zinc/42/06/12/570420612.db2.gz AUHBWTBSJWBSOV-HOJAQTOUSA-N 0 0 396.531 3.192 50 0 biogenic GGAARN O=C(Cc1cccc(F)c1)N1CCCn2nc([C@H](O)c3ccccc3)cc2C1 ZINC000222689897 570421004 /nfs/dbraw/zinc/42/10/04/570421004.db2.gz IADXYBJKIKOKEE-JOCHJYFZSA-N 0 0 379.435 3.079 50 0 GGAARN C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000005751767 570421804 /nfs/dbraw/zinc/42/18/04/570421804.db2.gz NSHPHXHGRHSMIK-JRIKCGFMSA-N 0 0 395.521 3.303 50 0 investigational GGAARN CC1(C)N(OCc2ccccc2)C(=O)C(=O)N(OCc2ccccc2)C1(C)C ZINC000001770961 570422762 /nfs/dbraw/zinc/42/27/62/570422762.db2.gz JWAYYQJQTKNRLL-UHFFFAOYSA-N 0 0 382.460 3.478 50 0 GGAARN O=C(c1ccc(Cn2nnc3ccccc3c2=O)cc1)N1CCc2ccccc2C1 ZINC000033946023 570423184 /nfs/dbraw/zinc/42/31/84/570423184.db2.gz MATFGBXNFXQCHZ-UHFFFAOYSA-N 0 0 396.450 3.038 50 0 GGAARN CCCCOC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000001784971 570424147 /nfs/dbraw/zinc/42/41/47/570424147.db2.gz GOPHYDLXUXAJAM-GFCCVEGCSA-N 0 0 377.510 3.347 50 0 GGAARN C[C@H](C(=O)OCc1ccccc1)n1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000001784969 570424149 /nfs/dbraw/zinc/42/41/49/570424149.db2.gz NQUNTITXDMEXFV-CHWSQXEVSA-N 0 0 383.473 3.282 50 0 GGAARN c1nc(CN2C[C@H]3CC[C@H](CN3Cc3cnn(-c4ccccc4)c3)C2)cs1 ZINC000091635871 570425760 /nfs/dbraw/zinc/42/57/60/570425760.db2.gz NQHMSXRWFFFMGE-LAUBAEHRSA-N 0 0 379.533 3.425 50 0 GGAARN C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000001799824 570425771 /nfs/dbraw/zinc/42/57/71/570425771.db2.gz FBDSRWMDSIWVDJ-LBPRGKRZSA-N 0 0 387.432 3.490 50 0 GGAARN OCCNc1nc(N2CCN(c3ccccc3Cl)CC2)nc2ccccc21 ZINC000026702680 570428028 /nfs/dbraw/zinc/42/80/28/570428028.db2.gz MYYYCESHNPVUCG-UHFFFAOYSA-N 0 0 383.883 3.014 50 0 GGAARN CCCNC(=O)c1ccc(Nc2nn3c(nc4ccccc4c3=O)s2)cc1 ZINC000032952078 570428096 /nfs/dbraw/zinc/42/80/96/570428096.db2.gz WOINTLZPDALSQC-UHFFFAOYSA-N 0 0 379.445 3.188 50 0 GGAARN CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000239173737 570428430 /nfs/dbraw/zinc/42/84/30/570428430.db2.gz OOEKXRMALPTNQH-BZPMIXESSA-N 0 0 397.258 3.133 50 0 GGAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000033856270 570428820 /nfs/dbraw/zinc/42/88/20/570428820.db2.gz HPAKILCZTKWIFK-AMHUQJERSA-N 0 0 388.504 3.382 50 0 biogenic GGAARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)NC1CCCCCC1 ZINC000005152829 570429112 /nfs/dbraw/zinc/42/91/12/570429112.db2.gz LJMNKMMMJFJSAZ-HXUWFJFHSA-N 0 0 395.503 3.339 50 0 GGAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@H]2C ZINC000005153951 570429355 /nfs/dbraw/zinc/42/93/55/570429355.db2.gz BHUYQWOTTXMBRW-KBPBESRZSA-N 0 0 382.485 3.223 50 0 GGAARN O=C(COc1ccc(Cl)cc1)NCCCn1nc(-c2ccccc2)ccc1=O ZINC000011738348 570431321 /nfs/dbraw/zinc/43/13/21/570431321.db2.gz GTZGNNVXJFUULV-UHFFFAOYSA-N 0 0 397.862 3.149 50 0 GGAARN O=C(CSc1ccc(NC(=O)c2ccccc2)nn1)NCc1ccc(F)cc1 ZINC000011737788 570431934 /nfs/dbraw/zinc/43/19/34/570431934.db2.gz RVQHWNFJTDWNLB-UHFFFAOYSA-N 0 0 396.447 3.277 50 0 GGAARN CC(C)(C)c1ccc(C(=O)NCCCn2nc(-c3cccnc3)ccc2=O)cc1 ZINC000011745534 570432232 /nfs/dbraw/zinc/43/22/32/570432232.db2.gz YMTVZVAOYGVMAD-UHFFFAOYSA-N 0 0 390.487 3.423 50 0 GGAARN Cc1ccc(Cn2nnc3c2ncnc3SCC(=O)NC2CCCCC2)cc1 ZINC000011758457 570433495 /nfs/dbraw/zinc/43/34/95/570433495.db2.gz CHIURTNMHVRBMZ-UHFFFAOYSA-N 0 0 396.520 3.119 50 0 GGAARN O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c(F)c1)[C@H](c1ccccc1)N1CCCN21 ZINC000245226168 570434259 /nfs/dbraw/zinc/43/42/59/570434259.db2.gz JOAKZCKRQZSRNR-OKZBNKHCSA-N 0 0 385.826 3.015 50 0 GGAARN O=C(NC[C@@H](O)c1ccc2c(c1)OCCO2)Nc1ccccc1C(F)(F)F ZINC000245187650 570434337 /nfs/dbraw/zinc/43/43/37/570434337.db2.gz ZSBLEWMGMDOVBZ-CQSZACIVSA-N 0 0 382.338 3.332 50 0 GGAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(=O)n(Cc2cccc(F)c2)n1 ZINC000011781406 570434737 /nfs/dbraw/zinc/43/47/37/570434737.db2.gz IYDYQTLRVFIWTO-UHFFFAOYSA-N 0 0 375.762 3.476 50 0 GGAARN C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)cc3C(=O)c3ccccc3)C(=O)[C@H]12 ZINC000245253647 570434951 /nfs/dbraw/zinc/43/49/51/570434951.db2.gz JXWSMZQSMITQLI-QLDGJZPUSA-N 0 0 393.826 3.404 50 0 GGAARN Cc1cc(C)cc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@H]34)C2O)c1 ZINC000245312033 570435332 /nfs/dbraw/zinc/43/53/32/570435332.db2.gz RXFYHRRDRDQGTJ-IVAOSVALSA-N 0 0 388.467 3.139 50 0 GGAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccnc4)[C@H]3C2=O)cc1 ZINC000245310685 570435351 /nfs/dbraw/zinc/43/53/51/570435351.db2.gz JSTGERLJWPAZMN-NJDAHSKKSA-N 0 0 385.423 3.441 50 0 GGAARN Cc1cc(NC(=O)CCCSc2ccc(NC(=O)c3ccco3)nn2)on1 ZINC000011794445 570435532 /nfs/dbraw/zinc/43/55/32/570435532.db2.gz IRSYTCXOFACOFR-UHFFFAOYSA-N 0 0 387.421 3.129 50 0 GGAARN Cc1ccccc1CNC(=O)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 ZINC000244594222 570435747 /nfs/dbraw/zinc/43/57/47/570435747.db2.gz DIPUPMOUQCSZBN-IYARVYRRSA-N 0 0 379.460 3.044 50 0 GGAARN Cc1cccn2cc(CN3CCCn4nc([C@@H](O)c5ccccc5)cc4C3)nc12 ZINC000223001433 570436365 /nfs/dbraw/zinc/43/63/65/570436365.db2.gz OOJDIIDGOJVEIZ-QFIPXVFZSA-N 0 0 387.487 3.327 50 0 GGAARN Cn1cccc1[C@@H](CNS(=O)(=O)c1ccc2ccccc2c1)N1CCCC1 ZINC000011846880 570437872 /nfs/dbraw/zinc/43/78/72/570437872.db2.gz CKSOOYMBUKGUKR-OAQYLSRUSA-N 0 0 383.517 3.294 50 0 GGAARN CC(=O)Nc1cc(-c2cccs2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000011855209 570439023 /nfs/dbraw/zinc/43/90/23/570439023.db2.gz OACQWDOIEUEJCF-UHFFFAOYSA-N 0 0 377.429 3.310 50 0 GGAARN CCCCS(=O)(=O)c1nnc(NC(=O)c2ccc(OCC(C)C)cc2)s1 ZINC000027664119 570439307 /nfs/dbraw/zinc/43/93/07/570439307.db2.gz ZLQCAFJHUWPZNE-UHFFFAOYSA-N 0 0 397.522 3.399 50 0 GGAARN COc1cccc(COc2coc(C(=O)NCc3ccc(C)cc3)cc2=O)c1 ZINC000011856941 570439503 /nfs/dbraw/zinc/43/95/03/570439503.db2.gz LZULOLQSLGNNAV-UHFFFAOYSA-N 0 0 379.412 3.466 50 0 GGAARN COc1ccc(CC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)cc1 ZINC000027740033 570440764 /nfs/dbraw/zinc/44/07/64/570440764.db2.gz JEFWNRCLJGUQCF-UHFFFAOYSA-N 0 0 385.445 3.412 50 0 GGAARN CN(CCc1ccccc1)C(=O)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 ZINC000248085768 570440934 /nfs/dbraw/zinc/44/09/34/570440934.db2.gz DLGTXEXYSLUDKF-WGSAOQKQSA-N 0 0 393.487 3.120 50 0 GGAARN Cc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@H]34)C2O)cc1C ZINC000248176524 570440952 /nfs/dbraw/zinc/44/09/52/570440952.db2.gz ZHQNWZMABXGLTE-ANULTFPQSA-N 0 0 388.467 3.139 50 0 GGAARN CN(Cc1ccsc1)C(=O)c1ccc2c(c1)[nH]c(=O)n2[C@H]1CC[C@H](O)CC1 ZINC000248156292 570440956 /nfs/dbraw/zinc/44/09/56/570440956.db2.gz ZFMXZHSWORLMED-WKILWMFISA-N 0 0 385.489 3.139 50 0 GGAARN COc1cccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)c1 ZINC000027749232 570442167 /nfs/dbraw/zinc/44/21/67/570442167.db2.gz VSWQYYCPJSBXOJ-NRFANRHFSA-N 0 0 393.443 3.027 50 0 GGAARN COc1ccc(N2C[C@H](c3noc(-c4ccc(F)cc4)n3)CC2=O)cc1OC ZINC000044417753 570444759 /nfs/dbraw/zinc/44/47/59/570444759.db2.gz OVIVUOVNUJIDNN-CYBMUJFWSA-N 0 0 383.379 3.413 50 0 GGAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253499837 570445012 /nfs/dbraw/zinc/44/50/12/570445012.db2.gz PIGIYBRGSJKHQI-ALGKDEKDSA-N 0 0 390.520 3.173 50 0 biogenic GGAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(Cl)cc2)cc1C ZINC000100787764 570445436 /nfs/dbraw/zinc/44/54/36/570445436.db2.gz KFSQEFDKOQQRBS-ZCNNSNEGSA-N 0 0 395.890 3.492 50 0 GGAARN COc1ccc(-c2oc3cc(C)ccc3c(=O)c2OS(C)(=O)=O)cc1OC ZINC000001910325 570446905 /nfs/dbraw/zinc/44/69/05/570446905.db2.gz CHYCUENKHMWZQP-UHFFFAOYSA-N 0 0 390.413 3.124 50 0 GGAARN CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1nc2ccccc2n1C ZINC000223220098 570450671 /nfs/dbraw/zinc/45/06/71/570450671.db2.gz VDQBCFSYOCVCTA-IIBYNOLFSA-N 0 0 390.487 3.440 50 0 GGAARN Cc1cc2s/c(=N/C(=O)c3cccc(N4C(=O)CCC4=O)c3)n(C)c2c(C)c1 ZINC000100819195 570451149 /nfs/dbraw/zinc/45/11/49/570451149.db2.gz CBFMCQYITFQQSB-QURGRASLSA-N 0 0 393.468 3.251 50 0 GGAARN Cc1cc(O)cc(=O)n1CCCC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000223228701 570451393 /nfs/dbraw/zinc/45/13/93/570451393.db2.gz RNMSZETVGLXKME-HXUWFJFHSA-N 0 0 382.464 3.032 50 0 GGAARN O=C(Nc1ccccc1F)c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000011027712 570452182 /nfs/dbraw/zinc/45/21/82/570452182.db2.gz GSARCIJXAGXXHB-OAHLLOKOSA-N 0 0 399.447 3.301 50 0 GGAARN COc1cccc(C[C@@H]2CC(=O)N(c3ccc4c(C)cc(=O)oc4c3)C2=O)c1 ZINC000000795430 570452476 /nfs/dbraw/zinc/45/24/76/570452476.db2.gz SXZFSVZQAKMZGP-OAHLLOKOSA-N 0 0 377.396 3.232 50 0 biogenic GGAARN COC(=O)[C@H](C)Oc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000000630423 570452479 /nfs/dbraw/zinc/45/24/79/570452479.db2.gz SRMAWBNJPJCWAY-LBPRGKRZSA-N 0 0 382.368 3.172 50 0 biogenic GGAARN CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)C2CCCC2)n1 ZINC000012007112 570453908 /nfs/dbraw/zinc/45/39/08/570453908.db2.gz PNXLHRUXQQDASU-UHFFFAOYSA-N 0 0 381.436 3.297 50 0 GGAARN O=C(Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1)C1CC1 ZINC000012009055 570454411 /nfs/dbraw/zinc/45/44/11/570454411.db2.gz VEWRRGKTQNPYIM-UHFFFAOYSA-N 0 0 387.399 3.231 50 0 GGAARN CCc1ccc2oc(C(=O)NC[C@@H](c3ccccc3OC)N(C)C)cc(=O)c2c1 ZINC000028289179 570454971 /nfs/dbraw/zinc/45/49/71/570454971.db2.gz RXXLXWTXNCPWPP-SFHVURJKSA-N 0 0 394.471 3.397 50 0 GGAARN COc1ccccc1[C@@H](CNC(=O)c1cc(=O)c2ccc(C)c(C)c2o1)N(C)C ZINC000028288377 570455142 /nfs/dbraw/zinc/45/51/42/570455142.db2.gz ZAAQLSXHXTUNCJ-GOSISDBHSA-N 0 0 394.471 3.451 50 0 GGAARN COc1ccccc1[C@@H](CNC(=O)c1cc(=O)c2cc(C)cc(C)c2o1)N(C)C ZINC000028289037 570455196 /nfs/dbraw/zinc/45/51/96/570455196.db2.gz BDEZEEAGTDTOLZ-GOSISDBHSA-N 0 0 394.471 3.451 50 0 GGAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCN(CCc2ccccn2)CC1 ZINC000028288605 570455204 /nfs/dbraw/zinc/45/52/04/570455204.db2.gz DYUPMOXMELGCMX-UHFFFAOYSA-N 0 0 396.878 3.391 50 0 GGAARN Cc1cc(C)c2oc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)cc(=O)c2c1 ZINC000028290021 570455582 /nfs/dbraw/zinc/45/55/82/570455582.db2.gz GYAVGCVVFHJNKW-LBPRGKRZSA-N 0 0 378.384 3.382 50 0 GGAARN COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)no2)cc1 ZINC000028290401 570455645 /nfs/dbraw/zinc/45/56/45/570455645.db2.gz BYCSNMJPDIQYCF-NSHDSACASA-N 0 0 379.372 3.322 50 0 GGAARN COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)N(C)C)cc1 ZINC000028289536 570455692 /nfs/dbraw/zinc/45/56/92/570455692.db2.gz STSAJMJTIGMDSH-LJQANCHMSA-N 0 0 394.471 3.451 50 0 GGAARN Cc1cc2oc(C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)cc(=O)c2cc1C ZINC000028290028 570455714 /nfs/dbraw/zinc/45/57/14/570455714.db2.gz NKNCODVJEGASSG-GFCCVEGCSA-N 0 0 378.384 3.382 50 0 GGAARN CCN(C(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)c1ccccc1 ZINC000028301695 570457647 /nfs/dbraw/zinc/45/76/47/570457647.db2.gz DJQOHXYOIIJLTJ-VAWYXSNFSA-N 0 0 399.443 3.322 50 0 GGAARN Cc1cc2oc(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)cc(=O)c2cc1Cl ZINC000028404091 570459070 /nfs/dbraw/zinc/45/90/70/570459070.db2.gz DUEYPGKAPHBVMK-UHFFFAOYSA-N 0 0 398.802 3.362 50 0 GGAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCN(Cc2ccncc2)CC1 ZINC000028694428 570463032 /nfs/dbraw/zinc/46/30/32/570463032.db2.gz BPSDNVOZXJWGSX-UHFFFAOYSA-N 0 0 382.851 3.348 50 0 GGAARN O=C(N[C@@H](c1ccco1)c1ccccc1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172701971 570465099 /nfs/dbraw/zinc/46/50/99/570465099.db2.gz HQLUTRBXZCLXRV-OAQYLSRUSA-N 0 0 389.455 3.433 50 0 GGAARN O=C(N[C@H](c1ccco1)c1ccccc1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172701968 570465511 /nfs/dbraw/zinc/46/55/11/570465511.db2.gz HQLUTRBXZCLXRV-NRFANRHFSA-N 0 0 389.455 3.433 50 0 GGAARN OCCNc1nc(N2CCN(c3cccc(Cl)c3)CC2)nc2ccccc21 ZINC000029078457 570468096 /nfs/dbraw/zinc/46/80/96/570468096.db2.gz SEYRDGFTOLIYGI-UHFFFAOYSA-N 0 0 383.883 3.014 50 0 GGAARN CCN(CC)C(=O)c1cc2c(nc3c(C)cccn3c2=O)n1Cc1ccccc1 ZINC000002339993 570472647 /nfs/dbraw/zinc/47/26/47/570472647.db2.gz NCDFNTFXECWHSY-UHFFFAOYSA-N 0 0 388.471 3.488 50 0 GGAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@@H](c1ccc(F)cc1)N1CCCN21 ZINC000136838084 570479003 /nfs/dbraw/zinc/47/90/03/570479003.db2.gz YMYCVMUCCUIHBP-RCCFBDPRSA-N 0 0 385.826 3.015 50 0 GGAARN COc1cc(Cl)cc2cc(C(=O)N3CCn4nc([C@H](C)O)cc4C3)oc21 ZINC000223719423 570481436 /nfs/dbraw/zinc/48/14/36/570481436.db2.gz CYYPDTVKRKSTQR-JTQLQIEISA-N 0 0 375.812 3.001 50 0 GGAARN O=C(C=Cc1cccs1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000253609987 570484157 /nfs/dbraw/zinc/48/41/57/570484157.db2.gz IFIIWMFUGPPYRM-BQYQJAHWSA-N 0 0 381.457 3.041 50 0 GGAARN CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000066345365 570484660 /nfs/dbraw/zinc/48/46/60/570484660.db2.gz LORGOVANWRIQEO-OAHLLOKOSA-N 0 0 384.455 3.223 50 0 GGAARN O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)c2ccccc12)c1ccccc1 ZINC000000823152 570485155 /nfs/dbraw/zinc/48/51/55/570485155.db2.gz NBPMEEITQYFENA-UHFFFAOYSA-N 0 0 396.468 3.113 50 0 GGAARN Cc1ccc(NC(=O)CSc2nnc3ccc(-c4ccncc4)nn32)cc1 ZINC000005168492 570490684 /nfs/dbraw/zinc/49/06/84/570490684.db2.gz HQMJQSSSZLHCOA-UHFFFAOYSA-N 0 0 376.445 3.226 50 0 GGAARN O=C(CSc1nnc2ccc(-c3cccnc3)nn21)Nc1ccc(F)c(F)c1 ZINC000005168466 570490800 /nfs/dbraw/zinc/49/08/00/570490800.db2.gz PITNMLLHJNCMET-UHFFFAOYSA-N 0 0 398.398 3.195 50 0 GGAARN CCOC(=O)Cc1csc(NC(=O)c2cccc(Nc3ncccn3)c2)n1 ZINC000030580592 570491830 /nfs/dbraw/zinc/49/18/30/570491830.db2.gz RUPWAWQTCTYMRW-UHFFFAOYSA-N 0 0 383.433 3.035 50 0 GGAARN COc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4ccccn4)cs3)CC2=O)cc1 ZINC000030608902 570492381 /nfs/dbraw/zinc/49/23/81/570492381.db2.gz XUKHGOBTSYRDGO-ZDUSSCGKSA-N 0 0 394.456 3.205 50 0 GGAARN COc1cc2c(cc1OC)CN(C(=O)Cn1cc(C(C)=O)c3ccccc31)CC2 ZINC000032123866 570493958 /nfs/dbraw/zinc/49/39/58/570493958.db2.gz UKHOOLCSSAFJJS-UHFFFAOYSA-N 0 0 392.455 3.446 50 0 biogenic GGAARN Cc1cccc2sc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc21 ZINC000005181503 570496018 /nfs/dbraw/zinc/49/60/18/570496018.db2.gz IYKWXEDJKSFAHQ-QGZVFWFLSA-N 0 0 395.484 3.093 50 0 GGAARN CCOc1cc2c(cc1NC(=O)CNC(=O)c1cc(F)cc(F)c1)O[C@H](C)C2 ZINC000113415392 570496131 /nfs/dbraw/zinc/49/61/31/570496131.db2.gz DVEAURYKBOPEJG-LLVKDONJSA-N 0 0 390.386 3.055 50 0 GGAARN COc1ccc(C(=O)NCCc2nc(-c3ccccc3Cl)no2)cc1OC ZINC000004502206 570497352 /nfs/dbraw/zinc/49/73/52/570497352.db2.gz ONBMAGTXOIHSIZ-UHFFFAOYSA-N 0 0 387.823 3.380 50 0 GGAARN Cc1nc(SCC(=O)NCc2ccccc2)[nH]c(=O)c1Cc1ccccc1 ZINC000004626369 570497905 /nfs/dbraw/zinc/49/79/05/570497905.db2.gz MEIGGEDEPLDQNS-UHFFFAOYSA-N 0 0 379.485 3.490 50 0 GGAARN N=C1NC(=O)/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)S1 ZINC000005027264 570498652 /nfs/dbraw/zinc/49/86/52/570498652.db2.gz ZNSKMUNPWOSNTH-YVLHZVERSA-N 0 0 376.441 3.419 50 0 GGAARN COC(=O)c1sc2ccccc2c1NC(=O)CS(=O)(=O)c1ccccc1 ZINC000005189810 570498675 /nfs/dbraw/zinc/49/86/75/570498675.db2.gz JYGXVFNIHNJWIC-UHFFFAOYSA-N 0 0 389.454 3.100 50 0 GGAARN CSc1nc2ncc3c(ccn(-c4ccc(OC(F)(F)F)cc4)c3=O)n2n1 ZINC000030875231 570500620 /nfs/dbraw/zinc/50/06/20/570500620.db2.gz JWFUUMTXIFQTHH-UHFFFAOYSA-N 0 0 393.350 3.049 50 0 GGAARN COCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)n2c3ccccc3nc21 ZINC000030937507 570501542 /nfs/dbraw/zinc/50/15/42/570501542.db2.gz NJECLOKZQPHQJV-LJQANCHMSA-N 0 0 392.459 3.298 50 0 GGAARN Cc1cc(C)cc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccccc2)c1 ZINC000000870142 570501804 /nfs/dbraw/zinc/50/18/04/570501804.db2.gz JCKHLAANAPYXIG-UHFFFAOYSA-N 0 0 398.484 3.408 50 0 GGAARN Cn1c(=O)c2ccccc2n(CC(=O)N(C2CCCCC2)C2CCCCC2)c1=O ZINC000030947916 570501967 /nfs/dbraw/zinc/50/19/67/570501967.db2.gz ACTSBJXWZPPTEL-UHFFFAOYSA-N 0 0 397.519 3.194 50 0 GGAARN CCc1noc(CN(CC)C(=O)NCc2csc(Cc3ccccc3)n2)n1 ZINC000426621788 570501984 /nfs/dbraw/zinc/50/19/84/570501984.db2.gz RWCOBRASKCEXCQ-UHFFFAOYSA-N 0 0 385.493 3.411 50 0 GGAARN Cc1cccc(C(=O)N2CCC[C@H](c3nnc(CN4CCCCC4)n3C)C2)c1 ZINC000426627845 570502719 /nfs/dbraw/zinc/50/27/19/570502719.db2.gz UHTICSRRHYABLJ-IBGZPJMESA-N 0 0 381.524 3.129 50 0 GGAARN COc1cc(OC)c(OC)cc1CNCc1cc(OC)c(OC)c(OC)c1 ZINC000002063829 570503366 /nfs/dbraw/zinc/50/33/66/570503366.db2.gz UPMAKCQOHPBYTE-UHFFFAOYSA-N 0 0 377.437 3.028 50 0 GGAARN Cc1cccc(C[C@@H](C)NC(=O)c2cccc(-c3cc(N(C)C)ncn3)c2)n1 ZINC000426633686 570503532 /nfs/dbraw/zinc/50/35/32/570503532.db2.gz AAGRFWFVPZFUEF-MRXNPFEDSA-N 0 0 375.476 3.274 50 0 GGAARN Cc1cc(C)nc(N2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)n1 ZINC000002684051 570503917 /nfs/dbraw/zinc/50/39/17/570503917.db2.gz FRRVLVPMRRFNBE-UHFFFAOYSA-N 0 0 380.521 3.304 50 0 GGAARN O=C(c1cnc2sccn2c1=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031394716 570504338 /nfs/dbraw/zinc/50/43/38/570504338.db2.gz NCKDHGVTOBZDHS-ZDUSSCGKSA-N 0 0 382.470 3.343 50 0 GGAARN Cc1c(NC(=S)Nc2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C ZINC000002698110 570504843 /nfs/dbraw/zinc/50/48/43/570504843.db2.gz ZNMSKFVKBVCPAJ-UHFFFAOYSA-N 0 0 382.445 3.022 50 0 GGAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(O)c2)N1c1nncs1 ZINC000002704350 570505952 /nfs/dbraw/zinc/50/59/52/570505952.db2.gz OZCKWCDSKOYZKF-HNNXBMFYSA-N 0 0 377.381 3.100 50 0 GGAARN CCOc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccc(C)cc3)nn21 ZINC000031816877 570506327 /nfs/dbraw/zinc/50/63/27/570506327.db2.gz CKQHSNKBIQIDBM-MRXNPFEDSA-N 0 0 391.431 3.174 50 0 GGAARN COC(=O)c1c2c(sc1NC(=O)[C@@H]1Cc3ccccc3C(=O)O1)CCCC2 ZINC000002708385 570506546 /nfs/dbraw/zinc/50/65/46/570506546.db2.gz RZHQKEHUOJBXON-AWEZNQCLSA-N 0 0 385.441 3.134 50 0 GGAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1 ZINC000006622722 570506907 /nfs/dbraw/zinc/50/69/07/570506907.db2.gz UELWDRJOJIMXEN-UHFFFAOYSA-N 0 0 389.333 3.268 50 0 GGAARN COc1ccccc1NC(=O)[C@@H]1CCCN(c2ccc3nnc(C(C)C)n3n2)C1 ZINC000032093036 570507903 /nfs/dbraw/zinc/50/79/03/570507903.db2.gz NXPKPWJKHQJJES-OAHLLOKOSA-N 0 0 394.479 3.111 50 0 GGAARN O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)N1CCc2ccccc21 ZINC000002720490 570508512 /nfs/dbraw/zinc/50/85/12/570508512.db2.gz QXGFABSYDNMSNL-KRWDZBQOSA-N 0 0 395.440 3.264 50 0 GGAARN C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)o1 ZINC000002720478 570508620 /nfs/dbraw/zinc/50/86/20/570508620.db2.gz JBTOJWCCVPOONO-GFCCVEGCSA-N 0 0 375.450 3.001 50 0 GGAARN COc1ccc(-n2ccnc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000002723196 570509058 /nfs/dbraw/zinc/50/90/58/570509058.db2.gz ZRAVLJMZUVZVER-UHFFFAOYSA-N 0 0 397.456 3.018 50 0 GGAARN Cc1ccccc1-c1nnc(NC(=O)N2CCC(Oc3ncccn3)CC2)s1 ZINC000032513771 570510645 /nfs/dbraw/zinc/51/06/45/570510645.db2.gz WCLWAHFCEUMMHE-UHFFFAOYSA-N 0 0 396.476 3.379 50 0 GGAARN COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)C[S@](=O)C3)c1 ZINC000002725000 570510846 /nfs/dbraw/zinc/51/08/46/570510846.db2.gz KSCKTVLPXAVXJS-MHZLTWQESA-N 0 0 381.457 3.204 50 0 GGAARN COc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)C[S@](=O)C2 ZINC000002724994 570510911 /nfs/dbraw/zinc/51/09/11/570510911.db2.gz DJUSDPOSNPYGNM-MHZLTWQESA-N 0 0 381.457 3.204 50 0 GGAARN Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)c2ccc(F)cc2)n1C ZINC000032579318 570511284 /nfs/dbraw/zinc/51/12/84/570511284.db2.gz TZYQRGFCWMHOLK-UHFFFAOYSA-N 0 0 398.463 3.419 50 0 GGAARN Cc1ccnn1CC1N=NC(=S)N1c1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000002730907 570511710 /nfs/dbraw/zinc/51/17/10/570511710.db2.gz HGNFWJVRDYNIEF-UHFFFAOYSA-N 0 0 393.520 3.279 50 0 GGAARN O=C1CCN(c2ccccc2-c2nc(Cc3ccccc3Cl)no2)C(=O)N1 ZINC000032587337 570511803 /nfs/dbraw/zinc/51/18/03/570511803.db2.gz YWTUTIAAQZVPOP-UHFFFAOYSA-N 0 0 382.807 3.427 50 0 GGAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 ZINC000002763538 570512240 /nfs/dbraw/zinc/51/22/40/570512240.db2.gz JYCIUPQOWQQBLL-LLVKDONJSA-N 0 0 391.807 3.319 50 0 GGAARN COc1ccc2[nH]cc(C(=O)CN3CCc4cc(OC)c(OC)cc4C3)c2c1 ZINC000036025455 570512741 /nfs/dbraw/zinc/51/27/41/570512741.db2.gz YUNVNLCVJGQHIJ-UHFFFAOYSA-N 0 0 380.444 3.435 50 0 biogenic GGAARN Cn1c2ccccc2c2nnc(SCCCn3c4ccccc4[nH]c3=O)nc21 ZINC000002745826 570513125 /nfs/dbraw/zinc/51/31/25/570513125.db2.gz SNNNNMXCZKIJFT-UHFFFAOYSA-N 0 0 390.472 3.342 50 0 GGAARN O=c1/c(=C\C2=Cc3ccccc3OC2)sc2nc(/C=C/c3ccccc3)nn12 ZINC000005218681 570513340 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Cc1c(CN(C)C(=S)Nc2cnn(Cc3ccc(Cl)cc3)c2)cnn1C ZINC000002803061 570517123 /nfs/dbraw/zinc/51/71/23/570517123.db2.gz DUFHMEYSNUFKPX-UHFFFAOYSA-N 0 0 388.928 3.456 50 0 GGAARN CCn1cc(-c2cc(C(=O)NCc3cn(C)nc3C)c3ccccc3n2)c(C)n1 ZINC000002803129 570517139 /nfs/dbraw/zinc/51/71/39/570517139.db2.gz JQRNKOGWGKYGAZ-UHFFFAOYSA-N 0 0 388.475 3.399 50 0 GGAARN O=C(Nc1ccc(F)cc1F)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000002802414 570517413 /nfs/dbraw/zinc/51/74/13/570517413.db2.gz ZHYHCKOOFGWPNH-LBPRGKRZSA-N 0 0 398.406 3.143 50 0 GGAARN CCOC(=O)c1sc(NC(=O)c2cnn(CC)c2)c(C(=O)OC(C)C)c1C ZINC000002792025 570517768 /nfs/dbraw/zinc/51/77/68/570517768.db2.gz UXNNCXMWXVKQBW-UHFFFAOYSA-N 0 0 393.465 3.267 50 0 GGAARN Cc1cc(C)n(Cc2cccc(NC(=O)c3nn4cccnc4c3Cl)c2)n1 ZINC000002795735 570518409 /nfs/dbraw/zinc/51/84/09/570518409.db2.gz XRPYMOHLSIBRQT-UHFFFAOYSA-N 0 0 380.839 3.497 50 0 GGAARN CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](CO)CCN2C(=O)OCc1ccccc1 ZINC000382038672 570518714 /nfs/dbraw/zinc/51/87/14/570518714.db2.gz 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ZINC000606422380 570522772 /nfs/dbraw/zinc/52/27/72/570522772.db2.gz SZPJQLNOVFCDKC-INIZCTEOSA-N 0 0 396.472 3.488 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1OC ZINC000033270453 570522822 /nfs/dbraw/zinc/52/28/22/570522822.db2.gz KWKOVSIBNFKRLJ-OAHLLOKOSA-N 0 0 380.466 3.341 50 0 GGAARN CCc1onc(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000033270497 570522839 /nfs/dbraw/zinc/52/28/39/570522839.db2.gz ZOKVPXDSXDQGKE-INIZCTEOSA-N 0 0 377.466 3.030 50 0 GGAARN CCN(CC)S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C(=O)CC(C)C ZINC000005234871 570523756 /nfs/dbraw/zinc/52/37/56/570523756.db2.gz WVDVGGQLBFSFEZ-UHFFFAOYSA-N 0 0 388.489 3.403 50 0 GGAARN O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)NC[C@H]1CCCO1 ZINC000033318088 570524617 /nfs/dbraw/zinc/52/46/17/570524617.db2.gz MWOXZJWDEUDMKM-GOSISDBHSA-N 0 0 379.416 3.078 50 0 GGAARN CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=O)[C@H]1C ZINC000033359423 570525903 /nfs/dbraw/zinc/52/59/03/570525903.db2.gz DTEKTGDVSARYDS-LLVKDONJSA-N 0 0 391.422 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CC(=O)c1ccc(N2CCN(C(=O)COc3ccc(F)cc3)[C@@H](C)C2)c(F)c1 ZINC000001133945 570534926 /nfs/dbraw/zinc/53/49/26/570534926.db2.gz ADXUCDRDODWUSQ-AWEZNQCLSA-N 0 0 388.414 3.284 50 0 GGAARN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC(c1ccccc1)c1ccccc1 ZINC000206240945 570536107 /nfs/dbraw/zinc/53/61/07/570536107.db2.gz DBJQIRFDQDQSND-FQEVSTJZSA-N 0 0 399.450 3.033 50 0 GGAARN Cc1sc2nc([C@@H](C)N3CCN(C(=O)c4ccoc4)CC3)nc(N)c2c1C ZINC000095349476 570540662 /nfs/dbraw/zinc/54/06/62/570540662.db2.gz WBDPBMKIPPPXRZ-GFCCVEGCSA-N 0 0 385.493 3.002 50 0 GGAARN Cc1sc2nc([C@H](C)N3CCN(C(=O)c4ccoc4)CC3)nc(N)c2c1C ZINC000095349477 570540683 /nfs/dbraw/zinc/54/06/83/570540683.db2.gz WBDPBMKIPPPXRZ-LBPRGKRZSA-N 0 0 385.493 3.002 50 0 GGAARN O=C(NC[C@@H]1CCCO1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000004952914 570540711 /nfs/dbraw/zinc/54/07/11/570540711.db2.gz ZLDJSYPBEYPLAT-MISXGVKJSA-N 0 0 384.358 3.045 50 0 GGAARN O=C(Nc1ccc(Nc2ccc(N3CCOCC3)nn2)cc1)c1cccs1 ZINC000006703571 570541617 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COC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1 ZINC000034845100 570544990 /nfs/dbraw/zinc/54/49/90/570544990.db2.gz DBXFMOWZRXXBRN-WBVHZDCISA-N 0 0 398.887 3.220 50 0 in-vitro GGAARN COc1ccc(NC(=O)C2CCC(Cn3nnc4ccccc4c3=O)CC2)cc1 ZINC000005269705 570545082 /nfs/dbraw/zinc/54/50/82/570545082.db2.gz VMXPVQYZMZMVJU-UHFFFAOYSA-N 0 0 392.459 3.245 50 0 GGAARN Cc1ccc(Cn2cccc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1 ZINC000005270185 570546068 /nfs/dbraw/zinc/54/60/68/570546068.db2.gz PBIJQOLIALMFMD-UHFFFAOYSA-N 0 0 376.412 3.229 50 0 GGAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1nc2ccccc2s1 ZINC000097531350 570546491 /nfs/dbraw/zinc/54/64/91/570546491.db2.gz RINUMBJFGVGYNC-CQSZACIVSA-N 0 0 380.429 3.415 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C ZINC000035241726 570550603 /nfs/dbraw/zinc/55/06/03/570550603.db2.gz RZLBFMNFIMQNOL-RMKNXTFCSA-N 0 0 386.517 3.023 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(OC)ccc3[nH]2)cc1 ZINC000009187528 570550762 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CCc1ccc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)cc1 ZINC000004328028 570573047 /nfs/dbraw/zinc/57/30/47/570573047.db2.gz WXVZBLQLGQHBOZ-UHFFFAOYSA-N 0 0 390.472 3.480 50 0 GGAARN O=C(CSc1nnc(NC(=O)Cc2ccc(F)cc2)s1)NC1CCCC1 ZINC000004328783 570573399 /nfs/dbraw/zinc/57/33/99/570573399.db2.gz YEWQTASHVQMCFX-UHFFFAOYSA-N 0 0 394.497 3.009 50 0 GGAARN COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc(OC)c(OC)c3)o2)c1 ZINC000004330128 570573786 /nfs/dbraw/zinc/57/37/86/570573786.db2.gz PKEZEQMNICVHTM-UHFFFAOYSA-N 0 0 385.376 3.023 50 0 GGAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)c(F)c3)n2)cc1OC ZINC000005388739 570578812 /nfs/dbraw/zinc/57/88/12/570578812.db2.gz KZMYSACZXHEEDL-UHFFFAOYSA-N 0 0 397.406 3.014 50 0 GGAARN CC(=O)c1ccc(NC(=O)Cn2nc(-c3cc(C)ccc3C)ccc2=O)cc1 ZINC000005410042 570586314 /nfs/dbraw/zinc/58/63/14/570586314.db2.gz IDFYETCRICBMQJ-UHFFFAOYSA-N 0 0 375.428 3.368 50 0 GGAARN Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NC1CCCCC1)CSC2 ZINC000005437676 570592678 /nfs/dbraw/zinc/59/26/78/570592678.db2.gz 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ZINC000012062141 570603986 /nfs/dbraw/zinc/60/39/86/570603986.db2.gz JLMVPTUESQKEBP-KRWDZBQOSA-N 0 0 390.487 3.390 50 0 GGAARN O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000012091659 570607711 /nfs/dbraw/zinc/60/77/11/570607711.db2.gz NRRQJVLDXIDDIQ-OAHLLOKOSA-N 0 0 395.484 3.353 50 0 GGAARN COc1ccc(CCc2nnc(CCC(=O)NCc3ccc(C)cc3)o2)cc1 ZINC000012092044 570607723 /nfs/dbraw/zinc/60/77/23/570607723.db2.gz AQJKMMOZJNCKLF-UHFFFAOYSA-N 0 0 379.460 3.421 50 0 GGAARN OCCNc1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc21 ZINC000041150064 570615530 /nfs/dbraw/zinc/61/55/30/570615530.db2.gz UGYWUZPQPFISAK-UHFFFAOYSA-N 0 0 383.883 3.014 50 0 GGAARN OCCNc1nc(N2CCN(Cc3ccccc3Cl)CC2)nc2ccccc21 ZINC000041150053 570615554 /nfs/dbraw/zinc/61/55/54/570615554.db2.gz VOLVOZPJCAGWIE-UHFFFAOYSA-N 0 0 397.910 3.010 50 0 GGAARN O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)[C@@H]1COc2ccccc2O1 ZINC000004107399 570618981 /nfs/dbraw/zinc/61/89/81/570618981.db2.gz FQMGUWDZEVQFSX-SFHVURJKSA-N 0 0 377.400 3.394 50 0 GGAARN O=C1N[C@H](c2ccc(Cl)cc2)C(=C(O)c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000169703528 570624184 /nfs/dbraw/zinc/62/41/84/570624184.db2.gz VHPRPHVOYMJCDB-VBQJREDUSA-N 0 0 398.768 3.444 50 0 GGAARN Cc1cc2ncn(C[C@@H](O)CN3C(=O)N[C@](C)(C4CCCCC4)C3=O)c2cc1C ZINC000328688523 570624953 /nfs/dbraw/zinc/62/49/53/570624953.db2.gz QAAUXVQCYVDRQX-VGOFRKELSA-N 0 0 398.507 3.109 50 0 GGAARN O=C(c1ccc(COc2ccc3c(c2)CCC3)o1)N1NC=C[C@]1(O)C(F)(F)F ZINC000006829262 570626489 /nfs/dbraw/zinc/62/64/89/570626489.db2.gz FKIDBQIORYJEFN-SFHVURJKSA-N 0 0 394.349 3.430 50 0 GGAARN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000044013945 570631008 /nfs/dbraw/zinc/63/10/08/570631008.db2.gz CNCKRSVKDWRPJA-UHFFFAOYSA-N 0 0 378.476 3.277 50 0 GGAARN O=C(CNC(=O)N1CCc2c3ccccc3[nH]c2C1)Nc1cccc2ncccc21 ZINC000012389003 570631754 /nfs/dbraw/zinc/63/17/54/570631754.db2.gz XOBXPMSKSPDNMJ-UHFFFAOYSA-N 0 0 399.454 3.423 50 0 biogenic GGAARN COc1ccc(CNC(=O)CCc2c(C)c3ccc(O)cc3oc2=O)cc1OC ZINC000004743289 570632186 /nfs/dbraw/zinc/63/21/86/570632186.db2.gz CFUHPXYWQJUOJZ-UHFFFAOYSA-N 0 0 397.427 3.073 50 0 biogenic GGAARN CCS(=O)(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2nccnc2c1 ZINC000012389163 570634301 /nfs/dbraw/zinc/63/43/01/570634301.db2.gz DPHQULLCCHEFSL-IBGZPJMESA-N 0 0 384.436 3.270 50 0 GGAARN CCOC(=O)C1C(c2ccc(OC)cc2)=NC(=O)N[C@@H]1c1ccccc1OC ZINC000000842271 570636320 /nfs/dbraw/zinc/63/63/20/570636320.db2.gz CIGHPQNKCDYTHX-LJQANCHMSA-N 0 0 382.416 3.032 50 0 GGAARN CC(C)(C)OC(=O)[C@@H](N)CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000169722961 570636732 /nfs/dbraw/zinc/63/67/32/570636732.db2.gz AIVZCRQHFXJCDY-IBGZPJMESA-N 0 0 382.460 3.194 50 0 GGAARN CCn1ccnc1CNC(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000012317701 570642196 /nfs/dbraw/zinc/64/21/96/570642196.db2.gz XAEABSIGPDAPJD-SFHVURJKSA-N 0 0 377.444 3.470 50 0 GGAARN CC(C)CN1[C@H](Cc2cccc3[nH]ccc32)[C@@H](O)c2ccccc2S1(=O)=O ZINC000012390368 570642771 /nfs/dbraw/zinc/64/27/71/570642771.db2.gz KLNVMQXXHHSCGO-CTNGQTDRSA-N 0 0 384.501 3.473 50 0 GGAARN O=C(CCS[C@@H]1CCc2ccccc2NC1=O)Nc1ccc(CCO)cc1 ZINC000012391305 570644335 /nfs/dbraw/zinc/64/43/35/570644335.db2.gz YWLMUGLVSHJQMX-LJQANCHMSA-N 0 0 384.501 3.237 50 0 GGAARN COc1ccccc1CCNC(=O)c1nc(Cc2c[nH]c3ccccc23)no1 ZINC000012391643 570644408 /nfs/dbraw/zinc/64/44/08/570644408.db2.gz WDSLQZWFCGPBSO-UHFFFAOYSA-N 0 0 376.416 3.123 50 0 GGAARN O=C(CCS[C@H]1CCc2ccccc2NC1=O)Nc1ccc(CCO)cc1 ZINC000012391306 570644453 /nfs/dbraw/zinc/64/44/53/570644453.db2.gz YWLMUGLVSHJQMX-IBGZPJMESA-N 0 0 384.501 3.237 50 0 GGAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000012380498 570649393 /nfs/dbraw/zinc/64/93/93/570649393.db2.gz AVJATFXTDNMPLY-GOSISDBHSA-N 0 0 388.471 3.260 50 0 GGAARN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000012380855 570649535 /nfs/dbraw/zinc/64/95/35/570649535.db2.gz GTXOWMVHQASTBT-CQSZACIVSA-N 0 0 388.851 3.218 50 0 GGAARN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012380389 570649537 /nfs/dbraw/zinc/64/95/37/570649537.db2.gz 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ZINC000012408446 570655362 /nfs/dbraw/zinc/65/53/62/570655362.db2.gz UTFOSJJPWKIMLQ-UHFFFAOYSA-N 0 0 377.441 3.172 50 0 GGAARN COc1ccccc1OCCNC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000012409499 570655675 /nfs/dbraw/zinc/65/56/75/570655675.db2.gz KWSYUTJRJQVIRC-UHFFFAOYSA-N 0 0 378.388 3.035 50 0 GGAARN CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c2ccccc12 ZINC000012411540 570655969 /nfs/dbraw/zinc/65/59/69/570655969.db2.gz DBKODOPPXHNFTQ-UHFFFAOYSA-N 0 0 395.434 3.261 50 0 biogenic,in-vitro GGAARN CCOC(=O)[C@](NCc1ccccc1)(NC(=O)c1cccc(F)c1)C(F)(F)F ZINC000012412233 570656281 /nfs/dbraw/zinc/65/62/81/570656281.db2.gz AYOWGGDQBMMFSQ-SFHVURJKSA-N 0 0 398.356 3.167 50 0 GGAARN CCOC(=O)[C@@](NCc1ccccc1)(NC(=O)c1cccc(F)c1)C(F)(F)F ZINC000012412232 570656548 /nfs/dbraw/zinc/65/65/48/570656548.db2.gz AYOWGGDQBMMFSQ-GOSISDBHSA-N 0 0 398.356 3.167 50 0 GGAARN COc1ccc(N2C[C@@H](c3nc(-c4ccccc4F)no3)CC2=O)cc1OC ZINC000012414348 570656674 /nfs/dbraw/zinc/65/66/74/570656674.db2.gz MVOYFXITPQLXLO-LBPRGKRZSA-N 0 0 383.379 3.413 50 0 GGAARN CCC(=O)N1c2ccccc2[C@]2(S[C@@H](C)C(=O)N2c2ccc(F)cc2)C1=O ZINC000012418232 570657304 /nfs/dbraw/zinc/65/73/04/570657304.db2.gz SSNPUCTUUBMIAE-YUNKPMOVSA-N 0 0 384.432 3.430 50 0 GGAARN Cc1coc2c1cc1c(C)c(CC(=O)N3CCc4[nH]cnc4C3)c(=O)oc1c2C ZINC000013569216 570657316 /nfs/dbraw/zinc/65/73/16/570657316.db2.gz YXIWSLWZMJLQLW-UHFFFAOYSA-N 0 0 391.427 3.315 50 0 biogenic GGAARN CCC(=O)N1c2ccccc2[C@@]2(S[C@H](C)C(=O)N2c2ccc(OC)cc2)C1=O ZINC000012418245 570657438 /nfs/dbraw/zinc/65/74/38/570657438.db2.gz VZOGFZSAEXTPTQ-LRTDBIEQSA-N 0 0 396.468 3.300 50 0 GGAARN Cc1coc2cc3oc(=O)c(CC(=O)N4CCc5[nH]cnc5C4)c(C)c3cc12 ZINC000013570367 570657885 /nfs/dbraw/zinc/65/78/85/570657885.db2.gz NFKKMLMENFVSJN-UHFFFAOYSA-N 0 0 377.400 3.007 50 0 biogenic GGAARN Cc1cc(=O)n(CC(=O)NCCc2ccc(Cl)cc2)c(-c2ccccc2)n1 ZINC000169752792 570658093 /nfs/dbraw/zinc/65/80/93/570658093.db2.gz GIQLLGVIJQRPIY-UHFFFAOYSA-N 0 0 381.863 3.231 50 0 GGAARN O=C(CCC1CCCCC1)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012429195 570658161 /nfs/dbraw/zinc/65/81/61/570658161.db2.gz CLENCZJZSIHNTI-UHFFFAOYSA-N 0 0 392.565 3.490 50 0 GGAARN O=C(NC[C@H]1CCCN(c2ncccn2)C1)Nc1nc(-c2ccccc2)ns1 ZINC000048428240 570658334 /nfs/dbraw/zinc/65/83/34/570658334.db2.gz LTXNIZCVEQOMIO-CQSZACIVSA-N 0 0 395.492 3.033 50 0 GGAARN O=C(c1ccc2nccnc2c1)N1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000048428312 570658351 /nfs/dbraw/zinc/65/83/51/570658351.db2.gz PJBUWYMEULHYTA-UHFFFAOYSA-N 0 0 376.464 3.356 50 0 GGAARN Cc1ccc(-c2cc(N3CCCN(C(=O)c4cccn4C)CC3)n[nH]2)cc1C ZINC000169753128 570658457 /nfs/dbraw/zinc/65/84/57/570658457.db2.gz ADTCMNOUFFGLQD-UHFFFAOYSA-N 0 0 377.492 3.385 50 0 GGAARN CN(CCc1nc2ccccc2[nH]1)C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012430360 570658504 /nfs/dbraw/zinc/65/85/04/570658504.db2.gz XLBKUYIYDHVREU-GOSISDBHSA-N 0 0 396.535 3.383 50 0 GGAARN O=C(Cn1cnc2ccccc21)N1CCC[C@](CO)(Cc2ccccc2F)C1 ZINC000012429783 570658676 /nfs/dbraw/zinc/65/86/76/570658676.db2.gz MVDBCLOEBCOMMR-QFIPXVFZSA-N 0 0 381.451 3.019 50 0 GGAARN CN(CCc1nc2ccccc2[nH]1)C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012430361 570658718 /nfs/dbraw/zinc/65/87/18/570658718.db2.gz XLBKUYIYDHVREU-SFHVURJKSA-N 0 0 396.535 3.383 50 0 GGAARN CCOc1ccccc1NC(=O)Cn1c(=O)cc(C)nc1-c1ccc(F)cc1 ZINC000169755666 570659438 /nfs/dbraw/zinc/65/94/38/570659438.db2.gz AZVUJXPGVUUDHM-UHFFFAOYSA-N 0 0 381.407 3.395 50 0 GGAARN O=C([C@@H]1CCC(=O)N(CCCc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000012431166 570659593 /nfs/dbraw/zinc/65/95/93/570659593.db2.gz WTFHJONKJTUKBJ-JOCHJYFZSA-N 0 0 376.500 3.443 50 0 GGAARN COc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4ccccc4)[nH]n3)C2)c(OC)c1 ZINC000169753868 570660212 /nfs/dbraw/zinc/66/02/12/570660212.db2.gz UOCRSEMKKJICPL-INIZCTEOSA-N 0 0 392.459 3.103 50 0 GGAARN COc1ccc(-c2cc(N3CCC[C@H](NC(=O)Cc4cccs4)C3)n[nH]2)cc1 ZINC000169753890 570660300 /nfs/dbraw/zinc/66/03/00/570660300.db2.gz FMXJGOURAQZCJQ-INIZCTEOSA-N 0 0 396.516 3.475 50 0 GGAARN COc1ccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc1 ZINC000169754085 570660535 /nfs/dbraw/zinc/66/05/35/570660535.db2.gz WSELILVMXPMQTK-QGZVFWFLSA-N 0 0 380.423 3.233 50 0 GGAARN O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCC[C@H]1c1ccccn1 ZINC000012433099 570660525 /nfs/dbraw/zinc/66/05/25/570660525.db2.gz YWFVNNZYQRLXDX-SFHVURJKSA-N 0 0 385.830 3.491 50 0 GGAARN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)CCn2nccc2C)C1 ZINC000012432809 570660577 /nfs/dbraw/zinc/66/05/77/570660577.db2.gz OXOJDSXZBXJFKG-QHCPKHFHSA-N 0 0 397.519 3.305 50 0 GGAARN COc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4ccc(OC)cc4)[nH]n3)C2)cc1 ZINC000169753994 570660635 /nfs/dbraw/zinc/66/06/35/570660635.db2.gz VEGQYSAXZIXDCX-KRWDZBQOSA-N 0 0 392.459 3.103 50 0 GGAARN CCOC(=O)[C@H]1CCCCN1C(=O)c1cc(COc2ccc(C)c(C)c2)on1 ZINC000012432493 570660811 /nfs/dbraw/zinc/66/08/11/570660811.db2.gz UHTUNUJSEXSZNE-LJQANCHMSA-N 0 0 386.448 3.428 50 0 GGAARN CC(C)OCCCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000012432502 570660849 /nfs/dbraw/zinc/66/08/49/570660849.db2.gz BMTSUMFCNLAPCQ-UHFFFAOYSA-N 0 0 388.508 3.011 50 0 GGAARN COc1cccc(CC(=O)N[C@H]2CCN(c3cc(-c4cccs4)[nH]n3)C2)c1 ZINC000169754202 570660970 /nfs/dbraw/zinc/66/09/70/570660970.db2.gz OMAQLAGJVMZOIM-HNNXBMFYSA-N 0 0 382.489 3.084 50 0 GGAARN COc1ccc(Cn2c(=O)c(CCO)c(C)nc2-c2ccc(F)cc2)cc1F ZINC000169754368 570660974 /nfs/dbraw/zinc/66/09/74/570660974.db2.gz UZXULBDKIOEZDX-UHFFFAOYSA-N 0 0 386.398 3.089 50 0 GGAARN CN(C)c1ccc(C(=O)N[C@H]2CCN(c3cc(-c4cccs4)[nH]n3)C2)cc1 ZINC000169754198 570660992 /nfs/dbraw/zinc/66/09/92/570660992.db2.gz RDVBGSGBEDGGDL-HNNXBMFYSA-N 0 0 381.505 3.213 50 0 GGAARN O=C(Cc1ccc2c(c1)OCO2)N1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000012433830 570661286 /nfs/dbraw/zinc/66/12/86/570661286.db2.gz XHKJKQJWJGCNTF-UHFFFAOYSA-N 0 0 379.391 3.072 50 0 GGAARN COC(=O)c1cccc(-c2nc([C@H]3CC(=O)N(c4ccc(F)cc4)C3)no2)c1 ZINC000169759448 570661380 /nfs/dbraw/zinc/66/13/80/570661380.db2.gz ACBKKYFXTZVCGS-AWEZNQCLSA-N 0 0 381.363 3.183 50 0 GGAARN Cc1ccc(C(=O)N2CCC(Cc3nc(-c4cnccn4)no3)CC2)cc1C ZINC000169754907 570661400 /nfs/dbraw/zinc/66/14/00/570661400.db2.gz NEKYKPMNXPNVRI-UHFFFAOYSA-N 0 0 377.448 3.238 50 0 GGAARN COC(=O)c1cccc(-c2nc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)no2)c1 ZINC000169759447 570661471 /nfs/dbraw/zinc/66/14/71/570661471.db2.gz ACBKKYFXTZVCGS-CQSZACIVSA-N 0 0 381.363 3.183 50 0 GGAARN O=C(NCc1ccccc1-n1ccnc1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012434116 570661612 /nfs/dbraw/zinc/66/16/12/570661612.db2.gz LDYZJPABNMLUPH-HXUWFJFHSA-N 0 0 394.519 3.307 50 0 GGAARN C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3F)c2C(N)=O)C1 ZINC000000849489 570661944 /nfs/dbraw/zinc/66/19/44/570661944.db2.gz USCLOTPSMJDUDP-SECBINFHSA-N 0 0 391.493 3.238 50 0 GGAARN COc1ccc(N2C[C@@H](c3noc(-c4ccc(OC)c(F)c4)n3)CC2=O)cc1 ZINC000169759508 570661920 /nfs/dbraw/zinc/66/19/20/570661920.db2.gz KSJOGZCANPMZDA-ZDUSSCGKSA-N 0 0 383.379 3.413 50 0 GGAARN COc1ccc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(F)cc3)C4)n2)cc1 ZINC000169758284 570662270 /nfs/dbraw/zinc/66/22/70/570662270.db2.gz AXXCYPNPSFRUCH-KRWDZBQOSA-N 0 0 393.378 3.414 50 0 GGAARN COc1ccccc1-c1noc(-c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)n1 ZINC000169758281 570662320 /nfs/dbraw/zinc/66/23/20/570662320.db2.gz VQNWXSDCNMADGK-QGZVFWFLSA-N 0 0 393.378 3.414 50 0 GGAARN COc1cccc([C@H]2Cn3nnc(-c4nc(-c5cccc(F)c5)no4)c3CO2)c1 ZINC000169758452 570662420 /nfs/dbraw/zinc/66/24/20/570662420.db2.gz HPIMUOXRDQXSFX-QGZVFWFLSA-N 0 0 393.378 3.414 50 0 GGAARN CCc1ccc(N2C[C@@H](c3noc(-c4ccc(OC)nc4OC)n3)CC2=O)cc1 ZINC000169760419 570663213 /nfs/dbraw/zinc/66/32/13/570663213.db2.gz VUHJAHACCWSCBL-AWEZNQCLSA-N 0 0 394.431 3.232 50 0 GGAARN COc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)N2CCCC2)cc1OC ZINC000000851226 570663239 /nfs/dbraw/zinc/66/32/39/570663239.db2.gz FOEMMWMDNGIHEW-XMHGGMMESA-N 0 0 394.471 3.406 50 0 GGAARN CCc1ccc(N2C[C@H](c3noc(-c4ccc(OC)nc4OC)n3)CC2=O)cc1 ZINC000169760420 570663303 /nfs/dbraw/zinc/66/33/03/570663303.db2.gz VUHJAHACCWSCBL-CQSZACIVSA-N 0 0 394.431 3.232 50 0 GGAARN O=C(NC1CCCCCC1)c1cc2n(n1)C[C@@H](c1ccc3c(c1)OCO3)OC2 ZINC000169759738 570663729 /nfs/dbraw/zinc/66/37/29/570663729.db2.gz YQSGVOPHAIACCS-FQEVSTJZSA-N 0 0 383.448 3.336 50 0 GGAARN NC(=O)[C@H]1CCCN(Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)C1 ZINC000005589971 570664223 /nfs/dbraw/zinc/66/42/23/570664223.db2.gz NIYRMBSWSRZDRI-KRWDZBQOSA-N 0 0 393.516 3.225 50 0 GGAARN O=C(Cn1cnc2ccccc2c1=O)Nc1ccsc1-c1nc(C2CC2)no1 ZINC000206666471 570664630 /nfs/dbraw/zinc/66/46/30/570664630.db2.gz KLAFHRBOOXWGAK-UHFFFAOYSA-N 0 0 393.428 3.024 50 0 GGAARN CC(C)(C)c1ccc(C(=O)[C@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)cc1 ZINC000012442782 570664999 /nfs/dbraw/zinc/66/49/99/570664999.db2.gz SJTMUYXQGADBNK-KRWDZBQOSA-N 0 0 397.519 3.452 50 0 GGAARN CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2c(C)nc3ncccn32)C1 ZINC000012444455 570665483 /nfs/dbraw/zinc/66/54/83/570665483.db2.gz COTYECATGANMPZ-OAHLLOKOSA-N 0 0 394.500 3.495 50 0 GGAARN CC(C)CN(C)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1 ZINC000012446447 570666765 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COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)n2)cc1 ZINC000012414375 570668266 /nfs/dbraw/zinc/66/82/66/570668266.db2.gz GTGDBKFCOSSBQU-CQSZACIVSA-N 0 0 393.399 3.037 50 0 GGAARN COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCO3)C1 ZINC000012453056 570668274 /nfs/dbraw/zinc/66/82/74/570668274.db2.gz RDBOHKRWDONLFB-MRXNPFEDSA-N 0 0 381.428 3.202 50 0 GGAARN CSCCCNC(=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012453701 570668686 /nfs/dbraw/zinc/66/86/86/570668686.db2.gz UNERNKHJYKSGSQ-AWEZNQCLSA-N 0 0 388.455 3.313 50 0 GGAARN COc1ccccc1CNC(=O)[C@H]1CCCN(c2cnc3ccccc3n2)C1 ZINC000012414701 570668847 /nfs/dbraw/zinc/66/88/47/570668847.db2.gz QQIFKGVOXZYQMN-KRWDZBQOSA-N 0 0 376.460 3.171 50 0 GGAARN O=C(C1CCCC1)N1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000012459459 570670136 /nfs/dbraw/zinc/67/01/36/570670136.db2.gz JDWSPAXSYQGJJS-OAQYLSRUSA-N 0 0 376.447 3.496 50 0 GGAARN Cc1ccc(C(=O)Nc2ccc(SCC(=O)Nc3nccs3)nn2)cc1 ZINC000013701679 570670144 /nfs/dbraw/zinc/67/01/44/570670144.db2.gz 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570672028 /nfs/dbraw/zinc/67/20/28/570672028.db2.gz PLALYMKPGYGXDH-UHFFFAOYSA-N 0 0 377.448 3.354 50 0 GGAARN CCc1ocnc1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2=O ZINC000012469812 570672083 /nfs/dbraw/zinc/67/20/83/570672083.db2.gz DCRQWAGJNAIVIL-OAQYLSRUSA-N 0 0 385.439 3.031 50 0 GGAARN COc1ccc(-c2noc(CNC(=O)c3cc4cccc(OC)c4o3)n2)cc1 ZINC000013728907 570672963 /nfs/dbraw/zinc/67/29/63/570672963.db2.gz CKTOCNZOWJLKDB-UHFFFAOYSA-N 0 0 379.372 3.430 50 0 GGAARN NC(=O)c1ccccc1NC(=O)c1cnc2c(cccc2C(F)(F)F)c1O ZINC000012421846 570673114 /nfs/dbraw/zinc/67/31/14/570673114.db2.gz TZTQIHONGXPFJK-UHFFFAOYSA-N 0 0 375.306 3.310 50 0 GGAARN COc1ccccc1N1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000053007173 570673450 /nfs/dbraw/zinc/67/34/50/570673450.db2.gz FIQXHXPSMSZTPK-UHFFFAOYSA-N 0 0 393.409 3.475 50 0 GGAARN CCN1c2cc(C(=O)NCc3ccncc3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169766398 570673764 /nfs/dbraw/zinc/67/37/64/570673764.db2.gz BQHOCYXRRYLBTK-FQEVSTJZSA-N 0 0 378.476 3.194 50 0 GGAARN COc1ccc(/C=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)c(OC)c1 ZINC000013752087 570674812 /nfs/dbraw/zinc/67/48/12/570674812.db2.gz AMXCZRXFNUYZOF-SXGWCWSVSA-N 0 0 399.859 3.036 50 0 GGAARN Cc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)C1=CCCC1)C2 ZINC000012510755 570675166 /nfs/dbraw/zinc/67/51/66/570675166.db2.gz ZOJZNIDFIHIELV-UHFFFAOYSA-N 0 0 393.462 3.454 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccccc5F)no4)c3CO2)cc1 ZINC000169769947 570675181 /nfs/dbraw/zinc/67/51/81/570675181.db2.gz YWXCJDVADJUHJQ-KRWDZBQOSA-N 0 0 393.378 3.414 50 0 GGAARN COC(=O)COc1ccc2oc(=O)c(-c3ccc(OC)c(OC)c3)c(C)c2c1 ZINC000004340622 570675980 /nfs/dbraw/zinc/67/59/80/570675980.db2.gz JDYKWKHQQIWIHX-UHFFFAOYSA-N 0 0 384.384 3.337 50 0 biogenic GGAARN C[C@@]12C[C@@H](c3cc(Cl)ccc3O1)[C@@H](S(=O)(=O)c1ccc(F)cc1)C(=O)N2 ZINC000012437930 570676340 /nfs/dbraw/zinc/67/63/40/570676340.db2.gz IUCCHSHHSBXDKF-LESCRADOSA-N 0 0 395.839 3.034 50 0 GGAARN O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)NCc1ccco1 ZINC000004341653 570676515 /nfs/dbraw/zinc/67/65/15/570676515.db2.gz SZSRQPYWBGDGIW-UHFFFAOYSA-N 0 0 399.863 3.470 50 0 GGAARN O=C(CSc1ncnc2c1cnn2-c1cccc(Cl)c1)NCc1ccco1 ZINC000004341703 570676612 /nfs/dbraw/zinc/67/66/12/570676612.db2.gz QRYKGIRJQWRTDJ-UHFFFAOYSA-N 0 0 399.863 3.470 50 0 GGAARN O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)NCc1ccccc1 ZINC000004341554 570676656 /nfs/dbraw/zinc/67/66/56/570676656.db2.gz MQZVCUZSAHPTHB-UHFFFAOYSA-N 0 0 393.447 3.363 50 0 GGAARN CCCC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000012441636 570677173 /nfs/dbraw/zinc/67/71/73/570677173.db2.gz XYFFNJKGLRMYLS-LJQANCHMSA-N 0 0 388.489 3.187 50 0 GGAARN COCCNC(=O)c1ccc(Oc2c(C)oc3cc(OC)ccc3c2=O)cc1 ZINC000012442378 570677477 /nfs/dbraw/zinc/67/74/77/570677477.db2.gz MVBXPJREZXCCTP-UHFFFAOYSA-N 0 0 383.400 3.279 50 0 biogenic GGAARN CCc1nnc(-c2cccc(OCC(=O)Nc3cccc(NC(C)=O)c3)c2)o1 ZINC000012443770 570677924 /nfs/dbraw/zinc/67/79/24/570677924.db2.gz MOJZZZNHNMULJR-UHFFFAOYSA-N 0 0 380.404 3.275 50 0 GGAARN CCCCOc1cccc([C@@H](C)NS(=O)(=O)c2cccc3nonc32)c1 ZINC000032578962 570677962 /nfs/dbraw/zinc/67/79/62/570677962.db2.gz UYMHEBNRYZXDOB-CYBMUJFWSA-N 0 0 375.450 3.441 50 0 GGAARN CCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2nnc(C)o2)cc1 ZINC000012443746 570677972 /nfs/dbraw/zinc/67/79/72/570677972.db2.gz FKIANEKYBXMELV-UHFFFAOYSA-N 0 0 381.388 3.239 50 0 GGAARN Cc1cc(C)c2oc(C(=O)NCCc3nc(-c4ccccc4)no3)cc(=O)c2c1 ZINC000032593734 570679431 /nfs/dbraw/zinc/67/94/31/570679431.db2.gz YVFJBDUFMRPAQD-UHFFFAOYSA-N 0 0 389.411 3.432 50 0 GGAARN COC(=O)[C@@H](NC(=O)c1ccc(C)cc1)c1nnc(Nc2ccccc2)s1 ZINC000032593939 570679446 /nfs/dbraw/zinc/67/94/46/570679446.db2.gz DTVIQKKSFXNUSD-HNNXBMFYSA-N 0 0 382.445 3.234 50 0 GGAARN COc1ccc(OC)c(NC(=O)CN2CCN(c3cccc(C)c3C)CC2)c1 ZINC000055060308 570680519 /nfs/dbraw/zinc/68/05/19/570680519.db2.gz OCHZPCZBQTZKJP-UHFFFAOYSA-N 0 0 383.492 3.081 50 0 GGAARN COc1ccc(OC)c(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055060438 570680677 /nfs/dbraw/zinc/68/06/77/570680677.db2.gz 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ZINC000055090670 570682450 /nfs/dbraw/zinc/68/24/50/570682450.db2.gz NIMHFUVYKMGSKT-OAHLLOKOSA-N 0 0 381.476 3.441 50 0 GGAARN Cc1cnc(C)c(N2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)n1 ZINC000055100481 570683110 /nfs/dbraw/zinc/68/31/10/570683110.db2.gz OVGBUXJHNKKWPY-UHFFFAOYSA-N 0 0 384.871 3.119 50 0 GGAARN CCCn1c(C)c(CC(=O)N[C@@H](C)c2nnc(C)[nH]2)c2c1CC(C)(C)CC2=O ZINC000012578529 570683332 /nfs/dbraw/zinc/68/33/32/570683332.db2.gz KGFYGSUHZYFNDM-LBPRGKRZSA-N 0 0 385.512 3.208 50 0 GGAARN Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000526052345 570683254 /nfs/dbraw/zinc/68/32/54/570683254.db2.gz XZAKCEIQQUZOIK-LJQANCHMSA-N 0 0 378.428 3.498 50 0 GGAARN O=C(Cc1ccc(Cl)cc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000169772244 570683721 /nfs/dbraw/zinc/68/37/21/570683721.db2.gz LPKFFIQWOJECQW-UHFFFAOYSA-N 0 0 384.789 3.040 50 0 GGAARN CC[C@H](C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccccc1 ZINC000169772241 570683806 /nfs/dbraw/zinc/68/38/06/570683806.db2.gz WOOBPAFCOVEGPW-HNNXBMFYSA-N 0 0 378.398 3.338 50 0 GGAARN CC[C@@H](C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccccc1 ZINC000169772239 570683843 /nfs/dbraw/zinc/68/38/43/570683843.db2.gz WOOBPAFCOVEGPW-OAHLLOKOSA-N 0 0 378.398 3.338 50 0 GGAARN CCOc1ccc(N2C[C@H](CNC(=O)c3ccccc3OCC)CC2=O)cc1 ZINC000008925602 570684155 /nfs/dbraw/zinc/68/41/55/570684155.db2.gz OTGKUHNHNZKXFO-INIZCTEOSA-N 0 0 382.460 3.267 50 0 GGAARN COc1ccccc1[C@@H]1CCCN1C(=O)c1cn(Cc2ccccc2F)nn1 ZINC000012582631 570684587 /nfs/dbraw/zinc/68/45/87/570684587.db2.gz RNSLHNYFPYDOJP-IBGZPJMESA-N 0 0 380.423 3.451 50 0 GGAARN Cc1ccccc1C(=O)NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O ZINC000169775661 570684657 /nfs/dbraw/zinc/68/46/57/570684657.db2.gz JSEIRGOWUJRPGM-UHFFFAOYSA-N 0 0 390.418 3.041 50 0 GGAARN CC(C)c1noc(-c2cccn3c(CNC(=O)[C@@H](C)c4ccccc4)nnc23)n1 ZINC000169775925 570684737 /nfs/dbraw/zinc/68/47/37/570684737.db2.gz HMNATFTWVIBDJJ-AWEZNQCLSA-N 0 0 390.447 3.323 50 0 GGAARN CC(C)c1noc(-c2cccn3c(CNC(=O)c4ccc(Cl)cc4)nnc23)n1 ZINC000169775929 570684829 /nfs/dbraw/zinc/68/48/29/570684829.db2.gz YAFJYDAOYOFNPW-UHFFFAOYSA-N 0 0 396.838 3.486 50 0 GGAARN O=C(CCCn1cncn1)N1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000012585805 570684889 /nfs/dbraw/zinc/68/48/89/570684889.db2.gz XQPSNEMDUYYTRE-HNNXBMFYSA-N 0 0 394.397 3.199 50 0 GGAARN CC(C)c1noc(-c2cccn3c(CNC(=O)c4ccccc4Cl)nnc23)n1 ZINC000169776125 570685209 /nfs/dbraw/zinc/68/52/09/570685209.db2.gz QYSCUAFERHJTFM-UHFFFAOYSA-N 0 0 396.838 3.486 50 0 GGAARN CCCc1noc(-c2cccn3c(CNC(=O)CCC4CCCC4)nnc23)n1 ZINC000169776058 570685277 /nfs/dbraw/zinc/68/52/77/570685277.db2.gz CXXQAGIUKUHUOK-UHFFFAOYSA-N 0 0 382.468 3.318 50 0 GGAARN CCOc1ccccc1-c1nc(CN2CCN(c3ncccn3)CC2)c(C)o1 ZINC000055153655 570685309 /nfs/dbraw/zinc/68/53/09/570685309.db2.gz CWVARKNJMZLKQQ-UHFFFAOYSA-N 0 0 379.464 3.161 50 0 GGAARN CCCc1noc(-c2ccn3c(c2)nnc3CNC(=O)c2ccc(C)c(C)c2)n1 ZINC000169776260 570685441 /nfs/dbraw/zinc/68/54/41/570685441.db2.gz HYRVHOUZVCDUJX-UHFFFAOYSA-N 0 0 390.447 3.279 50 0 GGAARN COc1ccc2c(C)c(CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(=O)oc2c1C ZINC000015954396 570685755 /nfs/dbraw/zinc/68/57/55/570685755.db2.gz SVFILLKMUZNIAA-QMHKHESXSA-N 0 0 399.487 3.115 50 0 biogenic GGAARN Cc1c(O)ccc2c(C)c(CCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(=O)oc12 ZINC000016032587 570686286 /nfs/dbraw/zinc/68/62/86/570686286.db2.gz BPXMFZBVPOADGH-MWTRTKDXSA-N 0 0 399.487 3.202 50 0 biogenic GGAARN CCCc1noc(-c2cccn3c(CNC(=O)c4ccc(C)cc4C)nnc23)n1 ZINC000169776329 570686480 /nfs/dbraw/zinc/68/64/80/570686480.db2.gz CVMQTEXHLVCACF-UHFFFAOYSA-N 0 0 390.447 3.279 50 0 GGAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1cc(C)ccc1C)CCCCC3 ZINC000169777279 570686485 /nfs/dbraw/zinc/68/64/85/570686485.db2.gz IVVNCCVDTONVEB-UHFFFAOYSA-N 0 0 378.476 3.488 50 0 GGAARN CC(C)c1noc(-c2cccn3c(CNC(=O)c4cc(F)ccc4F)nnc23)n1 ZINC000169776328 570686560 /nfs/dbraw/zinc/68/65/60/570686560.db2.gz SXNGJRBXNKNCOM-UHFFFAOYSA-N 0 0 398.373 3.111 50 0 GGAARN Cc1ccc(C(=O)N2CC[C@H](n3cc(-c4nc(C(C)C)no4)nn3)C2)cc1C ZINC000169778171 570687301 /nfs/dbraw/zinc/68/73/01/570687301.db2.gz VYTHRRWOXKZPLD-INIZCTEOSA-N 0 0 380.452 3.156 50 0 GGAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1c(C)cccc1C)CCCCC3 ZINC000169778345 570687690 /nfs/dbraw/zinc/68/76/90/570687690.db2.gz RZNOPBKQOKHWOO-UHFFFAOYSA-N 0 0 378.476 3.488 50 0 GGAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)NCc1ccc(Cl)cc1)CCCCC3 ZINC000169778355 570687704 /nfs/dbraw/zinc/68/77/04/570687704.db2.gz GIASQKWDJNDGLW-UHFFFAOYSA-N 0 0 398.894 3.203 50 0 GGAARN CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000012593095 570688305 /nfs/dbraw/zinc/68/83/05/570688305.db2.gz XCJYQUHXNAVFHJ-HNNXBMFYSA-N 0 0 376.888 3.470 50 0 GGAARN CCN1CCN(c2c(Cl)cccc2NC(=O)[C@H]2CC(C(C)C)=NO2)CC1 ZINC000055242472 570688369 /nfs/dbraw/zinc/68/83/69/570688369.db2.gz PUTVJFLEXCHTNU-QGZVFWFLSA-N 0 0 378.904 3.221 50 0 GGAARN CC(C)OCCCNC(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1 ZINC000012596254 570689001 /nfs/dbraw/zinc/68/90/01/570689001.db2.gz AIYLBFPYRDTADV-UHFFFAOYSA-N 0 0 384.480 3.200 50 0 GGAARN Cc1ccsc1C(=O)N1CCC(n2cc(-c3nc(C(C)C)no3)nn2)CC1 ZINC000169777472 570689253 /nfs/dbraw/zinc/68/92/53/570689253.db2.gz HMRXYXXQVYMVGN-UHFFFAOYSA-N 0 0 386.481 3.299 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(-c4noc(-c5ccccc5)n4)c3CO2)cc1 ZINC000169780285 570689582 /nfs/dbraw/zinc/68/95/82/570689582.db2.gz QRCLYCBVZQRFSE-KRWDZBQOSA-N 0 0 375.388 3.275 50 0 GGAARN O=C(c1ccoc1)N1CCC(n2cc(-c3nc(-c4ccccc4)no3)nn2)CC1 ZINC000169777535 570689603 /nfs/dbraw/zinc/68/96/03/570689603.db2.gz HSRHCLYFVKTQJG-UHFFFAOYSA-N 0 0 390.403 3.065 50 0 GGAARN CCc1nccn1CCC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000012446683 570689831 /nfs/dbraw/zinc/68/98/31/570689831.db2.gz HRDYRWQMJFEUAU-QGZVFWFLSA-N 0 0 399.445 3.493 50 0 GGAARN Cc1ccc(C)c(C(=O)NCc2nnc3cc(-c4nc(C5CC5)no4)ccn32)c1 ZINC000169780587 570689962 /nfs/dbraw/zinc/68/99/62/570689962.db2.gz CQIJTYWUWUAEEF-UHFFFAOYSA-N 0 0 388.431 3.204 50 0 GGAARN COc1ccc(NC(=O)c2ccc3c(c2)N(C)[C@@H]2CCCCN2C3=O)cc1F ZINC000169780756 570689973 /nfs/dbraw/zinc/68/99/73/570689973.db2.gz FRXHKWUNIVLCQH-IBGZPJMESA-N 0 0 383.423 3.489 50 0 GGAARN O=C(/C=C/c1ccco1)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000055284797 570690151 /nfs/dbraw/zinc/69/01/51/570690151.db2.gz XEDKDORLAQBCEV-BBVFFXRHSA-N 0 0 383.467 3.245 50 0 GGAARN Cc1ccc(CC(=O)NCc2nnc3c(-c4nc(C(C)C)no4)cccn23)cc1 ZINC000169781009 570690379 /nfs/dbraw/zinc/69/03/79/570690379.db2.gz ICCFQVCCGHHWEK-UHFFFAOYSA-N 0 0 390.447 3.070 50 0 GGAARN Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)n(C)n1 ZINC000012612014 570690550 /nfs/dbraw/zinc/69/05/50/570690550.db2.gz AAYILTBOWPSKBN-QGZVFWFLSA-N 0 0 381.455 3.497 50 0 GGAARN Cc1cnc(CNC(=O)c2coc(COc3ccc(F)cc3Cl)n2)cn1 ZINC000012612848 570690579 /nfs/dbraw/zinc/69/05/79/570690579.db2.gz ASGSIIPZULZAMV-UHFFFAOYSA-N 0 0 376.775 3.075 50 0 GGAARN Cc1ocnc1C(=O)N1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000012612572 570690670 /nfs/dbraw/zinc/69/06/70/570690670.db2.gz LGIVETRGDCSSOD-QFIPXVFZSA-N 0 0 381.476 3.071 50 0 GGAARN Cc1ccc(-n2c(=O)[nH]nc2C2CCN(C(=O)C=Cc3ccccc3)CC2)cc1 ZINC000169779846 570690739 /nfs/dbraw/zinc/69/07/39/570690739.db2.gz RSFQVJMRQOOIII-XFXZXTDPSA-N 0 0 388.471 3.288 50 0 GGAARN Cc1ccc(-n2c(=O)[nH]nc2C2CCN(C(=O)Cc3cccc(C)c3)CC2)cc1 ZINC000169779752 570690940 /nfs/dbraw/zinc/69/09/40/570690940.db2.gz GZLBKIDHRJIQDI-UHFFFAOYSA-N 0 0 390.487 3.126 50 0 GGAARN CCc1nc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c43)C2)sc1C ZINC000169779920 570691115 /nfs/dbraw/zinc/69/11/15/570691115.db2.gz LMIAKDAHLQSGEZ-SNVBAGLBSA-N 0 0 387.440 3.021 50 0 GGAARN O=C(NCCc1ccccc1)C(=O)NCc1ccc(C(=O)c2cccs2)s1 ZINC000206678406 570691901 /nfs/dbraw/zinc/69/19/01/570691901.db2.gz DZIKWUQIVWFXJQ-UHFFFAOYSA-N 0 0 398.509 3.016 50 0 GGAARN O=C(NCc1ccc(C(=O)c2cccs2)s1)C(=O)Nc1ccc(F)cc1 ZINC000206678193 570691924 /nfs/dbraw/zinc/69/19/24/570691924.db2.gz JSDGZQWXEKQZGQ-UHFFFAOYSA-N 0 0 388.445 3.435 50 0 GGAARN CCc1ccc(CNC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCC3)cc1 ZINC000169781395 570692059 /nfs/dbraw/zinc/69/20/59/570692059.db2.gz OKFMOMAYBLJNID-UHFFFAOYSA-N 0 0 389.499 3.467 50 0 GGAARN COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccccc3C)n2)cc1 ZINC000012654863 570695962 /nfs/dbraw/zinc/69/59/62/570695962.db2.gz MLLDTEWKBCICPP-HNNXBMFYSA-N 0 0 381.432 3.480 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)CSc2ccc(-c3ccncc3)nn2)cc1 ZINC000004358079 570697718 /nfs/dbraw/zinc/69/77/18/570697718.db2.gz FEWWYKHHDKZTSA-UHFFFAOYSA-N 0 0 394.456 3.446 50 0 GGAARN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000006906219 570697834 /nfs/dbraw/zinc/69/78/34/570697834.db2.gz MAUORQOFHWSURN-GOSISDBHSA-N 0 0 392.459 3.285 50 0 GGAARN COc1ccc(NC(=O)NCCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1 ZINC000013802171 570698268 /nfs/dbraw/zinc/69/82/68/570698268.db2.gz CVKRFGCQWBXJQF-UHFFFAOYSA-N 0 0 396.422 3.270 50 0 GGAARN Cn1c2nc3oc(-c4ccccc4)cn3c2c(=O)n(C/C=C/c2ccccc2)c1=O ZINC000006909090 570699112 /nfs/dbraw/zinc/69/91/12/570699112.db2.gz YMOIFLCNACLQNS-DHZHZOJOSA-N 0 0 398.422 3.321 50 0 GGAARN Cc1cc(C)n2nc(C(=O)N3CCC[C@H](Nc4ccc(F)c(F)c4)C3)cc2n1 ZINC000012705845 570700062 /nfs/dbraw/zinc/70/00/62/570700062.db2.gz WJDQKPVFSRYBKU-HNNXBMFYSA-N 0 0 385.418 3.341 50 0 GGAARN CC(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)CCC2CCCCC2)cc1 ZINC000013854533 570700885 /nfs/dbraw/zinc/70/08/85/570700885.db2.gz PMLRZHYUAYSKHT-UHFFFAOYSA-N 0 0 387.524 3.488 50 0 GGAARN CSCCC[C@H]1NC(=O)N(c2ccc3c(c2)O[C@H](c2ccncc2)N3)C1=O ZINC000006911450 570702587 /nfs/dbraw/zinc/70/25/87/570702587.db2.gz VXGFERCTVPQXGZ-NVXWUHKLSA-N 0 0 384.461 3.153 50 0 GGAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1NCc1ccc(OC)cc1 ZINC000017297322 570702973 /nfs/dbraw/zinc/70/29/73/570702973.db2.gz VPJPPVIITHWYJI-UHFFFAOYSA-N 0 0 393.443 3.338 50 0 GGAARN Cc1ncsc1CCC(=O)N1CC[C@@]2(C1)CCCN(CC(C)(C)C)C2=O ZINC000012714136 570703760 /nfs/dbraw/zinc/70/37/60/570703760.db2.gz JQSLKBNWPOMVKW-HXUWFJFHSA-N 0 0 377.554 3.271 50 0 GGAARN Cc1ncsc1CCC(=O)N1CC[C@]2(C1)CCCN(CC(C)(C)C)C2=O ZINC000012714131 570703895 /nfs/dbraw/zinc/70/38/95/570703895.db2.gz JQSLKBNWPOMVKW-FQEVSTJZSA-N 0 0 377.554 3.271 50 0 GGAARN CCOc1ccc(CC(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1 ZINC000017307606 570703975 /nfs/dbraw/zinc/70/39/75/570703975.db2.gz ZBXGFJVYMMOZJV-UHFFFAOYSA-N 0 0 377.444 3.280 50 0 GGAARN CCOc1ccc(Nc2nc(NCCO)nc3c2cnn3-c2ccccc2)cc1 ZINC000017308031 570704029 /nfs/dbraw/zinc/70/40/29/570704029.db2.gz AYGIXMZCSZVRNG-UHFFFAOYSA-N 0 0 390.447 3.362 50 0 GGAARN O=C(CSc1nc2ccccc2c(NC[C@@H]2CCCO2)n1)NCc1ccco1 ZINC000006918924 570704057 /nfs/dbraw/zinc/70/40/57/570704057.db2.gz SSEDEGGPQNIFQL-HNNXBMFYSA-N 0 0 398.488 3.222 50 0 GGAARN CSCCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000012716519 570704877 /nfs/dbraw/zinc/70/48/77/570704877.db2.gz ZOOJWBRZZTXJAF-IBGZPJMESA-N 0 0 382.476 3.059 50 0 GGAARN O=C(CCCn1cncn1)N1CCC[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000012717189 570704942 /nfs/dbraw/zinc/70/49/42/570704942.db2.gz FYOKBKCYLMKFBU-OAHLLOKOSA-N 0 0 394.397 3.199 50 0 GGAARN COCCCC1CCN(C(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)CC1 ZINC000012718077 570705228 /nfs/dbraw/zinc/70/52/28/570705228.db2.gz GMCZXFKEDRMGSR-HXUWFJFHSA-N 0 0 378.557 3.471 50 0 GGAARN COC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)cc1 ZINC000012725523 570706595 /nfs/dbraw/zinc/70/65/95/570706595.db2.gz PKUFDQQSAMGBMR-LJQANCHMSA-N 0 0 384.451 3.349 50 0 GGAARN COC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1[C@H](C(=O)OC)CC2 ZINC000000888898 570707197 /nfs/dbraw/zinc/70/71/97/570707197.db2.gz UOOQOHWRPVXDNR-CYBMUJFWSA-N 0 0 387.457 3.309 50 0 GGAARN CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)CCc2cnn(C)c2)CC1 ZINC000012745364 570708031 /nfs/dbraw/zinc/70/80/31/570708031.db2.gz WOKZMOXXXRLIFW-UHFFFAOYSA-N 0 0 397.519 3.157 50 0 GGAARN CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Oc2ccc(C(C)=O)cc2C)n1 ZINC000032623539 570708332 /nfs/dbraw/zinc/70/83/32/570708332.db2.gz LNQFLBNCBXYKHS-UHFFFAOYSA-N 0 0 396.852 3.044 50 0 GGAARN O=C(Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1)c1cccs1 ZINC000006927983 570708754 /nfs/dbraw/zinc/70/87/54/570708754.db2.gz BNKUEOKYGFYAFH-UHFFFAOYSA-N 0 0 383.454 3.296 50 0 GGAARN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccc(C)nc4)C3)C2=O)c1 ZINC000012748478 570709055 /nfs/dbraw/zinc/70/90/55/570709055.db2.gz DOEGKBSRSJXFFS-HSZRJFAPSA-N 0 0 393.487 3.054 50 0 GGAARN CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(C(=O)C2=C(C)OCCO2)C1 ZINC000012750122 570709301 /nfs/dbraw/zinc/70/93/01/570709301.db2.gz GNSDDAZWALPNQL-JOCHJYFZSA-N 0 0 387.476 3.069 50 0 GGAARN CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)Cn4cccn4)C3)C2=O)cc1 ZINC000012751576 570709624 /nfs/dbraw/zinc/70/96/24/570709624.db2.gz YIOSEANJQRTVED-QHCPKHFHSA-N 0 0 394.519 3.048 50 0 GGAARN Cc1noc(C)c1C(=O)N1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000012760747 570710572 /nfs/dbraw/zinc/71/05/72/570710572.db2.gz NAVNRKXIHAZKRI-QHCPKHFHSA-N 0 0 395.503 3.379 50 0 GGAARN CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)s1 ZINC000018840760 570711367 /nfs/dbraw/zinc/71/13/67/570711367.db2.gz GVYVAKHDYDPFLY-SNVBAGLBSA-N 0 0 394.884 3.144 50 0 GGAARN CCCCCn1c(=O)c2c(nc3n2cc(C)n3-c2ccc(C)cc2C)n(C)c1=O ZINC000004370360 570711835 /nfs/dbraw/zinc/71/18/35/570711835.db2.gz ACTYQIZXZTVIIT-UHFFFAOYSA-N 0 0 393.491 3.254 50 0 GGAARN Cc1cc(C)nc(O[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)n1 ZINC000585147339 570712153 /nfs/dbraw/zinc/71/21/53/570712153.db2.gz SILOVKJDYCKNPS-KRWDZBQOSA-N 0 0 395.912 3.120 50 0 GGAARN CCOc1ccc(S(=O)(=O)N2CC[C@H](n3cnc4ccccc43)C2)cc1F ZINC000585149362 570712355 /nfs/dbraw/zinc/71/23/55/570712355.db2.gz YUZYMEHLGBRDLU-AWEZNQCLSA-N 0 0 389.452 3.210 50 0 GGAARN COc1ccc(Br)c(C(=O)NCc2nccnc2-c2cccnc2)c1 ZINC000585150418 570713184 /nfs/dbraw/zinc/71/31/84/570713184.db2.gz LTRYJUJIZPCXRT-UHFFFAOYSA-N 0 0 399.248 3.240 50 0 GGAARN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)n1nc2c(cc1=O)CCC2 ZINC000585150548 570713206 /nfs/dbraw/zinc/71/32/06/570713206.db2.gz PLMIADUKKYQYGE-NSHDSACASA-N 0 0 384.436 3.194 50 0 GGAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1OC(F)F ZINC000001106238 570714676 /nfs/dbraw/zinc/71/46/76/570714676.db2.gz YMWDTIBUZADMDH-UHFFFAOYSA-N 0 0 382.388 3.432 50 0 GGAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2C[C@H](C)C[C@H](C)C2)c2ccccc21 ZINC000017821299 570716135 /nfs/dbraw/zinc/71/61/35/570716135.db2.gz FYNSSXHBAPDNKL-CALCHBBNSA-N 0 0 397.519 3.197 50 0 GGAARN CCn1c(SCC(=O)Nc2ccc3[nH]c(C)nc3c2)nnc1-c1ccncc1 ZINC000017841406 570716698 /nfs/dbraw/zinc/71/66/98/570716698.db2.gz YGVQLKZYKHRDQJ-UHFFFAOYSA-N 0 0 393.476 3.276 50 0 GGAARN O=C(NCc1ccc([C@@H](O)c2ccco2)s1)c1cc2ccccc2oc1=O ZINC000206684675 570717457 /nfs/dbraw/zinc/71/74/57/570717457.db2.gz WFKLZMSIWTUZHM-SFHVURJKSA-N 0 0 381.409 3.459 50 0 GGAARN Cc1cc2cc(CNC(=O)N[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)ccc2[nH]1 ZINC000004373145 570719314 /nfs/dbraw/zinc/71/93/14/570719314.db2.gz KGIFUYKAWQXXKF-GOSISDBHSA-N 0 0 376.460 3.389 50 0 GGAARN COc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(OC)c1 ZINC000004373213 570719319 /nfs/dbraw/zinc/71/93/19/570719319.db2.gz FHOHWLRFGRNJLQ-HNNXBMFYSA-N 0 0 383.448 3.248 50 0 GGAARN COc1ccc(-c2nc3scc(CCNC(=O)c4ccco4)n3n2)cc1OC ZINC000004374709 570720743 /nfs/dbraw/zinc/72/07/43/570720743.db2.gz HAEARCXVCCOSPV-UHFFFAOYSA-N 0 0 398.444 3.041 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000000895401 570722201 /nfs/dbraw/zinc/72/22/01/570722201.db2.gz WFJLRAQQCBHOPQ-UHFFFAOYSA-N 0 0 381.384 3.296 50 0 biogenic GGAARN Cc1ccnc(SCc2cc(=O)c(OC(=O)COc3ccccc3C)co2)n1 ZINC000004377322 570722870 /nfs/dbraw/zinc/72/28/70/570722870.db2.gz LJBGEUGYPLPTMD-UHFFFAOYSA-N 0 0 398.440 3.323 50 0 GGAARN Cc1ccnc(SCc2cc(=O)c(OC(=O)Cc3ccc(F)cc3)co2)n1 ZINC000004377344 570722898 /nfs/dbraw/zinc/72/28/98/570722898.db2.gz GFAPJOORHHNLAA-UHFFFAOYSA-N 0 0 386.404 3.318 50 0 GGAARN CCOc1cccc(C(=O)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)c1 ZINC000012854483 570724658 /nfs/dbraw/zinc/72/46/58/570724658.db2.gz KILIXCGRLPTTPG-UHFFFAOYSA-N 0 0 393.472 3.490 50 0 GGAARN COc1ccc(CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2C)cc1 ZINC000003520206 570725037 /nfs/dbraw/zinc/72/50/37/570725037.db2.gz XYENGAGBVAAUAW-UHFFFAOYSA-N 0 0 386.452 3.038 50 0 GGAARN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000000913322 570725113 /nfs/dbraw/zinc/72/51/13/570725113.db2.gz YGCKDYXHERROEO-GOSISDBHSA-N 0 0 376.453 3.311 50 0 GGAARN COc1ccc(-c2nnc(SCC(=O)N3CCC(C)CC3)o2)cc1OC ZINC000000917151 570725472 /nfs/dbraw/zinc/72/54/72/570725472.db2.gz WPPPAUXCGHBYTH-UHFFFAOYSA-N 0 0 377.466 3.104 50 0 GGAARN CC1(C)NN2C(=NC1=O)SC(NC(=O)c1ccc(F)cc1)=C2c1ccccc1 ZINC000000936604 570727252 /nfs/dbraw/zinc/72/72/52/570727252.db2.gz PEHLWEFHOPMATP-UHFFFAOYSA-N 0 0 396.447 3.110 50 0 GGAARN O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000004392735 570729086 /nfs/dbraw/zinc/72/90/86/570729086.db2.gz DGTQQHPFESGPOL-CYBMUJFWSA-N 0 0 391.876 3.334 50 0 GGAARN CC[C@@H](Sc1nnc(-c2ccncc2)n1CC)C(=O)Nc1nnc(C)s1 ZINC000004736184 570729469 /nfs/dbraw/zinc/72/94/69/570729469.db2.gz DYTXLXYDLCSCFR-GFCCVEGCSA-N 0 0 389.510 3.029 50 0 GGAARN Cc1ccc(C(=O)NCCc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000004868366 570731135 /nfs/dbraw/zinc/73/11/35/570731135.db2.gz XNFORLBUXCVWQA-UHFFFAOYSA-N 0 0 386.517 3.142 50 0 GGAARN COc1cc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3ncnn32)ccc1OC(C)C ZINC000000940448 570731738 /nfs/dbraw/zinc/73/17/38/570731738.db2.gz ZNXYQAMOINIZLC-SFHVURJKSA-N 0 0 386.452 3.314 50 0 GGAARN Cc1cccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(c4ccccc4Cl)NN32)c1 ZINC000000940723 570731778 /nfs/dbraw/zinc/73/17/78/570731778.db2.gz RHCGJVXUUDNWIG-KRWDZBQOSA-N 0 0 379.851 3.085 50 0 GGAARN CCN(CC)C(=O)NC1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000169892173 570737704 /nfs/dbraw/zinc/73/77/04/570737704.db2.gz RMBOTMUUPSWEFM-UHFFFAOYSA-N 0 0 382.302 3.105 50 0 GGAARN O=C(NCc1ccccc1)c1nc(Cn2c3ccccc3nc2C(F)F)no1 ZINC000016578346 570737767 /nfs/dbraw/zinc/73/77/67/570737767.db2.gz NFXYIYFLLSBAJA-UHFFFAOYSA-N 0 0 383.358 3.335 50 0 GGAARN COc1ccc(NC(=O)Cn2nc(-c3ccco3)c3sc(C)nc3c2=O)cc1 ZINC000013010500 570741896 /nfs/dbraw/zinc/74/18/96/570741896.db2.gz CBGBJVISBKVPCE-UHFFFAOYSA-N 0 0 396.428 3.069 50 0 GGAARN COc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)c(C)c1 ZINC000585147833 570742081 /nfs/dbraw/zinc/74/20/81/570742081.db2.gz AVZNNJWJBPXMMA-SFHVURJKSA-N 0 0 387.457 3.276 50 0 GGAARN O=C(NCCC1=CCCCC1)C(=O)NC[C@H](O)c1ccc(-c2ccco2)cc1 ZINC000585148229 570742451 /nfs/dbraw/zinc/74/24/51/570742451.db2.gz SUNSUVRFABGKGT-IBGZPJMESA-N 0 0 382.460 3.103 50 0 GGAARN O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000585148335 570742463 /nfs/dbraw/zinc/74/24/63/570742463.db2.gz ZSSAVEDYQXDXCI-KRWDZBQOSA-N 0 0 386.354 3.013 50 0 GGAARN CCCn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000013030983 570742724 /nfs/dbraw/zinc/74/27/24/570742724.db2.gz BDRLGFKICXGETE-UHFFFAOYSA-N 0 0 383.448 3.402 50 0 GGAARN CN(c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000000983133 570743389 /nfs/dbraw/zinc/74/33/89/570743389.db2.gz ROJMEWZKYWUWCM-UHFFFAOYSA-N 0 0 386.517 3.177 50 0 GGAARN COc1ccc(CNC2=NC(=O)C[C@H](C(=O)Nc3cc(C)cc(C)c3)S2)cc1 ZINC000000987320 570743683 /nfs/dbraw/zinc/74/36/83/570743683.db2.gz ILEYVOBLJLOPAR-GOSISDBHSA-N 0 0 397.500 3.428 50 0 GGAARN COc1ccc(CNC2=NC(=O)C[C@@H](C(=O)Nc3cc(C)cc(C)c3)S2)cc1 ZINC000000987321 570743838 /nfs/dbraw/zinc/74/38/38/570743838.db2.gz ILEYVOBLJLOPAR-SFHVURJKSA-N 0 0 397.500 3.428 50 0 GGAARN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(O)cc3)C2=O)cc1 ZINC000001006076 570744996 /nfs/dbraw/zinc/74/49/96/570744996.db2.gz FDIMMHKYRNBSHA-BOPFTXTBSA-N 0 0 398.440 3.466 50 0 GGAARN Cc1ccc(CN2C(=O)N[C@]3(CCCN(C(=O)c4cccc(C)c4)C3)C2=O)cc1 ZINC000097943873 570745103 /nfs/dbraw/zinc/74/51/03/570745103.db2.gz JXOJQGPIRKVFJG-QHCPKHFHSA-N 0 0 391.471 3.030 50 0 GGAARN CC(C)NC(=O)N(O)[C@@H]1N(Cc2ccc3c(c2)OCO3)C(=S)SC1(C)C ZINC000013115932 570746956 /nfs/dbraw/zinc/74/69/56/570746956.db2.gz IUFTXJCVBHPPLE-AWEZNQCLSA-N 0 0 397.522 3.163 50 0 GGAARN C[C@@H]1CN(C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000013115920 570746996 /nfs/dbraw/zinc/74/69/96/570746996.db2.gz AJKSWRPZYOXMGP-CALCHBBNSA-N 0 0 388.533 3.102 50 0 GGAARN CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1O ZINC000013124561 570747411 /nfs/dbraw/zinc/74/74/11/570747411.db2.gz XBXFKYLICJNQPK-UHFFFAOYSA-N 0 0 398.444 3.130 50 0 GGAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(C)=O)nn32)cc1 ZINC000013127653 570748034 /nfs/dbraw/zinc/74/80/34/570748034.db2.gz SCCOYUYDKOOHDH-SFHVURJKSA-N 0 0 395.850 3.113 50 0 GGAARN c1cc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc2c1OCO2 ZINC000001049922 570748442 /nfs/dbraw/zinc/74/84/42/570748442.db2.gz ZUHGIFBYZKVOIQ-UHFFFAOYSA-N 0 0 382.468 3.325 50 0 GGAARN Cc1ccc2cc(NC(=O)Cn3c4ccccc4nc3-c3nonc3N)ccc2n1 ZINC000001071104 570749062 /nfs/dbraw/zinc/74/90/62/570749062.db2.gz LESZNGMDDFKRPH-UHFFFAOYSA-N 0 0 399.414 3.164 50 0 GGAARN COc1ccc(OC)c(S(=O)(=O)NCCc2c(C)[nH]c3ccc(C)cc32)c1 ZINC000001072110 570749340 /nfs/dbraw/zinc/74/93/40/570749340.db2.gz KAWRFJLJRKBTOQ-UHFFFAOYSA-N 0 0 388.489 3.323 50 0 GGAARN CCOc1nc(NC(=O)NC(=O)c2ccc(F)cc2)nc(-c2ccccc2)n1 ZINC000001075466 570750208 /nfs/dbraw/zinc/75/02/08/570750208.db2.gz OBKOGOXLPSDMCV-UHFFFAOYSA-N 0 0 381.367 3.038 50 0 GGAARN Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)nnn1Cc1ccccc1 ZINC000001075955 570750359 /nfs/dbraw/zinc/75/03/59/570750359.db2.gz DUGIYQFGHXKLOI-UHFFFAOYSA-N 0 0 377.326 3.060 50 0 GGAARN O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC000001083577 570751623 /nfs/dbraw/zinc/75/16/23/570751623.db2.gz ACKHYAGNJYIIKC-PMACEKPBSA-N 0 0 397.496 3.493 50 0 GGAARN COC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000001087570 570751769 /nfs/dbraw/zinc/75/17/69/570751769.db2.gz VDHWKWZHRNMWNC-SFHVURJKSA-N 0 0 394.456 3.402 50 0 GGAARN NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000001088652 570752155 /nfs/dbraw/zinc/75/21/55/570752155.db2.gz HOMIXASFKHLXCC-UHFFFAOYSA-N 0 0 382.441 3.056 50 0 GGAARN O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000206790813 570752500 /nfs/dbraw/zinc/75/25/00/570752500.db2.gz HFKAJPCGQKYFBO-PXUDHTSWSA-N 0 0 397.422 3.269 50 0 GGAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)S(=O)(=O)CC)c1C ZINC000001097283 570752732 /nfs/dbraw/zinc/75/27/32/570752732.db2.gz PLHACRGRGSDTAP-UHFFFAOYSA-N 0 0 378.494 3.160 50 0 GGAARN O=C(CN1CCN(c2ccccc2)CC1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000052537454 570752751 /nfs/dbraw/zinc/75/27/51/570752751.db2.gz CMEDGNJECAQVMR-UHFFFAOYSA-N 0 0 385.336 3.143 50 0 GGAARN Cc1ccn(C[C@@H](C)NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)n1 ZINC000036616535 570752842 /nfs/dbraw/zinc/75/28/42/570752842.db2.gz AZBJKDVIWZTCFM-CYBMUJFWSA-N 0 0 394.504 3.329 50 0 GGAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000013326013 570753055 /nfs/dbraw/zinc/75/30/55/570753055.db2.gz OFMZFWMYBCMWFM-UHFFFAOYSA-N 0 0 388.851 3.138 50 0 GGAARN Cc1ccn(C[C@H](C)NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)n1 ZINC000036616536 570752981 /nfs/dbraw/zinc/75/29/81/570752981.db2.gz AZBJKDVIWZTCFM-ZDUSSCGKSA-N 0 0 394.504 3.329 50 0 GGAARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccccc1Cl ZINC000206800192 570753156 /nfs/dbraw/zinc/75/31/56/570753156.db2.gz KBXZVXQOVIMJQT-WBMJQRKESA-N 0 0 377.799 3.314 50 0 GGAARN COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](OC)c2ccccc2Cl)cc1 ZINC000206854312 570753516 /nfs/dbraw/zinc/75/35/16/570753516.db2.gz BDTUJNXWCQZDQL-INIZCTEOSA-N 0 0 398.868 3.184 50 0 GGAARN COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CSC1CCCC1 ZINC000206801355 570753599 /nfs/dbraw/zinc/75/35/99/570753599.db2.gz RHEBFORGWAYSEF-CJNGLKHVSA-N 0 0 381.469 3.023 50 0 GGAARN CC(C)c1cc(=O)n(CC(=O)Nc2ccccc2-c2cn3ccccc3n2)cn1 ZINC000206899280 570754948 /nfs/dbraw/zinc/75/49/48/570754948.db2.gz MEJOWROGCXYITN-UHFFFAOYSA-N 0 0 387.443 3.320 50 0 GGAARN CN(C)c1cccc(C(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)c1 ZINC000206842185 570755418 /nfs/dbraw/zinc/75/54/18/570755418.db2.gz KQSBWLUHVRANOO-SFHVURJKSA-N 0 0 378.432 3.041 50 0 GGAARN O=C(NCCc1ccccc1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000206845108 570755984 /nfs/dbraw/zinc/75/59/84/570755984.db2.gz HHYYEGDLLZDABL-GOSISDBHSA-N 0 0 378.432 3.087 50 0 GGAARN COC(=O)Cc1ccc(NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000013518924 570756443 /nfs/dbraw/zinc/75/64/43/570756443.db2.gz VDQABAZBVOQMHF-UHFFFAOYSA-N 0 0 385.489 3.048 50 0 GGAARN O=S(=O)(c1ccc(-c2cccc(Cl)c2)cc1)N1CC[C@@H](n2ccnn2)C1 ZINC000206936064 570756946 /nfs/dbraw/zinc/75/69/46/570756946.db2.gz QOGPNRXARZIBKG-QGZVFWFLSA-N 0 0 388.880 3.234 50 0 GGAARN Cn1c(CCN2CCOCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000013541211 570757040 /nfs/dbraw/zinc/75/70/40/570757040.db2.gz CSDIMURYBWRQIN-UHFFFAOYSA-N 0 0 398.894 3.354 50 0 GGAARN CCCC1=Nc2nc(C)nn2[C@H](c2cccc(OC)c2OC)C1C(=O)OCC ZINC000013569380 570758777 /nfs/dbraw/zinc/75/87/77/570758777.db2.gz UVZRPIKTSUWEJI-QGZVFWFLSA-N 0 0 386.452 3.236 50 0 GGAARN COc1cc(NC(=O)CCc2c(C)c3ccc(O)cc3oc2=O)cc(OC)c1 ZINC000013571266 570759378 /nfs/dbraw/zinc/75/93/78/570759378.db2.gz NOFZOTAWOPGOPI-UHFFFAOYSA-N 0 0 383.400 3.396 50 0 GGAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 ZINC000004425519 570759646 /nfs/dbraw/zinc/75/96/46/570759646.db2.gz WBDSYCWZDKSKAX-SFHVURJKSA-N 0 0 396.468 3.262 50 0 GGAARN CCN(CCn1cccn1)C(=O)c1cc(COc2ccc(F)cc2Cl)on1 ZINC000013593756 570761143 /nfs/dbraw/zinc/76/11/43/570761143.db2.gz IIWCKKCVLUJNIO-UHFFFAOYSA-N 0 0 392.818 3.405 50 0 GGAARN CN(Cc1nc(C(c2ccccc2)c2ccccc2)no1)C[C@@H]1COCCO1 ZINC000013595215 570761578 /nfs/dbraw/zinc/76/15/78/570761578.db2.gz NJPYPBRTHCCIND-LJQANCHMSA-N 0 0 379.460 3.097 50 0 GGAARN O=C(CCc1cnccn1)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000013594720 570761603 /nfs/dbraw/zinc/76/16/03/570761603.db2.gz QZCHLQWUJMTREY-KRWDZBQOSA-N 0 0 383.402 3.067 50 0 GGAARN CCn1cc(CNC(=O)c2cc(COc3ccc(F)cc3Cl)on2)cn1 ZINC000013595140 570761648 /nfs/dbraw/zinc/76/16/48/570761648.db2.gz GMKWAECOPLCWIU-UHFFFAOYSA-N 0 0 378.791 3.193 50 0 GGAARN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019170706 570761936 /nfs/dbraw/zinc/76/19/36/570761936.db2.gz RKFXOXGMNIRSCG-UFYCRDLUSA-N 0 0 395.890 3.492 50 0 GGAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2nnc(C3CC3)s2)n1C ZINC000007871113 570762296 /nfs/dbraw/zinc/76/22/96/570762296.db2.gz FPSMDAYAAZBOFF-UHFFFAOYSA-N 0 0 386.506 3.250 50 0 GGAARN CC(C)COc1ccccc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000013615629 570762954 /nfs/dbraw/zinc/76/29/54/570762954.db2.gz CEMRPEKJETUCKJ-UHFFFAOYSA-N 0 0 382.460 3.446 50 0 GGAARN COc1ccccc1-c1nc2n(n1)[C@H](c1ccccc1Cl)C(C(N)=O)=C(C)N2 ZINC000013132088 570763174 /nfs/dbraw/zinc/76/31/74/570763174.db2.gz JZACWQQHADPNHC-QGZVFWFLSA-N 0 0 395.850 3.381 50 0 GGAARN COc1ccccc1-c1nc2n(n1)[C@@H](c1ccccc1Cl)C(C(N)=O)=C(C)N2 ZINC000013132090 570763271 /nfs/dbraw/zinc/76/32/71/570763271.db2.gz JZACWQQHADPNHC-KRWDZBQOSA-N 0 0 395.850 3.381 50 0 GGAARN COc1cc(NC(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)cc(OC)c1 ZINC000206975051 570763304 /nfs/dbraw/zinc/76/33/04/570763304.db2.gz OBCGDUPZBGIOFU-UHFFFAOYSA-N 0 0 388.420 3.041 50 0 GGAARN COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)Nc1ccccc1C)CC2 ZINC000013624831 570763423 /nfs/dbraw/zinc/76/34/23/570763423.db2.gz XRYXUECGFRPSTL-UHFFFAOYSA-N 0 0 397.475 3.109 50 0 GGAARN COc1ccccc1[C@@H]1C(C(N)=O)=C(C)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000013131225 570763366 /nfs/dbraw/zinc/76/33/66/570763366.db2.gz FCTIPGFWZUCCSD-QGZVFWFLSA-N 0 0 395.850 3.381 50 0 GGAARN CC(=O)NCCn1cnc(-c2ccccc2)c1-c1cc2ccccc2n(C)c1=O ZINC000065393373 570764428 /nfs/dbraw/zinc/76/44/28/570764428.db2.gz FVSGCHHOAMWFLJ-UHFFFAOYSA-N 0 0 386.455 3.205 50 0 GGAARN CCOC(=O)c1n[nH]cc1CN1CCC[C@H](C(=O)c2ccc(SC)cc2)C1 ZINC000013636699 570765129 /nfs/dbraw/zinc/76/51/29/570765129.db2.gz CFWKOCHZNIPDFP-HNNXBMFYSA-N 0 0 387.505 3.403 50 0 GGAARN COc1cc2c(cc1OC)[C@@H](NC(=O)CC1(n3cccc3)CCOCC1)CC2 ZINC000524730905 570765233 /nfs/dbraw/zinc/76/52/33/570765233.db2.gz BJWQAANKJUEYDV-SFHVURJKSA-N 0 0 384.476 3.205 50 0 biogenic GGAARN CCCOc1ccc(CCC(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1 ZINC000206981051 570765373 /nfs/dbraw/zinc/76/53/73/570765373.db2.gz PKNLOYIAEBJLKL-UHFFFAOYSA-N 0 0 390.505 3.094 50 0 GGAARN COc1ccc(Cn2ccc3c(cnc4nc(-c5ccccc5)nn43)c2=O)cc1 ZINC000013638769 570765577 /nfs/dbraw/zinc/76/55/77/570765577.db2.gz PQNHLJHTXKBEJW-UHFFFAOYSA-N 0 0 383.411 3.163 50 0 GGAARN Cc1cc(C(=O)Nc2nncs2)c2c(n1)onc2-c1ccc2c(c1)OCO2 ZINC000013641170 570765602 /nfs/dbraw/zinc/76/56/02/570765602.db2.gz WHBLEJANCXWFPT-UHFFFAOYSA-N 0 0 381.373 3.031 50 0 GGAARN COC(=O)c1cc(-c2c(C)nn(C)c2C)nc2cc(-c3ccc(F)cc3)nn21 ZINC000013642423 570765911 /nfs/dbraw/zinc/76/59/11/570765911.db2.gz MBTGAIKHDPAEJU-UHFFFAOYSA-N 0 0 379.395 3.339 50 0 GGAARN CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000524731529 570766590 /nfs/dbraw/zinc/76/65/90/570766590.db2.gz AUGVUGZRELKUJO-PMACEKPBSA-N 0 0 393.512 3.229 50 0 biogenic GGAARN CCCCCCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000524732030 570766928 /nfs/dbraw/zinc/76/69/28/570766928.db2.gz UQJGZQRRKDZHIV-OAQYLSRUSA-N 0 0 391.471 3.498 50 0 biogenic GGAARN CCOc1ccc(/C=C(/NC(=O)c2ccc(OC)cc2)C(=O)NC)cc1OCC ZINC000013648135 570766978 /nfs/dbraw/zinc/76/69/78/570766978.db2.gz YVIBIPPAKXULHM-QGOAFFKASA-N 0 0 398.459 3.010 50 0 GGAARN C[C@@H]1CN(C(=O)COc2ccc3c(c2)occ(-c2ccccc2)c3=O)C[C@H](C)O1 ZINC000013654439 570767205 /nfs/dbraw/zinc/76/72/05/570767205.db2.gz HYPYXCDOMVKBMZ-IYBDPMFKSA-N 0 0 393.439 3.475 50 0 biogenic GGAARN O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2ccccc2O)N1Cc1ccccc1 ZINC000013653941 570767290 /nfs/dbraw/zinc/76/72/90/570767290.db2.gz QECZTSYPSHTOHH-UGKGYDQZSA-N 0 0 395.480 3.241 50 0 GGAARN Cc1cc(=O)c(OCC(=O)N[C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)cn1C ZINC000524732811 570767624 /nfs/dbraw/zinc/76/76/24/570767624.db2.gz PNSFUWWGSMUQMM-QGZVFWFLSA-N 0 0 399.878 3.401 50 0 GGAARN COc1ccc(NC(=O)CC2(n3cccc3)CCOCC2)cc1-c1nnc(C)o1 ZINC000524732763 570767641 /nfs/dbraw/zinc/76/76/41/570767641.db2.gz ZUGAALROBOPSTD-UHFFFAOYSA-N 0 0 396.447 3.390 50 0 GGAARN Cc1cc(=O)c(OCC(=O)N[C@@H]2CCCc3c4cccc(Cl)c4[nH]c32)cn1C ZINC000524732872 570768171 /nfs/dbraw/zinc/76/81/71/570768171.db2.gz VYTZGUNVOMZBQP-MRXNPFEDSA-N 0 0 399.878 3.401 50 0 GGAARN CCn1c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccco1 ZINC000008392008 570768679 /nfs/dbraw/zinc/76/86/79/570768679.db2.gz IWNAFCUECNQEIT-NSHDSACASA-N 0 0 386.433 3.406 50 0 GGAARN O=C(N[C@@H]1CCCc2c3ccccc3[nH]c21)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000524732640 570769921 /nfs/dbraw/zinc/76/99/21/570769921.db2.gz GFJMVKFLYWWRCH-IFXJQAMLSA-N 0 0 377.444 3.303 50 0 GGAARN CSCC[C@H](C(=O)Nc1cccc(C(=O)c2nccn2C)c1)n1cccc1 ZINC000524734609 570771909 /nfs/dbraw/zinc/77/19/09/570771909.db2.gz VAVYOZJQMCFVFJ-QGZVFWFLSA-N 0 0 382.489 3.386 50 0 GGAARN O=S(=O)(c1ccccc1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000207017921 570772014 /nfs/dbraw/zinc/77/20/14/570772014.db2.gz AOVACMVRYBKVGY-AWEZNQCLSA-N 0 0 389.502 3.442 50 0 GGAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCSc1ccccc1 ZINC000524734697 570772002 /nfs/dbraw/zinc/77/20/02/570772002.db2.gz DYMYHCAIWVPOFA-CDXJDZJCSA-N 0 0 382.485 3.005 50 0 GGAARN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)[C@@H](CC(C)C)n1cccc1 ZINC000524735002 570772384 /nfs/dbraw/zinc/77/23/84/570772384.db2.gz YJYVODOBTZMCGE-LJQANCHMSA-N 0 0 399.491 3.195 50 0 GGAARN COc1ccc2c(cc(C(=O)NCCCC(=O)Nc3ncc(C)s3)n2C)c1 ZINC000013684411 570773828 /nfs/dbraw/zinc/77/38/28/570773828.db2.gz YPGKVSGVUSXWKM-UHFFFAOYSA-N 0 0 386.477 3.101 50 0 GGAARN CC(C)n1cc(C(=O)N[C@@H](C)c2nnc3ccccn32)c2ccccc2c1=O ZINC000334161577 570774158 /nfs/dbraw/zinc/77/41/58/570774158.db2.gz DLQRTPDKVOXPKW-AWEZNQCLSA-N 0 0 375.432 3.116 50 0 GGAARN Cc1cc(=O)c(OCC(=O)N[C@H]2CCCc3c4cccc(Cl)c4[nH]c32)c[nH]1 ZINC000524735669 570774517 /nfs/dbraw/zinc/77/45/17/570774517.db2.gz QOXKHSPYKNHPQW-HNNXBMFYSA-N 0 0 385.851 3.391 50 0 GGAARN O=C(/C=C/c1ccccc1)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000013688290 570774785 /nfs/dbraw/zinc/77/47/85/570774785.db2.gz QVOGLAQDUZHGJX-ZRDIBKRKSA-N 0 0 387.483 3.485 50 0 GGAARN CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)c1ccccc1 ZINC000009306310 570775329 /nfs/dbraw/zinc/77/53/29/570775329.db2.gz CSVZFKWHQVEZRX-UHFFFAOYSA-N 0 0 380.473 3.454 50 0 GGAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccccc2)cc1Cl ZINC000100820805 570775413 /nfs/dbraw/zinc/77/54/13/570775413.db2.gz XRZRKMZHEIFWSF-OTWHNJEPSA-N 0 0 381.863 3.184 50 0 GGAARN COc1ccc(Cc2nnc3sc(-c4cc(CC(C)C)[nH]n4)nn23)cc1OC ZINC000013690820 570775564 /nfs/dbraw/zinc/77/55/64/570775564.db2.gz SDLUKHIEMVXMJW-UHFFFAOYSA-N 0 0 398.492 3.382 50 0 GGAARN COc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000013690865 570775650 /nfs/dbraw/zinc/77/56/50/570775650.db2.gz AZOFHTMEBPDCAV-UHFFFAOYSA-N 0 0 391.427 3.038 50 0 GGAARN O=C(NCCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000013691716 570775948 /nfs/dbraw/zinc/77/59/48/570775948.db2.gz PILSFQOCGSVRRV-HXUWFJFHSA-N 0 0 375.472 3.379 50 0 GGAARN CC(C)n1nnc2c(sc3nc(N4CCCC4)c4c(c32)CC(C)(C)OC4)c1=O ZINC000013691724 570775975 /nfs/dbraw/zinc/77/59/75/570775975.db2.gz JUAUJKGUOBQKIO-UHFFFAOYSA-N 0 0 399.520 3.434 50 0 GGAARN Cc1cc(C)c(N2C(=O)[C@@H]3[C@@H](C2=O)N2CCCN2[C@@H]3c2ccc(F)cc2)c(C)c1 ZINC000100838121 570776248 /nfs/dbraw/zinc/77/62/48/570776248.db2.gz IVHDMMPLWBVQMX-TYPHKJRUSA-N 0 0 393.462 3.287 50 0 GGAARN COC(=O)c1ccc(NC(=S)N(C)Cc2cc(=O)[nH]c3ccccc23)cc1 ZINC000013692944 570776198 /nfs/dbraw/zinc/77/61/98/570776198.db2.gz SMPYBBCAACGWCS-UHFFFAOYSA-N 0 0 381.457 3.144 50 0 GGAARN COC(=O)[C@H](CC(=O)c1ccc(F)cc1)c1cc(=O)oc2cc(OC)ccc21 ZINC000013693107 570776366 /nfs/dbraw/zinc/77/63/66/570776366.db2.gz JLXFYEWTJDZANP-QGZVFWFLSA-N 0 0 384.359 3.470 50 0 GGAARN O=C(c1cccnc1)N1CCc2ccc(NS(=O)(=O)c3ccccc3)cc21 ZINC000013697120 570776931 /nfs/dbraw/zinc/77/69/31/570776931.db2.gz PGOFMLFCKRBHCV-UHFFFAOYSA-N 0 0 379.441 3.085 50 0 GGAARN CCOc1ccc(S(=O)(=O)NCCCc2ccc(N(C)C)cc2)cc1C ZINC000023002822 570777195 /nfs/dbraw/zinc/77/71/95/570777195.db2.gz YDJQXORHYPBVHI-UHFFFAOYSA-N 0 0 376.522 3.371 50 0 GGAARN O=C1CCC(=O)N1c1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccccc1)=N2 ZINC000100907639 570779448 /nfs/dbraw/zinc/77/94/48/570779448.db2.gz JIZQMTVKFHBYON-QGZVFWFLSA-N 0 0 389.390 3.127 50 0 GGAARN CCn1c2c(cc(F)cc2F)s/c1=N\C(=O)[C@H]1COc2ccccc2O1 ZINC000100909496 570779489 /nfs/dbraw/zinc/77/94/89/570779489.db2.gz IOQRAYHEGGLSNP-WVCJAJDESA-N 0 0 376.384 3.268 50 0 GGAARN COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccc(OC)c(OC)c1)n2C ZINC000100908797 570779530 /nfs/dbraw/zinc/77/95/30/570779530.db2.gz GKLDPQFLXRVOKB-VXPUYCOJSA-N 0 0 388.445 3.015 50 0 GGAARN CCn1c2c(s/c1=N\C(=O)[C@H]1COc3ccccc3O1)c(C)ccc2OC ZINC000100909128 570779592 /nfs/dbraw/zinc/77/95/92/570779592.db2.gz SVMANXRCEQIMLV-MODMUFLJSA-N 0 0 384.457 3.307 50 0 GGAARN O=C(Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000013718943 570779635 /nfs/dbraw/zinc/77/96/35/570779635.db2.gz WDKFXZRWRWBQEX-KRWDZBQOSA-N 0 0 399.447 3.301 50 0 GGAARN CCN1CCn2c(nc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc32)C1 ZINC000013720847 570779913 /nfs/dbraw/zinc/77/99/13/570779913.db2.gz QUWZWDQRVLXZQN-UHFFFAOYSA-N 0 0 380.448 3.141 50 0 GGAARN O=C(CCN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1ccc2nccnc2c1 ZINC000013719892 570780120 /nfs/dbraw/zinc/78/01/20/570780120.db2.gz UNBAGQDHKVBMRT-LFIBNONCSA-N 0 0 394.412 3.288 50 0 GGAARN Cc1cc(=O)oc2cc(OCC(=O)N=c3[nH]c4ccccc4[nH]3)c(Cl)cc12 ZINC000013721114 570780616 /nfs/dbraw/zinc/78/06/16/570780616.db2.gz KZQMIKWCIOYDKC-UHFFFAOYSA-N 0 0 383.791 3.071 50 0 GGAARN CCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1CCOC ZINC000013723689 570780913 /nfs/dbraw/zinc/78/09/13/570780913.db2.gz UEVJZSXZLQPZTC-UHFFFAOYSA-N 0 0 378.494 3.241 50 0 GGAARN O=C1C2C(c3ncc(C(F)(F)F)cc3Cl)=NO[C@H]2C(=O)N1c1ccccc1 ZINC000100918476 570780995 /nfs/dbraw/zinc/78/09/95/570780995.db2.gz HFRMRSDLOYOVHX-BXUZGUMPSA-N 0 0 395.724 3.046 50 0 GGAARN O=C1C2C(c3ncc(C(F)(F)F)cc3Cl)=NO[C@H]2C(=O)N1c1ccccc1 ZINC000100918475 570781073 /nfs/dbraw/zinc/78/10/73/570781073.db2.gz HFRMRSDLOYOVHX-SMDDNHRTSA-N 0 0 395.724 3.046 50 0 GGAARN CC(=O)Nc1nc2ccc(C(=O)Nc3ccc(Cn4cncn4)cc3)cc2s1 ZINC000013727256 570782267 /nfs/dbraw/zinc/78/22/67/570782267.db2.gz WQAKIAUHJUAYAH-UHFFFAOYSA-N 0 0 392.444 3.147 50 0 GGAARN S=C(Nc1cccc2nonc21)N1CCN(c2nsc3ccccc32)CC1 ZINC000013729214 570782849 /nfs/dbraw/zinc/78/28/49/570782849.db2.gz RZYMIPZATRPQRX-UHFFFAOYSA-N 0 0 396.501 3.352 50 0 GGAARN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)NC2CCCCC2)C1=O ZINC000013732761 570783082 /nfs/dbraw/zinc/78/30/82/570783082.db2.gz WFURVQBXLSCGBR-NRFANRHFSA-N 0 0 390.487 3.458 50 0 GGAARN CCn1cc(C(=O)Nc2ccc(OC)cc2OC)c(=O)c2cc3c(cc21)OCO3 ZINC000013732509 570783107 /nfs/dbraw/zinc/78/31/07/570783107.db2.gz JSENJQAQMRZUFP-UHFFFAOYSA-N 0 0 396.399 3.020 50 0 GGAARN CNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000013731577 570783258 /nfs/dbraw/zinc/78/32/58/570783258.db2.gz CCBRETMVRCPMMJ-UHFFFAOYSA-N 0 0 390.392 3.126 50 0 GGAARN CCn1cc(C(=O)Nc2ccc3[nH]ccc3c2)c(=O)c2cc3c(cc21)OCO3 ZINC000013730761 570783275 /nfs/dbraw/zinc/78/32/75/570783275.db2.gz AZJCJKILPJYPBY-UHFFFAOYSA-N 0 0 375.384 3.484 50 0 GGAARN Cc1cc(C(=O)Nc2cc(-c3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)c(C)o1 ZINC000013731514 570783291 /nfs/dbraw/zinc/78/32/91/570783291.db2.gz CGAPHUAJKWFPPZ-MRXNPFEDSA-N 0 0 399.472 3.372 50 0 GGAARN O=C(Nc1ccc(Cl)cc1)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 ZINC000013732447 570783365 /nfs/dbraw/zinc/78/33/65/570783365.db2.gz ARPXGNZQIPBNBO-AWEZNQCLSA-N 0 0 393.896 3.027 50 0 GGAARN COc1ccc(CN2CCn3c(nc4cc(NC(C)=O)ccc43)C2)cc1OC ZINC000013733489 570783796 /nfs/dbraw/zinc/78/37/96/570783796.db2.gz YRKSHFFNAQQSQA-UHFFFAOYSA-N 0 0 380.448 3.028 50 0 GGAARN O=C(C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc(F)cc1 ZINC000013734278 570783822 /nfs/dbraw/zinc/78/38/22/570783822.db2.gz QYJGASISVRQMCD-AWEZNQCLSA-N 0 0 385.786 3.260 50 0 GGAARN c1coc(-c2nc3c4c5c(sc4nc(N4CCOCC4)n3n2)CCCC5)c1 ZINC000013736240 570783995 /nfs/dbraw/zinc/78/39/95/570783995.db2.gz SWOAOYQHWAZSGZ-UHFFFAOYSA-N 0 0 381.461 3.314 50 0 GGAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@H]1CCCO1)OC(C)(C)CC3 ZINC000013735815 570784202 /nfs/dbraw/zinc/78/42/02/570784202.db2.gz CSBWKXQRGYUGNX-MRXNPFEDSA-N 0 0 399.487 3.433 50 0 GGAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@@H](c3ccco3)CC2)cc1 ZINC000219457159 570784547 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COc1c2c(cc(C[C@@H](C)NC(=O)c3ccccc3Cl)c1OC)OCO2 ZINC000015085860 570879821 /nfs/dbraw/zinc/87/98/21/570879821.db2.gz USEBXZJVHIAIAO-LLVKDONJSA-N 0 0 377.824 3.447 50 0 GGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cn(C)c(=O)c2ccccc12)CC3 ZINC000170625185 570882098 /nfs/dbraw/zinc/88/20/98/570882098.db2.gz SASXZWSCGYMRGA-UHFFFAOYSA-N 0 0 387.439 3.227 50 0 GGAARN Cc1ccc(C(=O)NCCn2ccc3c2cccc3Cl)cc1-n1cnnn1 ZINC000170625260 570882111 /nfs/dbraw/zinc/88/21/11/570882111.db2.gz HTPIFPKUAPPUQS-UHFFFAOYSA-N 0 0 380.839 3.009 50 0 GGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1ccc2c(c1)OCCCO2)CC3 ZINC000170625248 570882166 /nfs/dbraw/zinc/88/21/66/570882166.db2.gz CCLLSDAUPMTWLF-UHFFFAOYSA-N 0 0 392.455 3.465 50 0 biogenic GGAARN O=C1[C@H]2[C@H](c3ccc(Cl)cc3)N3CCCN3[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000019167102 570888205 /nfs/dbraw/zinc/88/82/05/570888205.db2.gz KRGNVBXYIFFBCK-BZSNNMDCSA-N 0 0 385.826 3.015 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(C)cc1 ZINC000016606706 570888908 /nfs/dbraw/zinc/88/89/08/570888908.db2.gz VAFZLPVGQXAQKS-UHFFFAOYSA-N 0 0 388.489 3.431 50 0 GGAARN COc1ccc(C(=O)CSc2nnc(NC(=O)c3cc(C)on3)s2)cc1 ZINC000042379209 570890232 /nfs/dbraw/zinc/89/02/32/570890232.db2.gz QVLXZCPHWHJRHR-UHFFFAOYSA-N 0 0 390.446 3.070 50 0 GGAARN Cc1ccc(C)c(NC(=O)Cn2ccn(-c3cccc4ccccc43)c(=O)c2=O)c1 ZINC000004570061 570892032 /nfs/dbraw/zinc/89/20/32/570892032.db2.gz LERJHEXRDQNMFP-UHFFFAOYSA-N 0 0 399.450 3.408 50 0 GGAARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1cccc(C(F)(F)F)c1 ZINC000010216430 570892261 /nfs/dbraw/zinc/89/22/61/570892261.db2.gz OCFJKNKZVQTKJN-UHFFFAOYSA-N 0 0 395.406 3.252 50 0 GGAARN Cc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1N1CCCC1=O ZINC000010220976 570892353 /nfs/dbraw/zinc/89/23/53/570892353.db2.gz PONYBFWPSOCKOA-UHFFFAOYSA-N 0 0 385.851 3.030 50 0 GGAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc(Cl)cc2)cc1 ZINC000004569332 570893323 /nfs/dbraw/zinc/89/33/23/570893323.db2.gz AJTBXDQDAXHQBZ-KRWDZBQOSA-N 0 0 392.908 3.232 50 0 GGAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc(C)c(C)c2)cc1 ZINC000004569310 570893483 /nfs/dbraw/zinc/89/34/83/570893483.db2.gz ATMXGIKPSKTIKB-LJQANCHMSA-N 0 0 386.517 3.195 50 0 GGAARN C/C(Cl)=C/Cn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000010386075 570893770 /nfs/dbraw/zinc/89/37/70/570893770.db2.gz DJVURXZNNISNKQ-WQLSENKSSA-N 0 0 390.896 3.167 50 0 GGAARN O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1ccc2nsnc2c1 ZINC000013324576 570894977 /nfs/dbraw/zinc/89/49/77/570894977.db2.gz VZYMJHKIQZNSMD-UHFFFAOYSA-N 0 0 387.896 3.105 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)NC4CCCCCCC4)c3CO2)cc1 ZINC000097112962 570895998 /nfs/dbraw/zinc/89/59/98/570895998.db2.gz HAQKZPTWAXOYIC-IBGZPJMESA-N 0 0 384.480 3.401 50 0 GGAARN CN1c2cc(C(=O)NCCCc3ccccc3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097112411 570896939 /nfs/dbraw/zinc/89/69/39/570896939.db2.gz SADMDIYCJDVANR-NRFANRHFSA-N 0 0 377.488 3.451 50 0 GGAARN CC1(C)Cc2cccc(OCCCS(=O)(=O)NCc3ccc(F)cc3)c2O1 ZINC000013521357 570897912 /nfs/dbraw/zinc/89/79/12/570897912.db2.gz NICIPBMXEBFUFE-UHFFFAOYSA-N 0 0 393.480 3.428 50 0 GGAARN COc1ccc(NC(=O)c2ccc3c(c2)N(C)[C@H]2CCCCN2C3=O)c(OC)c1 ZINC000097125841 570898058 /nfs/dbraw/zinc/89/80/58/570898058.db2.gz MVWWXTMREGJJQB-HXUWFJFHSA-N 0 0 395.459 3.358 50 0 GGAARN CC(C)CCC[C@H](C)NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@@H]13)O2 ZINC000013624302 570899332 /nfs/dbraw/zinc/89/93/32/570899332.db2.gz VSCTURCAZQLJPI-RAYDZDOYSA-N 0 0 382.504 3.304 50 0 GGAARN CC(C)CCC[C@H](C)NC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@@H]13)O2 ZINC000013624306 570899411 /nfs/dbraw/zinc/89/94/11/570899411.db2.gz VSCTURCAZQLJPI-QCEWRBEDSA-N 0 0 382.504 3.304 50 0 GGAARN CCOc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccnn3C)sc2c1 ZINC000013655761 570899624 /nfs/dbraw/zinc/89/96/24/570899624.db2.gz FQUVCXSHGJIUPN-AWEZNQCLSA-N 0 0 386.477 3.254 50 0 GGAARN COc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)c3ccnn3C)nc21 ZINC000013655800 570899675 /nfs/dbraw/zinc/89/96/75/570899675.db2.gz ZOQCASKITDOQMW-ZDUSSCGKSA-N 0 0 386.477 3.173 50 0 GGAARN CCN1c2cc(C(=O)NCCc3ccccc3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097151656 570899832 /nfs/dbraw/zinc/89/98/32/570899832.db2.gz LIESEHYRRHOAKH-OAQYLSRUSA-N 0 0 377.488 3.451 50 0 GGAARN O=C(c1ccccc1Cl)N1CCC[C@]2(C1)NC(=O)N(Cc1ccccc1)C2=O ZINC000097151803 570900152 /nfs/dbraw/zinc/90/01/52/570900152.db2.gz WKAZALAHDOFAGZ-OAQYLSRUSA-N 0 0 397.862 3.067 50 0 GGAARN Cc1cc(C)cc(C(=O)N2CCC[C@@]3(C2)NC(=O)N(Cc2ccccc2)C3=O)c1 ZINC000097151743 570900227 /nfs/dbraw/zinc/90/02/27/570900227.db2.gz PQVPGUCMBNMICK-QHCPKHFHSA-N 0 0 391.471 3.030 50 0 GGAARN O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)Nc1cccs1 ZINC000013705808 570900526 /nfs/dbraw/zinc/90/05/26/570900526.db2.gz VFGBFDDDQGIEPY-UHFFFAOYSA-N 0 0 380.433 3.053 50 0 GGAARN CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000013790232 570901377 /nfs/dbraw/zinc/90/13/77/570901377.db2.gz LYJYQAGGQGCXAW-OAHLLOKOSA-N 0 0 399.472 3.105 50 0 GGAARN O=C(NCCCn1nc(-c2ccccc2)ccc1=O)Nc1ccc(F)cc1F ZINC000013800363 570901381 /nfs/dbraw/zinc/90/13/81/570901381.db2.gz QMZITIJZOIACDA-UHFFFAOYSA-N 0 0 384.386 3.400 50 0 GGAARN COc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4F)CC3)[nH]n2)cc1 ZINC000015679241 570901492 /nfs/dbraw/zinc/90/14/92/570901492.db2.gz FPUMVXYENLRFHH-UHFFFAOYSA-N 0 0 380.423 3.187 50 0 GGAARN CCc1nc(C)c(CNC(=O)N2CCCC[C@@H]2c2nc(CCOC)no2)s1 ZINC000534579686 570902444 /nfs/dbraw/zinc/90/24/44/570902444.db2.gz SJVSBKQPQQOBLX-CYBMUJFWSA-N 0 0 393.513 3.023 50 0 GGAARN CC(C)n1ccnc1CNC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000534581920 570902954 /nfs/dbraw/zinc/90/29/54/570902954.db2.gz NTPXTYFQDKYPRY-UHFFFAOYSA-N 0 0 376.888 3.311 50 0 GGAARN COc1cccc2c1OCCCN(C(=O)NCCc1nc3cc(C)ccc3[nH]1)C2 ZINC000534581897 570903078 /nfs/dbraw/zinc/90/30/78/570903078.db2.gz NKAILCOJFMWPEK-UHFFFAOYSA-N 0 0 394.475 3.417 50 0 GGAARN O=C(NCc1nc(C2CCCCC2)no1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000534583436 570903624 /nfs/dbraw/zinc/90/36/24/570903624.db2.gz YDJCRSVWQULBRK-SFHVURJKSA-N 0 0 399.495 3.403 50 0 GGAARN COCC[C@H]1CCCCN1C(=O)c1ccc(-c2ccc(CC(N)=O)cc2)cc1 ZINC000534585566 570904523 /nfs/dbraw/zinc/90/45/23/570904523.db2.gz JLZHVDCHGQUNQM-OAQYLSRUSA-N 0 0 380.488 3.413 50 0 GGAARN COc1cccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCOCC2)c1 ZINC000023105957 570904937 /nfs/dbraw/zinc/90/49/37/570904937.db2.gz WXHDAIANROISAZ-QFIPXVFZSA-N 0 0 398.503 3.286 50 0 GGAARN Cc1ccc(-c2noc([C@H](C)NC(=O)N(C)Cc3nncn3C(C)C)n2)cc1 ZINC000534586268 570904934 /nfs/dbraw/zinc/90/49/34/570904934.db2.gz LPQNRHBTDLNTBM-AWEZNQCLSA-N 0 0 383.456 3.120 50 0 GGAARN Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1C ZINC000023107903 570905930 /nfs/dbraw/zinc/90/59/30/570905930.db2.gz YTACHFCSPFEZDK-KRWDZBQOSA-N 0 0 394.562 3.025 50 0 GGAARN Cc1cc(OCC(=O)N2CCCC[C@H]2CCN2CCOCC2)cc(C)c1Cl ZINC000015831585 570906090 /nfs/dbraw/zinc/90/60/90/570906090.db2.gz KBEIDVJBQVHXRX-SFHVURJKSA-N 0 0 394.943 3.439 50 0 GGAARN CC(C)Cn1cncc1CNC(=O)N(Cc1ccsc1)C[C@H]1CCCO1 ZINC000534590137 570906182 /nfs/dbraw/zinc/90/61/82/570906182.db2.gz MMZNQOZEACGQNH-GOSISDBHSA-N 0 0 376.526 3.491 50 0 GGAARN CNc1ccc(-c2ccc(C(=O)N3CCC(O)(c4ccccc4)CC3)cc2)cn1 ZINC000534591827 570906432 /nfs/dbraw/zinc/90/64/32/570906432.db2.gz WGTDERVVWTVPBX-UHFFFAOYSA-N 0 0 387.483 3.336 50 0 GGAARN O=c1ccc2cc(S(=O)(=O)NCCCn3ccc4ccccc43)ccc2o1 ZINC000044301907 570906851 /nfs/dbraw/zinc/90/68/51/570906851.db2.gz AZRQZKSSPVREQE-UHFFFAOYSA-N 0 0 382.441 3.116 50 0 GGAARN COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C)cc4)CC3)[nH]n2)cc1 ZINC000051315765 570907013 /nfs/dbraw/zinc/90/70/13/570907013.db2.gz VJCNRTGNOKBUIA-UHFFFAOYSA-N 0 0 376.460 3.356 50 0 GGAARN COc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4C)CC3)[nH]n2)cc1 ZINC000051315763 570907079 /nfs/dbraw/zinc/90/70/79/570907079.db2.gz PLDRQFJOSVFUSG-UHFFFAOYSA-N 0 0 376.460 3.356 50 0 GGAARN C[C@@H]1CCc2c(sc3[nH]c(CCC(=O)NCc4cccs4)nc(=O)c23)C1 ZINC000015861418 570907198 /nfs/dbraw/zinc/90/71/98/570907198.db2.gz BJEUQJWDBXHWMG-LLVKDONJSA-N 0 0 387.530 3.420 50 0 GGAARN COc1cccc(-c2cc(C(=O)N3CCN(c4ccc(C)cc4)CC3)[nH]n2)c1 ZINC000051315796 570907242 /nfs/dbraw/zinc/90/72/42/570907242.db2.gz JZLRYNBIIYPNOV-UHFFFAOYSA-N 0 0 376.460 3.356 50 0 GGAARN CC1=NS(=O)(=O)c2cc(C(=O)NCc3ccccc3)ccc2N1CC(C)C ZINC000015867678 570907518 /nfs/dbraw/zinc/90/75/18/570907518.db2.gz MQHASWZIEOMNGF-UHFFFAOYSA-N 0 0 385.489 3.200 50 0 GGAARN COc1ccc([C@@H]2C[C@@H](c3ccc(C)c(C)c3)Nc3nnnn32)c(OC)c1OC ZINC000015866329 570907569 /nfs/dbraw/zinc/90/75/69/570907569.db2.gz JQKYNZOTJPNAGK-IRXDYDNUSA-N 0 0 395.463 3.462 50 0 GGAARN COc1ccc([C@@H]2C[C@H](c3ccc(C)c(C)c3)Nc3nnnn32)c(OC)c1OC ZINC000015866331 570907578 /nfs/dbraw/zinc/90/75/78/570907578.db2.gz JQKYNZOTJPNAGK-SJORKVTESA-N 0 0 395.463 3.462 50 0 GGAARN O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000263585170 570907852 /nfs/dbraw/zinc/90/78/52/570907852.db2.gz FWWJLVOPROYIAA-WBVHZDCISA-N 0 0 387.483 3.468 50 0 biogenic GGAARN CCOC(=O)CSC1=Nc2ccccc2C2=N[C@H](Cc3ccccc3)C(=O)N21 ZINC000045299336 570908436 /nfs/dbraw/zinc/90/84/36/570908436.db2.gz ZDGKPANAJBOQQS-QGZVFWFLSA-N 0 0 393.468 3.184 50 0 GGAARN CCOC(=O)c1cn2nc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)sc2n1 ZINC000498050579 570909217 /nfs/dbraw/zinc/90/92/17/570909217.db2.gz NVTPSARAIWTPCS-NSHDSACASA-N 0 0 380.470 3.082 50 0 GGAARN Cc1c(C(=O)N2CCN(c3ccc(C)cc3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000051317525 570909769 /nfs/dbraw/zinc/90/97/69/570909769.db2.gz VDKCOFJTXLTMLW-UHFFFAOYSA-N 0 0 395.894 3.500 50 0 GGAARN Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)nnn1-c1ccc(C)c(C)c1 ZINC000051317540 570909810 /nfs/dbraw/zinc/90/98/10/570909810.db2.gz ZZJXQJOTZTXIEI-UHFFFAOYSA-N 0 0 393.466 3.294 50 0 GGAARN Cc1c(C(=O)N2CCN(c3ccccc3)CC2)nnn1-c1ccc(C)c(C)c1 ZINC000051317533 570909833 /nfs/dbraw/zinc/90/98/33/570909833.db2.gz XZWJDDQGOPKRQQ-UHFFFAOYSA-N 0 0 375.476 3.155 50 0 GGAARN Cc1c(C(=O)N2CCN(c3cccc(C)c3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000051317491 570910212 /nfs/dbraw/zinc/91/02/12/570910212.db2.gz VVRJXKLXUXPRCK-UHFFFAOYSA-N 0 0 395.894 3.500 50 0 GGAARN CC(C)C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cccnc1 ZINC000534631888 570910509 /nfs/dbraw/zinc/91/05/09/570910509.db2.gz IGZQWVFRJVCSPN-HXUWFJFHSA-N 0 0 380.492 3.336 50 0 GGAARN C[C@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)c1cnn(-c2ccc(F)cc2)c1 ZINC000534632593 570910526 /nfs/dbraw/zinc/91/05/26/570910526.db2.gz IUSGANVSSPREPN-AWEZNQCLSA-N 0 0 382.443 3.385 50 0 GGAARN C[C@H](NC(=O)N1CCC2(CCO2)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000534633064 570910900 /nfs/dbraw/zinc/91/09/00/570910900.db2.gz MJSZGISIMLBYDC-LBPRGKRZSA-N 0 0 376.844 3.416 50 0 GGAARN C[C@@H](NC(=O)N1CCC2(CCO2)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000534633063 570910976 /nfs/dbraw/zinc/91/09/76/570910976.db2.gz MJSZGISIMLBYDC-GFCCVEGCSA-N 0 0 376.844 3.416 50 0 GGAARN COC(=O)c1cc(-c2cccc(C(=O)N[C@H](C)c3c(C)nn(C)c3C)c2)c[nH]1 ZINC000534635521 570911753 /nfs/dbraw/zinc/91/17/53/570911753.db2.gz WEXSZUSKBKVMDV-GFCCVEGCSA-N 0 0 380.448 3.310 50 0 GGAARN COC(=O)c1cc(-c2cccc(C(=O)N[C@@H](C)c3c(C)nn(C)c3C)c2)c[nH]1 ZINC000534635522 570911791 /nfs/dbraw/zinc/91/17/91/570911791.db2.gz WEXSZUSKBKVMDV-LBPRGKRZSA-N 0 0 380.448 3.310 50 0 GGAARN CCn1nc(-c2cccc(C(=O)N[C@H](C)c3ccc(C)nc3)c2)nc1N(C)C ZINC000534637114 570912256 /nfs/dbraw/zinc/91/22/56/570912256.db2.gz XTSGWYWYOGRYHJ-OAHLLOKOSA-N 0 0 378.480 3.225 50 0 GGAARN CCn1nc(-c2cccc(C(=O)N[C@@H](C)c3ccc(C)nc3)c2)nc1N(C)C ZINC000534637113 570912278 /nfs/dbraw/zinc/91/22/78/570912278.db2.gz XTSGWYWYOGRYHJ-HNNXBMFYSA-N 0 0 378.480 3.225 50 0 GGAARN CCN(Cc1cnn(CC)c1)C(=O)c1cccc(-c2c(C)n[nH]c2COC)c1 ZINC000534637072 570912345 /nfs/dbraw/zinc/91/23/45/570912345.db2.gz YOCZXEAJNQTUGU-UHFFFAOYSA-N 0 0 381.480 3.410 50 0 GGAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1 ZINC000004496213 570912454 /nfs/dbraw/zinc/91/24/54/570912454.db2.gz VHDVSEQXCGTLNA-UHFFFAOYSA-N 0 0 399.472 3.464 50 0 GGAARN Cc1ccc(OC[C@H](O)CN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 ZINC000016839738 570913002 /nfs/dbraw/zinc/91/30/02/570913002.db2.gz ZLLAQYWRTZMNCD-GOSISDBHSA-N 0 0 377.506 3.126 50 0 GGAARN Cc1cc(C)c(N(C[C@@H](O)COc2ccccc2Cl)S(C)(=O)=O)c(C)c1 ZINC000016839723 570913041 /nfs/dbraw/zinc/91/30/41/570913041.db2.gz DUTAFPXLLDXVKZ-MRXNPFEDSA-N 0 0 397.924 3.471 50 0 GGAARN Cc1nn(C)cc1-c1ccc(C(=O)N2CCN(c3cccc(O)c3)CC2)cc1 ZINC000534649870 570913092 /nfs/dbraw/zinc/91/30/92/570913092.db2.gz NVAYQPKWFCWIIJ-UHFFFAOYSA-N 0 0 376.460 3.064 50 0 GGAARN Cc1nn(C)c(C)c1CN(C(=O)c1ccc(-c2ccncc2N)cc1)C1CC1 ZINC000534640170 570913229 /nfs/dbraw/zinc/91/32/29/570913229.db2.gz JWOMNWRPEMFTRZ-UHFFFAOYSA-N 0 0 375.476 3.486 50 0 GGAARN O=C(NCCc1nc2ccccc2o1)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000534641408 570913358 /nfs/dbraw/zinc/91/33/58/570913358.db2.gz ANAKOXVTDJPETI-KRWDZBQOSA-N 0 0 380.448 3.156 50 0 GGAARN CCCc1cc(=O)[nH]c(SCC(=O)Nc2oncc2-c2ccc(C)cc2)n1 ZINC000016841392 570913365 /nfs/dbraw/zinc/91/33/65/570913365.db2.gz JJPMHKCGRODUAJ-UHFFFAOYSA-N 0 0 384.461 3.417 50 0 GGAARN COc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3C)n2)cc1 ZINC000016843305 570913579 /nfs/dbraw/zinc/91/35/79/570913579.db2.gz 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ZINC000016851295 570915375 /nfs/dbraw/zinc/91/53/75/570915375.db2.gz OFQCRBYKVFUSHC-UHFFFAOYSA-N 0 0 396.472 3.272 50 0 GGAARN CC(C)Cc1noc(CNC2CCN(c3ncc4ccc(F)cc4n3)CC2)n1 ZINC000534656608 570915607 /nfs/dbraw/zinc/91/56/07/570915607.db2.gz LQQHNHRPLLBNDR-UHFFFAOYSA-N 0 0 384.459 3.109 50 0 GGAARN COc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3C)c2)cc1OC ZINC000007573977 570915793 /nfs/dbraw/zinc/91/57/93/570915793.db2.gz WOJNTTLYNPVBOZ-UHFFFAOYSA-N 0 0 378.428 3.475 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)COc2cccc3c2ccn(CC)c3=O)cc1 ZINC000004584083 570915827 /nfs/dbraw/zinc/91/58/27/570915827.db2.gz SFAIKIGAMPQZPE-UHFFFAOYSA-N 0 0 394.427 3.216 50 0 GGAARN COc1cccc(CSc2nc(CC(=O)Nc3cccnc3)cc(=O)[nH]2)c1 ZINC000023138128 570916068 /nfs/dbraw/zinc/91/60/68/570916068.db2.gz AKRTZLZTRUMZOL-UHFFFAOYSA-N 0 0 382.445 3.059 50 0 GGAARN CC[C@H]1C(=O)NCCN1C(=O)c1cccc(-c2c(C)c3ccccc3[nH]c2=O)c1 ZINC000534658816 570916313 /nfs/dbraw/zinc/91/63/13/570916313.db2.gz QZJAHEVTNTXMLS-IBGZPJMESA-N 0 0 389.455 3.266 50 0 GGAARN COCCN(Cc1c(C)nn(C)c1C)C(=O)NC(C)(C)Cc1ccc(F)cc1 ZINC000534658078 570916423 /nfs/dbraw/zinc/91/64/23/570916423.db2.gz QYXBNQIMFWLXEZ-UHFFFAOYSA-N 0 0 390.503 3.355 50 0 GGAARN Cc1cc(NC(=O)CSc2nnc(C)c3cnn(-c4ccccc4)c32)no1 ZINC000023137540 570916456 /nfs/dbraw/zinc/91/64/56/570916456.db2.gz MCESRWNCBKQXKK-UHFFFAOYSA-N 0 0 380.433 3.151 50 0 GGAARN Cc1c(-c2cccc(C(=O)NCCn3cccn3)c2)c(C(F)(F)F)nn1C ZINC000534649548 570917638 /nfs/dbraw/zinc/91/76/38/570917638.db2.gz NJJHLVUHEHGJMI-UHFFFAOYSA-N 0 0 377.370 3.041 50 0 GGAARN Cc1cccn2c(=O)cc(OCC(=O)Nc3ccc(SC(F)F)cc3)nc12 ZINC000023141388 570917934 /nfs/dbraw/zinc/91/79/34/570917934.db2.gz ORCKPVNVFDMOEF-UHFFFAOYSA-N 0 0 391.399 3.335 50 0 GGAARN CCOCCn1ccc2c(OCC(=O)c3ccc(OC)cc3)cccc2c1=O ZINC000004584391 570918131 /nfs/dbraw/zinc/91/81/31/570918131.db2.gz CKLIOHJBCZCVGX-UHFFFAOYSA-N 0 0 381.428 3.308 50 0 GGAARN O=C(NCc1cccnc1)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000023142852 570918315 /nfs/dbraw/zinc/91/83/15/570918315.db2.gz 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570919205 /nfs/dbraw/zinc/91/92/05/570919205.db2.gz FRRZZQIUSYQMMX-UHFFFAOYSA-N 0 0 393.495 3.384 50 0 GGAARN Cc1cccc2[nH]nc(-c3ccc(C(=O)N4CCCC[C@@H]4CC(N)=O)cc3)c21 ZINC000534665369 570919446 /nfs/dbraw/zinc/91/94/46/570919446.db2.gz MDYCCNPMBAQFOS-QGZVFWFLSA-N 0 0 376.460 3.408 50 0 GGAARN CC(CNC(=O)N1CCCC[C@H]1CC(N)=O)(c1ccccc1)c1ccccc1 ZINC000534666227 570919463 /nfs/dbraw/zinc/91/94/63/570919463.db2.gz NSDCDFNTPVMKTF-FQEVSTJZSA-N 0 0 379.504 3.432 50 0 GGAARN CCCCN(Cc1cccnc1)C(=O)c1cccc(-c2ccc(NC)nn2)c1 ZINC000534666208 570919534 /nfs/dbraw/zinc/91/95/34/570919534.db2.gz DUUQXUUAVDZXLF-UHFFFAOYSA-N 0 0 375.476 3.445 50 0 GGAARN NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153821 570919626 /nfs/dbraw/zinc/91/96/26/570919626.db2.gz GCKPZFPIXREGOR-UHFFFAOYSA-N 0 0 381.457 3.251 50 0 GGAARN COC(=O)Cn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccccc1Cl ZINC000016960217 570920166 /nfs/dbraw/zinc/92/01/66/570920166.db2.gz DPUKQIICTCRWBC-ZZEZOPTASA-N 0 0 390.848 3.279 50 0 GGAARN Cc1ccc(-c2noc([C@@H](C)NC(=O)N(Cc3cnn(C)c3)C3CC3)n2)cc1 ZINC000534669129 570920321 /nfs/dbraw/zinc/92/03/21/570920321.db2.gz RUSVGMYMWUGCEK-CQSZACIVSA-N 0 0 380.452 3.214 50 0 GGAARN CC[C@@](C)(CCNC(=O)N1CCC(NC(C)=O)CC1)c1ccccc1OC ZINC000534668911 570920466 /nfs/dbraw/zinc/92/04/66/570920466.db2.gz HKPBLUMDQBNMON-NRFANRHFSA-N 0 0 375.513 3.063 50 0 GGAARN Cc1[nH]nc(C2CC2)c1-c1ccc(C(=O)NCC[C@H](C)N2CCOCC2)cc1 ZINC000534671350 570920955 /nfs/dbraw/zinc/92/09/55/570920955.db2.gz GLKQWMUPLLJWQM-HNNXBMFYSA-N 0 0 382.508 3.103 50 0 GGAARN CSc1ccccc1NC(=O)C(=O)NCCc1ccc(N2CCCC2)cc1 ZINC000016975449 570921260 /nfs/dbraw/zinc/92/12/60/570921260.db2.gz MOMVACJITHXWRN-UHFFFAOYSA-N 0 0 383.517 3.306 50 0 GGAARN CCCc1cc(-c2ccc(C(=O)NC3(C(N)=O)CCCCC3)cc2)nc(C)n1 ZINC000534673868 570921714 /nfs/dbraw/zinc/92/17/14/570921714.db2.gz HSGYVHMEDUKIQI-UHFFFAOYSA-N 0 0 380.492 3.323 50 0 GGAARN CC[C@@H](C)Oc1ccccc1CNC(=O)N1CCN(C(=O)CC(C)C)CC1 ZINC000534674643 570921943 /nfs/dbraw/zinc/92/19/43/570921943.db2.gz NPQMOMVGURBDRR-QGZVFWFLSA-N 0 0 375.513 3.264 50 0 GGAARN CCN(C(=O)c1ccc(-c2cc(C(N)=O)ccc2OC)cc1)C1CCOCC1 ZINC000534675379 570922971 /nfs/dbraw/zinc/92/29/71/570922971.db2.gz BCDMZXPCWLOTRG-UHFFFAOYSA-N 0 0 382.460 3.102 50 0 GGAARN Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccc(C)cc4)n3n2)no1 ZINC000004035722 570923504 /nfs/dbraw/zinc/92/35/04/570923504.db2.gz VREHNNDXWACBJM-UHFFFAOYSA-N 0 0 380.433 3.127 50 0 GGAARN CC(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1ccccc1 ZINC000004036057 570923570 /nfs/dbraw/zinc/92/35/70/570923570.db2.gz RPOPAFRJZIKTAQ-IBGZPJMESA-N 0 0 385.489 3.392 50 0 GGAARN Cc1cc(N(C)C)nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)n1 ZINC000017013932 570924190 /nfs/dbraw/zinc/92/41/90/570924190.db2.gz ZQCZDNCTYGHQCI-UHFFFAOYSA-N 0 0 383.477 3.395 50 0 GGAARN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@H]3N3CCCN23)cc1 ZINC000019169700 570924951 /nfs/dbraw/zinc/92/49/51/570924951.db2.gz ZGYDRGKCQAVZKQ-QRVBRYPASA-N 0 0 399.853 3.323 50 0 GGAARN Cc1ccc(CNC(=O)Cn2c(CO)cnc2SCc2ccccc2)cc1 ZINC000017041531 570925083 /nfs/dbraw/zinc/92/50/83/570925083.db2.gz ZAYLZLSVIMVEND-UHFFFAOYSA-N 0 0 381.501 3.293 50 0 GGAARN CC(C)[C@H](NC(=O)CCn1cnc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000016469666 570925451 /nfs/dbraw/zinc/92/54/51/570925451.db2.gz LWSAXISBOQSYFC-FQEVSTJZSA-N 0 0 389.459 3.176 50 0 GGAARN CCSc1nnc(CNC(=O)c2ccccc2F)n1-c1ccccc1OC ZINC000004059325 570926337 /nfs/dbraw/zinc/92/63/37/570926337.db2.gz XEZABKMLYJQZBI-UHFFFAOYSA-N 0 0 386.452 3.457 50 0 GGAARN CCSc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1ccc(OC)cc1 ZINC000004059379 570926342 /nfs/dbraw/zinc/92/63/42/570926342.db2.gz SATQUECXGUKWJX-UHFFFAOYSA-N 0 0 398.488 3.327 50 0 GGAARN CCSc1nnc(CNC(=O)c2cccc(OC)c2)n1-c1ccccc1OC ZINC000004059345 570926419 /nfs/dbraw/zinc/92/64/19/570926419.db2.gz HBAGTUURKQPHIV-UHFFFAOYSA-N 0 0 398.488 3.327 50 0 GGAARN COc1ccc(-n2c(Cn3c4ccccc4sc3=O)nnc2SC)cc1 ZINC000004062272 570927704 /nfs/dbraw/zinc/92/77/04/570927704.db2.gz QDLUUXQRNYALTG-UHFFFAOYSA-N 0 0 384.486 3.423 50 0 GGAARN CCn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1cccnc1 ZINC000016552229 570927880 /nfs/dbraw/zinc/92/78/80/570927880.db2.gz HKLBSDSNUIZBLO-UHFFFAOYSA-N 0 0 387.896 3.422 50 0 GGAARN Cc1cccc(CSc2ncc(CO)n2CC(=O)NCc2ccccc2)c1 ZINC000017123039 570928006 /nfs/dbraw/zinc/92/80/06/570928006.db2.gz ULFJWZBQJWBIBT-UHFFFAOYSA-N 0 0 381.501 3.293 50 0 GGAARN CCCCOCCCN1CC(=O)N2[C@H](C)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000004063280 570928051 /nfs/dbraw/zinc/92/80/51/570928051.db2.gz CYRGZSURHJNQJD-BEFAXECRSA-N 0 0 383.492 3.031 50 0 biogenic GGAARN COCCn1ccc2c1cccc2OCC(=O)Nc1n[nH]c(-c2cccs2)n1 ZINC000263587130 570928987 /nfs/dbraw/zinc/92/89/87/570928987.db2.gz COVLNPAOPHYMPF-UHFFFAOYSA-N 0 0 397.460 3.152 50 0 GGAARN O=C(COc1ccc(Cl)cc1)NCCCN1CCO[C@@H](c2ccccc2)C1 ZINC000017178540 570928992 /nfs/dbraw/zinc/92/89/92/570928992.db2.gz YCIWDAUFHULXAV-HXUWFJFHSA-N 0 0 388.895 3.299 50 0 GGAARN O=C(COc1ccc(Cl)cc1)NCCCN1CCO[C@H](c2ccccc2)C1 ZINC000017178542 570929046 /nfs/dbraw/zinc/92/90/46/570929046.db2.gz YCIWDAUFHULXAV-FQEVSTJZSA-N 0 0 388.895 3.299 50 0 GGAARN O=C(NCCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000017155786 570929058 /nfs/dbraw/zinc/92/90/58/570929058.db2.gz VKGAFAAKJBNFCP-UHFFFAOYSA-N 0 0 389.858 3.377 50 0 GGAARN CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000016649190 570929701 /nfs/dbraw/zinc/92/97/01/570929701.db2.gz ROKSUAXGOVUIMR-UHFFFAOYSA-N 0 0 399.516 3.377 50 0 GGAARN CCc1ccc(-c2ccc(N3C[C@@H](C)C[C@H](C)C3)nn2)cc1S(=O)(=O)NC ZINC000016650258 570929708 /nfs/dbraw/zinc/92/97/08/570929708.db2.gz WQRQRFXUZQMTDS-GJZGRUSLSA-N 0 0 388.537 3.096 50 0 GGAARN COc1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 ZINC000004072504 570929745 /nfs/dbraw/zinc/92/97/45/570929745.db2.gz NZGYCDNFZKWTKB-UHFFFAOYSA-N 0 0 381.413 3.211 50 0 GGAARN CCOc1ccc(-n2nnc(C(=O)Nc3cc(OC)ccc3Cl)c2N)cc1 ZINC000016648379 570929791 /nfs/dbraw/zinc/92/97/91/570929791.db2.gz UPIPXVNOBYNTMN-UHFFFAOYSA-N 0 0 387.827 3.163 50 0 GGAARN Cc1ccc(-c2csc3ncc(C(=O)NCc4ccccn4)c(=O)n23)cc1 ZINC000016652373 570929845 /nfs/dbraw/zinc/92/98/45/570929845.db2.gz JCYWDIGMZVOLQK-UHFFFAOYSA-N 0 0 376.441 3.056 50 0 GGAARN CCCc1nnc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)s1 ZINC000016648530 570929905 /nfs/dbraw/zinc/92/99/05/570929905.db2.gz XIKHMSBJRMHCLP-UHFFFAOYSA-N 0 0 376.457 3.121 50 0 GGAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(Cc2ccccc2)C(=O)[C@]31C ZINC000004073278 570929891 /nfs/dbraw/zinc/92/98/91/570929891.db2.gz KXQRSMWFPPBBCT-QFIPXVFZSA-N 0 0 375.428 3.412 50 0 biogenic GGAARN O=C(NCc1ccncc1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000806145 570929949 /nfs/dbraw/zinc/92/99/49/570929949.db2.gz RWSYBQKTJGTUGH-UHFFFAOYSA-N 0 0 386.860 3.498 50 0 GGAARN COc1ccc2c(C)c(CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(=O)oc2c1C ZINC000004073349 570930218 /nfs/dbraw/zinc/93/02/18/570930218.db2.gz SVFILLKMUZNIAA-HJPURHCSSA-N 0 0 399.487 3.115 50 0 biogenic GGAARN COCCn1ccc2c1cccc2OCC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000263587207 570930309 /nfs/dbraw/zinc/93/03/09/570930309.db2.gz DJDMWIBCBXHQSV-QFIPXVFZSA-N 0 0 394.471 3.267 50 0 GGAARN COC(=O)[C@@H](C)n1cnc2sc(C(=O)Nc3ccccc3C)c(C)c2c1=O ZINC000000958439 570930534 /nfs/dbraw/zinc/93/05/34/570930534.db2.gz GXCFSNQCBSXBGX-GFCCVEGCSA-N 0 0 385.445 3.061 50 0 GGAARN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000001057420 570930883 /nfs/dbraw/zinc/93/08/83/570930883.db2.gz GTLBHZJDVDURGV-INIZCTEOSA-N 0 0 388.489 3.043 50 0 GGAARN Cc1nc2sc3c(c2c(N2CCN(C(=O)c4ccco4)CC2)n1)CCCC3 ZINC000001332467 570931732 /nfs/dbraw/zinc/93/17/32/570931732.db2.gz GDPDARVUXXOYAJ-UHFFFAOYSA-N 0 0 382.489 3.434 50 0 GGAARN O=C(Nc1ccc2c(c1)CCC2)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000001357643 570931808 /nfs/dbraw/zinc/93/18/08/570931808.db2.gz SFCOQEYVOOWFHW-UHFFFAOYSA-N 0 0 384.501 3.215 50 0 GGAARN COCCn1ccc2c1cccc2OCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000263587971 570932089 /nfs/dbraw/zinc/93/20/89/570932089.db2.gz NRCJJYQDQVODML-UHFFFAOYSA-N 0 0 381.432 3.264 50 0 GGAARN COc1ccc(/C=C/C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000016741779 570932230 /nfs/dbraw/zinc/93/22/30/570932230.db2.gz SHWFKECLAGQHRZ-RGFVMQALSA-N 0 0 399.512 3.233 50 0 GGAARN COc1ccc(-c2cc(CNC(=O)/C=C\c3ccc4c(c3)OCO4)no2)cc1 ZINC000012637991 570932509 /nfs/dbraw/zinc/93/25/09/570932509.db2.gz FFIHWFUNVDCJSK-OQFOIZHKSA-N 0 0 378.384 3.409 50 0 GGAARN COc1cccc(CN(C(=O)/C=C/c2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000016742515 570932638 /nfs/dbraw/zinc/93/26/38/570932638.db2.gz KYWYYLCBHAVYQR-CTDFXDFQSA-N 0 0 399.512 3.233 50 0 GGAARN CCOc1cccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCO)c1 ZINC000016806330 570933581 /nfs/dbraw/zinc/93/35/81/570933581.db2.gz GRDXOFJYQKHILH-IBGZPJMESA-N 0 0 393.439 3.346 50 0 GGAARN Cc1cc(C)n(C(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)cc2)n1 ZINC000016843446 570933912 /nfs/dbraw/zinc/93/39/12/570933912.db2.gz HRGFOSGZMGTZMX-UHFFFAOYSA-N 0 0 389.502 3.383 50 0 GGAARN Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccn5)no4)ccn3n2)cc1C ZINC000016842776 570934073 /nfs/dbraw/zinc/93/40/73/570934073.db2.gz PTJGQMGYTOYDDH-UHFFFAOYSA-N 0 0 398.426 3.273 50 0 GGAARN COc1ccc(/C=C/c2nc3s/c(=C/c4ccc(C)cc4)c(=O)n3n2)cc1 ZINC000016807430 570934102 /nfs/dbraw/zinc/93/41/02/570934102.db2.gz BGSBRCBAPUPEED-HEMGCLFMSA-N 0 0 375.453 3.186 50 0 GGAARN Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1c[nH]c2ccccc21 ZINC000002876456 570934266 /nfs/dbraw/zinc/93/42/66/570934266.db2.gz WAZPGJTTZVHFPT-UHFFFAOYSA-N 0 0 377.473 3.372 50 0 GGAARN Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1c1ccnc(C2CC2)n1 ZINC000096002430 570936305 /nfs/dbraw/zinc/93/63/05/570936305.db2.gz YGQQWNGTLVSDCI-CQSZACIVSA-N 0 0 381.402 3.308 50 0 GGAARN O=C(Nc1ccccc1F)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000017028399 570937708 /nfs/dbraw/zinc/93/77/08/570937708.db2.gz LRMXBJNMQKVYKG-UHFFFAOYSA-N 0 0 395.434 3.274 50 0 GGAARN C[C@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCC(N)=O)[nH]c(=O)c21 ZINC000017044425 570937901 /nfs/dbraw/zinc/93/79/01/570937901.db2.gz BNWLNCUBWBXSDF-OAQYLSRUSA-N 0 0 383.517 3.408 50 0 GGAARN COc1ccccc1NC(=O)Nc1nnc(CC(=O)Nc2ccccc2)s1 ZINC000017058505 570937960 /nfs/dbraw/zinc/93/79/60/570937960.db2.gz JQGUNIOVCUGRBH-UHFFFAOYSA-N 0 0 383.433 3.372 50 0 GGAARN C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)NCc1cccc(Cl)c1 ZINC000017044336 570938146 /nfs/dbraw/zinc/93/81/46/570938146.db2.gz CFHZFEPCQWMNLM-LBPRGKRZSA-N 0 0 386.839 3.163 50 0 GGAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)NCc1ccccc1 ZINC000017057238 570938172 /nfs/dbraw/zinc/93/81/72/570938172.db2.gz PHFGUBRSDRRYIK-UHFFFAOYSA-N 0 0 385.514 3.272 50 0 GGAARN Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)NCc2cccnc2)c1 ZINC000006710076 570938680 /nfs/dbraw/zinc/93/86/80/570938680.db2.gz KBPWISVKKWCEJZ-UHFFFAOYSA-N 0 0 395.484 3.429 50 0 GGAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3cnn(Cc4ccccc4F)c3)c12 ZINC000017077351 570938967 /nfs/dbraw/zinc/93/89/67/570938967.db2.gz KGMYJMYKUNHIDH-UHFFFAOYSA-N 0 0 378.411 3.221 50 0 GGAARN COC(=O)c1sccc1NC(=O)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000017077187 570938982 /nfs/dbraw/zinc/93/89/82/570938982.db2.gz PPOFSVLWGVKRPO-UHFFFAOYSA-N 0 0 377.441 3.024 50 0 GGAARN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000017078164 570939617 /nfs/dbraw/zinc/93/96/17/570939617.db2.gz QLQPWQOARWMQDI-OAHLLOKOSA-N 0 0 382.526 3.442 50 0 GGAARN CCc1ccc(CN2CCN(C(=O)Nc3ccsc3C(=O)OC)CC2)cc1 ZINC000017079138 570940025 /nfs/dbraw/zinc/94/00/25/570940025.db2.gz YTJXTMJFRRLOFN-UHFFFAOYSA-N 0 0 387.505 3.447 50 0 GGAARN CC(C)COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc5ccccc54)C(=O)[C@H]13)O2 ZINC000002091407 570940027 /nfs/dbraw/zinc/94/00/27/570940027.db2.gz LKEZNSDMWYWRIY-QTDGGUCWSA-N 0 0 377.440 3.325 50 0 biogenic GGAARN COC(=O)c1cc(C)sc1NC(=O)N1CCN(CCc2ccccc2)CC1 ZINC000017079146 570940064 /nfs/dbraw/zinc/94/00/64/570940064.db2.gz RZIVQFFIHWLMJM-UHFFFAOYSA-N 0 0 387.505 3.235 50 0 GGAARN COc1cccc(-c2nnc(SCC(=O)Nc3cccnc3Cl)n2C)c1 ZINC000017079564 570940394 /nfs/dbraw/zinc/94/03/94/570940394.db2.gz JAQAWSRVADHGJU-UHFFFAOYSA-N 0 0 389.868 3.270 50 0 GGAARN CCc1cc(=O)oc2c(C)c(OC(=O)CNC(=O)OCc3ccccc3)ccc12 ZINC000002092739 570940568 /nfs/dbraw/zinc/94/05/68/570940568.db2.gz POXIRXQWELLVQY-UHFFFAOYSA-N 0 0 395.411 3.496 50 0 biogenic GGAARN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)N3CCCC3)cc2)cc1 ZINC000017079996 570940712 /nfs/dbraw/zinc/94/07/12/570940712.db2.gz LOUPDIATPIIGDP-UHFFFAOYSA-N 0 0 391.518 3.289 50 0 GGAARN O=S(=O)(c1ccc(NC(=S)NCc2ccco2)cc1)N1CCCCCC1 ZINC000017080428 570940862 /nfs/dbraw/zinc/94/08/62/570940862.db2.gz WLUNQWZPNITTEZ-UHFFFAOYSA-N 0 0 393.534 3.331 50 0 GGAARN CCOC(=O)CCc1c(C)c2ccc(OCC(=O)OC(C)(C)C)cc2oc1=O ZINC000002095746 570941366 /nfs/dbraw/zinc/94/13/66/570941366.db2.gz WYBVIUFFJYSIAT-UHFFFAOYSA-N 0 0 390.432 3.318 50 0 biogenic GGAARN COc1ccccc1CNC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3 ZINC000002096236 570941370 /nfs/dbraw/zinc/94/13/70/570941370.db2.gz WBOKRLJXXQGGOT-UHFFFAOYSA-N 0 0 393.439 3.294 50 0 biogenic GGAARN C[C@@H](O)CNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(F)cc2)n1 ZINC000017113801 570941617 /nfs/dbraw/zinc/94/16/17/570941617.db2.gz MSYATPYKXGXALO-CYBMUJFWSA-N 0 0 378.411 3.491 50 0 GGAARN C[C@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1 ZINC000007963137 570941622 /nfs/dbraw/zinc/94/16/22/570941622.db2.gz DPAFBLUFQAYEAV-WBVHZDCISA-N 0 0 392.546 3.069 50 0 GGAARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC(C)C)cc1 ZINC000002098023 570941651 /nfs/dbraw/zinc/94/16/51/570941651.db2.gz PEWICKSZGIJXTH-HXUWFJFHSA-N 0 0 380.444 3.469 50 0 biogenic GGAARN Cc1ccccc1CS(=O)(=O)c1nnc(NC(=O)c2ccccc2F)s1 ZINC000017113172 570941666 /nfs/dbraw/zinc/94/16/66/570941666.db2.gz VJJCMLLBAQZRNX-UHFFFAOYSA-N 0 0 391.449 3.212 50 0 GGAARN Cc1cc(NC(=O)CCc2nc(CSc3nc4ccccc4o3)no2)no1 ZINC000033270866 570947128 /nfs/dbraw/zinc/94/71/28/570947128.db2.gz PYSZFGZHCDOWMG-UHFFFAOYSA-N 0 0 385.405 3.371 50 0 GGAARN CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1cccnc1 ZINC000002378326 570947198 /nfs/dbraw/zinc/94/71/98/570947198.db2.gz AUOUXNUWZFLIFV-UHFFFAOYSA-N 0 0 382.493 3.157 50 0 GGAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cnccn2)n1CC ZINC000002399247 570947820 /nfs/dbraw/zinc/94/78/20/570947820.db2.gz OMAQGVACHUNXCF-UHFFFAOYSA-N 0 0 382.493 3.357 50 0 GGAARN COC(=O)[C@@H](C)Oc1ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 ZINC000001237894 570947912 /nfs/dbraw/zinc/94/79/12/570947912.db2.gz PAIGCABXKKIXCP-GFCCVEGCSA-N 0 0 384.384 3.418 50 0 biogenic GGAARN CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cnccn1 ZINC000002445601 570947971 /nfs/dbraw/zinc/94/79/71/570947971.db2.gz YNCCDFODGRMQNY-UHFFFAOYSA-N 0 0 392.847 3.278 50 0 GGAARN CC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000017740304 570948629 /nfs/dbraw/zinc/94/86/29/570948629.db2.gz KQZDGQRWGREOJP-NRFANRHFSA-N 0 0 382.504 3.068 50 0 GGAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(O)cc1 ZINC000001241692 570948892 /nfs/dbraw/zinc/94/88/92/570948892.db2.gz DKCMUZKLFDOIML-SFHVURJKSA-N 0 0 383.473 3.222 50 0 GGAARN Cc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000017987476 570949510 /nfs/dbraw/zinc/94/95/10/570949510.db2.gz SAQYHYDGWUNSKJ-OALUTQOASA-N 0 0 397.452 3.218 50 0 GGAARN CC[C@H](C)NC(=O)c1cc(-c2ccc(C)c(C)c2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000033325672 570949546 /nfs/dbraw/zinc/94/95/46/570949546.db2.gz UIXRGTVGCPLSKY-DOTOQJQBSA-N 0 0 389.521 3.055 50 0 GGAARN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)c(OC)c1 ZINC000018007870 570949589 /nfs/dbraw/zinc/94/95/89/570949589.db2.gz OWJZRWNCQDUUDZ-UHFFFAOYSA-N 0 0 397.456 3.185 50 0 GGAARN CC[C@H](C)NC(=O)c1cc(-c2ccc(C)c(C)c2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000033325674 570949637 /nfs/dbraw/zinc/94/96/37/570949637.db2.gz UIXRGTVGCPLSKY-RDJZCZTQSA-N 0 0 389.521 3.055 50 0 GGAARN CCOc1ccccc1N1C(=O)C[C@@H](Sc2n[nH]c(-c3ccccc3)n2)C1=O ZINC000001245651 570949656 /nfs/dbraw/zinc/94/96/56/570949656.db2.gz ORXCHNBCYVEORW-MRXNPFEDSA-N 0 0 394.456 3.295 50 0 GGAARN CC(C)[C@H]1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nncn32)CO1 ZINC000001243030 570949677 /nfs/dbraw/zinc/94/96/77/570949677.db2.gz AFHGDPJPBZUTBB-OAHLLOKOSA-N 0 0 380.473 3.251 50 0 GGAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2OC)C(=O)[C@@]31C ZINC000002109296 570949830 /nfs/dbraw/zinc/94/98/30/570949830.db2.gz JFZBMSJRGQDHCM-JOCHJYFZSA-N 0 0 391.427 3.425 50 0 GGAARN O=c1c(-c2ccccc2)[n+]([O-])c2ccccc2n1OCc1c(F)cccc1F ZINC000001250766 570950029 /nfs/dbraw/zinc/95/00/29/570950029.db2.gz ULCYKRIETFQVJE-UHFFFAOYSA-N 0 0 380.350 3.209 50 0 GGAARN Cc1c(C)c2ccc(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2oc1=O ZINC000002111212 570950732 /nfs/dbraw/zinc/95/07/32/570950732.db2.gz XLNLCLWTBKGAEG-SEPYTNNBSA-N 0 0 399.487 3.331 50 0 biogenic GGAARN CCCc1cc(=O)oc2cc(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 ZINC000002111870 570950874 /nfs/dbraw/zinc/95/08/74/570950874.db2.gz XNGDYRYTOUCVKS-UZUQRXQVSA-N 0 0 399.487 3.278 50 0 biogenic GGAARN O=C1C[C@H](c2ccccc2)Cc2nc(N3CCN(c4ccccn4)CC3)ncc21 ZINC000018172904 570950902 /nfs/dbraw/zinc/95/09/02/570950902.db2.gz ATFNTXIDZXJUEW-GOSISDBHSA-N 0 0 385.471 3.111 50 0 GGAARN Nc1nc(SCC(=O)Nc2ccc(Cl)cc2)[nH]c(=O)c1-c1ccccc1 ZINC000018182706 570951134 /nfs/dbraw/zinc/95/11/34/570951134.db2.gz ARPOBVHTDDPBQQ-UHFFFAOYSA-N 0 0 386.864 3.403 50 0 GGAARN Cc1cccc([C@@H]2CC(=O)c3cnc(N4CCN(c5ccccn5)CC4)nc3C2)c1 ZINC000018172906 570951255 /nfs/dbraw/zinc/95/12/55/570951255.db2.gz GPMVHDONSHIGSF-IBGZPJMESA-N 0 0 399.498 3.419 50 0 GGAARN O=C(NCc1ccccn1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000018209620 570951401 /nfs/dbraw/zinc/95/14/01/570951401.db2.gz VRVYDEOWBFDZLO-SWLSCSKDSA-N 0 0 391.353 3.461 50 0 GGAARN COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)c1 ZINC000018206596 570951520 /nfs/dbraw/zinc/95/15/20/570951520.db2.gz ZLTFOMZLNGWJLI-UHFFFAOYSA-N 0 0 397.456 3.185 50 0 GGAARN O=C(NC[C@@H]1CCCO1)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000018209939 570951593 /nfs/dbraw/zinc/95/15/93/570951593.db2.gz LDOBUKYHRLKRBG-NUEKZKHPSA-N 0 0 394.397 3.452 50 0 GGAARN COc1ccc([C@@H](O)CN2CCc3c(nc(Cc4ccccc4)n3C)C2)cc1 ZINC000001271184 570951683 /nfs/dbraw/zinc/95/16/83/570951683.db2.gz OLPFKHRRXGKSCW-QFIPXVFZSA-N 0 0 377.488 3.111 50 0 GGAARN CC[C@@H](C(=O)NC[C@H](C)Cn1nccc1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607683 570951932 /nfs/dbraw/zinc/95/19/32/570951932.db2.gz BALMOAFKIUZZDS-WFASDCNBSA-N 0 0 397.445 3.299 50 0 GGAARN Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000018223056 570951971 /nfs/dbraw/zinc/95/19/71/570951971.db2.gz QEZNTSBPYZOOSL-INIZCTEOSA-N 0 0 389.459 3.012 50 0 GGAARN Cn1ncc2c1nc(C1CC1)cc2C(=O)N1CC[C@H](C(F)(F)F)n2nccc21 ZINC000020606939 570952018 /nfs/dbraw/zinc/95/20/18/570952018.db2.gz BBUTZBPOWYRCNB-CQSZACIVSA-N 0 0 390.369 3.196 50 0 GGAARN CCn1cc(CN(C)C(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)c(C)n1 ZINC000020616020 570952110 /nfs/dbraw/zinc/95/21/10/570952110.db2.gz SSBRXILPDSNPRO-UHFFFAOYSA-N 0 0 385.415 3.451 50 0 GGAARN COc1ccccc1C1=NO[C@@H](C(=O)Nc2ccc(-n3ccc(C)n3)cc2)C1 ZINC000020608060 570952136 /nfs/dbraw/zinc/95/21/36/570952136.db2.gz KCEFFXOLRCXWDC-HXUWFJFHSA-N 0 0 376.416 3.321 50 0 GGAARN O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1CCOc1ccc(F)cc1 ZINC000263615002 570952186 /nfs/dbraw/zinc/95/21/86/570952186.db2.gz ACOPTBUJFKBKSM-UHFFFAOYSA-N 0 0 397.381 3.013 50 0 GGAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000018247104 570952239 /nfs/dbraw/zinc/95/22/39/570952239.db2.gz RAXFLTMIHHGBFO-IYBDPMFKSA-N 0 0 385.441 3.134 50 0 GGAARN O=C(NCc1cccc(Cl)c1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 ZINC000263615095 570952290 /nfs/dbraw/zinc/95/22/90/570952290.db2.gz ANCLBWKSJSGGKP-QGZVFWFLSA-N 0 0 386.814 3.272 50 0 GGAARN Cc1cccc(CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)c1 ZINC000263615191 570952296 /nfs/dbraw/zinc/95/22/96/570952296.db2.gz BBMUTMGFUQBPON-UHFFFAOYSA-N 0 0 392.444 3.021 50 0 GGAARN CCc1cc2c(C)cc(=O)oc2cc1OC(=O)CCNC(=O)OC(C)(C)C ZINC000002116230 570952511 /nfs/dbraw/zinc/95/25/11/570952511.db2.gz RHJIFUVRIUKLED-UHFFFAOYSA-N 0 0 375.421 3.484 50 0 biogenic GGAARN CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(Cc3ccc(F)cc3)CC(=O)N21 ZINC000002114841 570952620 /nfs/dbraw/zinc/95/26/20/570952620.db2.gz QJRYZAPQTDIOQS-IBGZPJMESA-N 0 0 391.446 3.338 50 0 biogenic GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4cccc(F)c4C)c3CO2)cc1 ZINC000263615163 570952747 /nfs/dbraw/zinc/95/27/47/570952747.db2.gz AXTRHAFOBZGCKI-SFHVURJKSA-N 0 0 382.395 3.258 50 0 GGAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)NCCc1c[nH]c2ccccc12 ZINC000002117624 570952958 /nfs/dbraw/zinc/95/29/58/570952958.db2.gz PELUZSHXALNHDP-UHFFFAOYSA-N 0 0 397.431 3.336 50 0 biogenic GGAARN COc1ccc([C@@H]2Cn3cnc(-c4nc(-c5cccnc5)no4)c3CO2)cc1 ZINC000263615231 570952952 /nfs/dbraw/zinc/95/29/52/570952952.db2.gz BHRDQIZOAUBCPW-KRWDZBQOSA-N 0 0 375.388 3.275 50 0 GGAARN O=C(NCc1cccs1)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 ZINC000263615520 570953036 /nfs/dbraw/zinc/95/30/36/570953036.db2.gz CUNZKPLCWXLVRR-HNNXBMFYSA-N 0 0 395.532 3.202 50 0 GGAARN CCc1ccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000263615709 570953372 /nfs/dbraw/zinc/95/33/72/570953372.db2.gz DTLZKUMNJDUJSP-FQEVSTJZSA-N 0 0 392.459 3.051 50 0 GGAARN O=C(Nc1ccccc1C(F)(F)F)C1=C(c2ccccc2)S(=O)(=O)CCO1 ZINC000032071571 570953386 /nfs/dbraw/zinc/95/33/86/570953386.db2.gz HFFOCXASARGLCD-UHFFFAOYSA-N 0 0 397.374 3.458 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc(F)c(C)c4)c3CO2)cc1 ZINC000263615626 570953436 /nfs/dbraw/zinc/95/34/36/570953436.db2.gz DHWQKOYWSFGONV-SFHVURJKSA-N 0 0 382.395 3.258 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4cc(F)ccc4F)c3CO2)cc1 ZINC000263615815 570953534 /nfs/dbraw/zinc/95/35/34/570953534.db2.gz FHWRXYILDHHDAT-KRWDZBQOSA-N 0 0 386.358 3.089 50 0 GGAARN O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1ccc(F)c(F)c1 ZINC000263616823 570954211 /nfs/dbraw/zinc/95/42/11/570954211.db2.gz KSTCRHPOVPVNFM-UHFFFAOYSA-N 0 0 385.345 3.121 50 0 GGAARN Cc1ccc([C@@H]2Cn3nnc(C(=O)NCc4ccc(F)cc4F)c3CO2)cc1 ZINC000263616881 570954352 /nfs/dbraw/zinc/95/43/52/570954352.db2.gz LAHZYWYOAQOKKS-SFHVURJKSA-N 0 0 384.386 3.066 50 0 GGAARN COc1ccc([C@H]2Cn3nc(-c4nc(-c5cccnc5)no4)cc3CO2)cc1 ZINC000263616471 570954387 /nfs/dbraw/zinc/95/43/87/570954387.db2.gz IWRYFNCMGFZEAG-GOSISDBHSA-N 0 0 375.388 3.275 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4cccc(C)c4C)c3CO2)cc1 ZINC000263617023 570954405 /nfs/dbraw/zinc/95/44/05/570954405.db2.gz LSLKAMHXQYRKFL-IBGZPJMESA-N 0 0 378.432 3.427 50 0 GGAARN Cc1ccc([C@H]2Cn3nnc(C(=O)NCc4ccc(F)cc4F)c3CO2)cc1 ZINC000263616880 570954427 /nfs/dbraw/zinc/95/44/27/570954427.db2.gz LAHZYWYOAQOKKS-GOSISDBHSA-N 0 0 384.386 3.066 50 0 GGAARN O=c1c2c(CO)c(-c3ccc(F)cc3)nn2ccn1Cc1cc(F)cc(F)c1 ZINC000263616088 570954433 /nfs/dbraw/zinc/95/44/33/570954433.db2.gz GYBASSHYTWOBKY-UHFFFAOYSA-N 0 0 385.345 3.121 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4cccc(C)c4C)c3CO2)cc1 ZINC000263617024 570954447 /nfs/dbraw/zinc/95/44/47/570954447.db2.gz LSLKAMHXQYRKFL-LJQANCHMSA-N 0 0 378.432 3.427 50 0 GGAARN COc1ccc([C@H](O)Cn2ccn3nc(-c4ccccc4C)cc3c2=O)cc1 ZINC000263616711 570954484 /nfs/dbraw/zinc/95/44/84/570954484.db2.gz KEDAYGUTCLKAJJ-OAQYLSRUSA-N 0 0 375.428 3.214 50 0 GGAARN CCC(CC)c1nc(CN2C3=C(C(=O)OC3)[C@H](c3cccs3)NC2=O)no1 ZINC000263618462 570954588 /nfs/dbraw/zinc/95/45/88/570954588.db2.gz TXEPUXANERSADG-HNNXBMFYSA-N 0 0 388.449 3.112 50 0 GGAARN O=C(NCCCc1ccccc1)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 ZINC000263617840 570954613 /nfs/dbraw/zinc/95/46/13/570954613.db2.gz PZKBFEBLOOYXNE-IBGZPJMESA-N 0 0 380.423 3.051 50 0 GGAARN CCN(Cc1ccccc1)C(=O)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 ZINC000263617964 570954658 /nfs/dbraw/zinc/95/46/58/570954658.db2.gz QQGIZPCREIHDOZ-IBGZPJMESA-N 0 0 380.423 3.351 50 0 GGAARN COc1cccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc(C)cc4)ccn3n2)c1 ZINC000263617248 570954677 /nfs/dbraw/zinc/95/46/77/570954677.db2.gz MWNQIZGPFWFJPR-OAQYLSRUSA-N 0 0 375.428 3.214 50 0 GGAARN COc1ccc(-c2cc3n(n2)[C@@H](NCc2ccc(Cl)cc2)CNC3=O)cc1 ZINC000263617921 570954732 /nfs/dbraw/zinc/95/47/32/570954732.db2.gz QKOKKBNJDAXHJU-LJQANCHMSA-N 0 0 382.851 3.244 50 0 GGAARN CCOc1ccccc1CNC(=O)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 ZINC000263617076 570954802 /nfs/dbraw/zinc/95/48/02/570954802.db2.gz LYJUSPMRZAGUNV-LJQANCHMSA-N 0 0 396.422 3.017 50 0 GGAARN CCOc1ccccc1NC(=O)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 ZINC000263617332 570954835 /nfs/dbraw/zinc/95/48/35/570954835.db2.gz NFTDKIHLPJTKJQ-GOSISDBHSA-N 0 0 382.395 3.340 50 0 GGAARN CCOc1cccc(CN[C@@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)c1 ZINC000263617364 570954845 /nfs/dbraw/zinc/95/48/45/570954845.db2.gz NJWSWPXIXNKHKX-FQEVSTJZSA-N 0 0 380.423 3.120 50 0 GGAARN CCc1ccc(NC(=O)[C@H](NC(=O)[C@H]2Cc3ccccc3CN2)[C@H](C)CC)cc1 ZINC000252347024 570954901 /nfs/dbraw/zinc/95/49/01/570954901.db2.gz SEICFKQJPDFDPF-NPFVIJTESA-N 0 0 393.531 3.433 50 0 GGAARN O=C(c1ccc2ccccc2n1)N1CCc2nn(Cc3ccccc3)c(=O)cc2C1 ZINC000263619258 570955012 /nfs/dbraw/zinc/95/50/12/570955012.db2.gz XSXYCWKUPJGVJI-UHFFFAOYSA-N 0 0 396.450 3.038 50 0 GGAARN COc1ccc(-c2cc3n(n2)[C@H](NCc2ccc(SC)cc2)CNC3=O)cc1 ZINC000263618615 570955063 /nfs/dbraw/zinc/95/50/63/570955063.db2.gz UQLSEGLZXBNOCI-FQEVSTJZSA-N 0 0 394.500 3.312 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(C)cc4C)c3CO2)cc1 ZINC000263619006 570955092 /nfs/dbraw/zinc/95/50/92/570955092.db2.gz WLRYOZCJZLKHRT-LJQANCHMSA-N 0 0 378.432 3.427 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc(F)cc4C)c3CO2)cc1 ZINC000263619209 570955098 /nfs/dbraw/zinc/95/50/98/570955098.db2.gz XLRHBQVZHYIQTH-SFHVURJKSA-N 0 0 382.395 3.258 50 0 GGAARN O=c1c2c(CO)c(-c3cccc(F)c3)nn2ccn1Cc1ccc(F)cc1F ZINC000263619234 570955171 /nfs/dbraw/zinc/95/51/71/570955171.db2.gz XOTFDWJNBOATDA-UHFFFAOYSA-N 0 0 385.345 3.121 50 0 GGAARN Cc1ccc(-c2cc3n(n2)[C@@H](NCc2cc(F)cc(F)c2)CNC3=O)c(C)c1 ZINC000263618688 570955214 /nfs/dbraw/zinc/95/52/14/570955214.db2.gz UZKINLHVMCMAIM-HXUWFJFHSA-N 0 0 382.414 3.477 50 0 GGAARN CCOc1ccccc1NC(=O)c1nnn2c1CO[C@H](c1ccc(OC)cc1)C2 ZINC000263619216 570955230 /nfs/dbraw/zinc/95/52/30/570955230.db2.gz XMVZYOKLMCJNDC-IBGZPJMESA-N 0 0 394.431 3.209 50 0 GGAARN CCOc1ccc(-c2cc3c(=O)n(C[C@H](O)c4ccccc4)ccn3n2)cc1 ZINC000263618233 570955517 /nfs/dbraw/zinc/95/55/17/570955517.db2.gz RVSLUKJDNVGHRM-NRFANRHFSA-N 0 0 375.428 3.295 50 0 GGAARN COc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccccn5)no4)c3CO2)cc1 ZINC000263619392 570955595 /nfs/dbraw/zinc/95/55/95/570955595.db2.gz YNKZEEKPPSYCJM-QGZVFWFLSA-N 0 0 375.388 3.275 50 0 GGAARN CCOC1CCN(C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1 ZINC000194578445 570956335 /nfs/dbraw/zinc/95/63/35/570956335.db2.gz SATQGMBYJLMVMG-UHFFFAOYSA-N 0 0 391.471 3.335 50 0 GGAARN O=C1N[C@H](c2ccc(Cl)cc2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000001295761 570956278 /nfs/dbraw/zinc/95/62/78/570956278.db2.gz VHPRPHVOYMJCDB-JJRVBVJISA-N 0 0 398.768 3.444 50 0 GGAARN Cc1nnc(CN(C)c2ccc(-c3nc(COc4ccccc4)no3)cn2)o1 ZINC000019112991 570956539 /nfs/dbraw/zinc/95/65/39/570956539.db2.gz TXRISZZQSMYAIY-UHFFFAOYSA-N 0 0 378.392 3.038 50 0 GGAARN COc1ccccc1-n1c(=O)c2c3c(sc2nc1SC[C@@H](C)O)CCC3 ZINC000001306276 570956795 /nfs/dbraw/zinc/95/67/95/570956795.db2.gz UKVCRXYTKVPVIS-LLVKDONJSA-N 0 0 388.514 3.417 50 0 GGAARN CCOCCCNC(=O)C1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000033290421 570958217 /nfs/dbraw/zinc/95/82/17/570958217.db2.gz FQLSCSUBPKTTOF-UHFFFAOYSA-N 0 0 382.464 3.135 50 0 GGAARN O=C(NCc1ccncc1)C1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000033290433 570958241 /nfs/dbraw/zinc/95/82/41/570958241.db2.gz MDCYYOSOMQLIHN-UHFFFAOYSA-N 0 0 387.443 3.304 50 0 GGAARN Cc1ocnc1C(=O)N1CCC[C@H]1c1ccc(C(=O)Nc2ccnn2C)s1 ZINC000019146563 570959386 /nfs/dbraw/zinc/95/93/86/570959386.db2.gz NXWWJPIWVHAMFN-LBPRGKRZSA-N 0 0 385.449 3.008 50 0 GGAARN CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)Cc2ccc(F)cc2)n1 ZINC000012126343 570959633 /nfs/dbraw/zinc/95/96/33/570959633.db2.gz VNXMAOXIVFXEPQ-UHFFFAOYSA-N 0 0 395.438 3.277 50 0 GGAARN Cc1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2cc3ccccc3o2)n1 ZINC000012123633 570959653 /nfs/dbraw/zinc/95/96/53/570959653.db2.gz FXGKXMHKUNMFOV-UHFFFAOYSA-N 0 0 375.388 3.140 50 0 GGAARN COc1ccc(Cl)cc1C(=O)Nc1cc(C2CC2)nn1-c1nc(C)cc(=O)[nH]1 ZINC000012123276 570959791 /nfs/dbraw/zinc/95/97/91/570959791.db2.gz QKHNAWUSHOAPAZ-UHFFFAOYSA-N 0 0 399.838 3.056 50 0 GGAARN CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c1 ZINC000032103301 570960174 /nfs/dbraw/zinc/96/01/74/570960174.db2.gz KTSATHUIOGPJRB-UHFFFAOYSA-N 0 0 379.416 3.149 50 0 GGAARN COc1ccc2cnn(CC(=O)Nc3ccccc3C(C)C)c(=O)c2c1OC ZINC000032103275 570960223 /nfs/dbraw/zinc/96/02/23/570960223.db2.gz IHNGYZPXALVFBG-UHFFFAOYSA-N 0 0 381.432 3.176 50 0 GGAARN CCc1c(C)nc(-n2nc(C3CC3)cc2NC(=O)CCc2ccccc2)[nH]c1=O ZINC000012128063 570960270 /nfs/dbraw/zinc/96/02/70/570960270.db2.gz OXEBXHMGVKEUQW-UHFFFAOYSA-N 0 0 391.475 3.275 50 0 GGAARN COc1ccccc1NC(=O)[C@H]1CC(=O)Nc2c(C)c(-c3ccccc3)nn21 ZINC000032103923 570960532 /nfs/dbraw/zinc/96/05/32/570960532.db2.gz ISQXDICRCZBNQM-MRXNPFEDSA-N 0 0 376.416 3.389 50 0 GGAARN Cn1ncc2c1nc(NCc1ccccc1)nc2N1CCN(c2ccccc2)CC1 ZINC000032104241 570960588 /nfs/dbraw/zinc/96/05/88/570960588.db2.gz MTXQAJUDRNGBSF-UHFFFAOYSA-N 0 0 399.502 3.302 50 0 GGAARN COc1cccc(COc2cn(C)c(C(=O)N[C@@H](C)c3ccccc3)cc2=O)c1 ZINC000012167575 570960584 /nfs/dbraw/zinc/96/05/84/570960584.db2.gz ATYPJAVSMFTKFG-INIZCTEOSA-N 0 0 392.455 3.464 50 0 GGAARN CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)NC4CCCCCC4)C3)nn21 ZINC000032106193 570960817 /nfs/dbraw/zinc/96/08/17/570960817.db2.gz NBCSRJKCWGSCFY-MRXNPFEDSA-N 0 0 384.528 3.303 50 0 GGAARN CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)NC4CCCCCC4)C3)nn21 ZINC000032106196 570960889 /nfs/dbraw/zinc/96/08/89/570960889.db2.gz NBCSRJKCWGSCFY-INIZCTEOSA-N 0 0 384.528 3.303 50 0 GGAARN NS(=O)(=O)c1ccc(NC(=O)N2CC3(CCCC3)c3c2cccc3F)cc1 ZINC000195020708 570961074 /nfs/dbraw/zinc/96/10/74/570961074.db2.gz YNKZZAGXOACEPQ-UHFFFAOYSA-N 0 0 389.452 3.337 50 0 GGAARN O=C(c1cc2ccccc2o1)N(CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000004749873 570961585 /nfs/dbraw/zinc/96/15/85/570961585.db2.gz COGTXFHJIXTLBJ-SFHVURJKSA-N 0 0 383.469 3.305 50 0 GGAARN COC(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)c3ccccc3OC)C2)c1 ZINC000015063897 570961742 /nfs/dbraw/zinc/96/17/42/570961742.db2.gz IIEMWEXOBBKMRB-KRWDZBQOSA-N 0 0 381.428 3.217 50 0 GGAARN O=C(c1cc2ccccc2o1)N(CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000004749872 570961683 /nfs/dbraw/zinc/96/16/83/570961683.db2.gz COGTXFHJIXTLBJ-GOSISDBHSA-N 0 0 383.469 3.305 50 0 GGAARN Cc1cc(NC(=O)Cn2ccc(-c3cc(C)oc3C)n2)n(-c2ccccn2)n1 ZINC000019222804 570963278 /nfs/dbraw/zinc/96/32/78/570963278.db2.gz ZGBQLAPCSXOTFF-UHFFFAOYSA-N 0 0 376.420 3.288 50 0 GGAARN O=C(Nc1cc[nH]n1)c1ccc([C@H]2CCCN2C(=O)c2ccncc2F)s1 ZINC000019229009 570964443 /nfs/dbraw/zinc/96/44/43/570964443.db2.gz SWPVZLGUTWCWDV-CYBMUJFWSA-N 0 0 385.424 3.235 50 0 GGAARN COc1cccc(-c2noc(-c3nn(-c4ccc(C)cc4)ccc3=O)n2)c1OC ZINC000033300372 570964862 /nfs/dbraw/zinc/96/48/62/570964862.db2.gz AIYBOBPGIBJBSD-UHFFFAOYSA-N 0 0 390.399 3.275 50 0 GGAARN O=C(Cn1cnc2c(-c3ccc(F)cc3)nsc2c1=O)NC1CCCCC1 ZINC000033300090 570964977 /nfs/dbraw/zinc/96/49/77/570964977.db2.gz BBEJTSQQJNPGMD-UHFFFAOYSA-N 0 0 386.452 3.108 50 0 GGAARN CCOc1ccc(C(=O)C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000004118497 570966402 /nfs/dbraw/zinc/96/64/02/570966402.db2.gz ZMGSRYQIEZRBTB-FQEVSTJZSA-N 0 0 380.444 3.425 50 0 GGAARN COc1cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nc(C)n1 ZINC000012226125 570968166 /nfs/dbraw/zinc/96/81/66/570968166.db2.gz DZOPDCXXYXXWOJ-UHFFFAOYSA-N 0 0 388.424 3.477 50 0 GGAARN CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1 ZINC000004164341 570968583 /nfs/dbraw/zinc/96/85/83/570968583.db2.gz QYCHGRUVGDFIOK-UHFFFAOYSA-N 0 0 390.852 3.059 50 0 GGAARN CCOc1ccc(N(C(=O)Cc2cccc(C)c2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000004165345 570968980 /nfs/dbraw/zinc/96/89/80/570968980.db2.gz AYIKJBOKRKXDHU-IBGZPJMESA-N 0 0 385.485 3.280 50 0 GGAARN O=C(NCc1ccc([C@H](O)c2ccccc2)s1)C(=O)Nc1ccc(F)cc1 ZINC000211090986 570969126 /nfs/dbraw/zinc/96/91/26/570969126.db2.gz JBBACKKKIHASEC-GOSISDBHSA-N 0 0 384.432 3.224 50 0 GGAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)Nc2cccc(Cl)c2)c3=O)cc1 ZINC000004165802 570969390 /nfs/dbraw/zinc/96/93/90/570969390.db2.gz RYUJIGROHXFBFO-UHFFFAOYSA-N 0 0 393.834 3.183 50 0 GGAARN CC(C)(C)n1ncc2c1ncn(CC(=O)Nc1cccc3ccccc31)c2=O ZINC000004166207 570969456 /nfs/dbraw/zinc/96/94/56/570969456.db2.gz JHDGTMKFGPHALU-UHFFFAOYSA-N 0 0 375.432 3.140 50 0 GGAARN O=C(CSc1ncnc2c1nnn2Cc1ccccc1)Nc1ccccc1 ZINC000004166296 570969757 /nfs/dbraw/zinc/96/97/57/570969757.db2.gz VSAQWGSMZKMFJR-UHFFFAOYSA-N 0 0 376.445 3.000 50 0 GGAARN O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)OCc1ccccc1 ZINC000004166725 570970149 /nfs/dbraw/zinc/97/01/49/570970149.db2.gz JRZVYBYYCBFXKH-UHFFFAOYSA-N 0 0 395.419 3.185 50 0 GGAARN O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)Nc1cccc(F)c1 ZINC000004166676 570970183 /nfs/dbraw/zinc/97/01/83/570970183.db2.gz VDFYXFHRMXUFFA-UHFFFAOYSA-N 0 0 398.398 3.220 50 0 GGAARN Cc1cnc2c(c1Nc1ccc(Nc3ccccc3)cc1)c(=O)n(C)c(=O)n2C ZINC000012226890 570970339 /nfs/dbraw/zinc/97/03/39/570970339.db2.gz NPWLKRQAIGOLFK-UHFFFAOYSA-N 0 0 387.443 3.428 50 0 GGAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)CNC(=O)OC(C)(C)C)c12 ZINC000002147240 570971629 /nfs/dbraw/zinc/97/16/29/570971629.db2.gz HFFUGYUHWXYRGJ-UHFFFAOYSA-N 0 0 375.421 3.484 50 0 biogenic GGAARN CCCc1cc(=O)oc2c(C)c(OC(=O)CNC(=O)OC(C)(C)C)ccc12 ZINC000002148045 570972279 /nfs/dbraw/zinc/97/22/79/570972279.db2.gz XXPREADESNSQEN-UHFFFAOYSA-N 0 0 375.421 3.484 50 0 biogenic GGAARN O=C(Nc1cccc(F)c1)c1cc(-c2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000012229863 570972531 /nfs/dbraw/zinc/97/25/31/570972531.db2.gz NPONZUJWESMMSL-QGZVFWFLSA-N 0 0 399.447 3.301 50 0 GGAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)CNC(=O)OCc3ccccc3)c12 ZINC000002152125 570973102 /nfs/dbraw/zinc/97/31/02/570973102.db2.gz XKESFUGVNIDPJD-UHFFFAOYSA-N 0 0 395.411 3.496 50 0 biogenic GGAARN O=C(NCC1(c2cccc(F)c2)CCCC1)[C@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000019293638 570973214 /nfs/dbraw/zinc/97/32/14/570973214.db2.gz LTXQHJVVKVSLOE-SFHVURJKSA-N 0 0 395.478 3.197 50 0 GGAARN CCOc1ccc2nc(NC3=NCN(CCc4ccccc4)CN3)nc(C)c2c1 ZINC000019322425 570974471 /nfs/dbraw/zinc/97/44/71/570974471.db2.gz SBAGFMVDSQZDSJ-UHFFFAOYSA-N 0 0 390.491 3.168 50 0 GGAARN COc1ccccc1CN1CN=C(Nc2nc(C)c3ccc(C)cc3n2)NC1 ZINC000019331299 570975143 /nfs/dbraw/zinc/97/51/43/570975143.db2.gz RZJPJZLKHFZWCX-UHFFFAOYSA-N 0 0 376.464 3.044 50 0 GGAARN O=C(CCS(=O)(=O)c1ccccc1)NC[C@H](c1ccco1)c1cccs1 ZINC000585146687 570975787 /nfs/dbraw/zinc/97/57/87/570975787.db2.gz CELGXFNTKHMHHG-MRXNPFEDSA-N 0 0 389.498 3.453 50 0 GGAARN CCOc1ccccc1CN1CCN(Cc2cccc(C(C)=O)c2)C[C@@H]1CCO ZINC000019335227 570976156 /nfs/dbraw/zinc/97/61/56/570976156.db2.gz SIPZTGCMVYJFSR-QHCPKHFHSA-N 0 0 396.531 3.357 50 0 GGAARN CC(C)CS(=O)(=O)[C@H]1CCCN(C(=O)CCCC(=O)c2ccccc2)C1 ZINC000585146937 570976687 /nfs/dbraw/zinc/97/66/87/570976687.db2.gz SXOAGCLDPVCPHW-SFHVURJKSA-N 0 0 379.522 3.101 50 0 GGAARN Cc1cc(C)nc(O[C@@H]2CCCN(C(=O)C3(c4ccccc4)CCOCC3)C2)n1 ZINC000585147231 570976717 /nfs/dbraw/zinc/97/67/17/570976717.db2.gz CKBSSSPDKXFRBD-HXUWFJFHSA-N 0 0 395.503 3.212 50 0 GGAARN CCOC(=O)NC(NCCc1ccc(OC)cc1)(C(F)(F)F)C(F)(F)F ZINC000019340415 570977038 /nfs/dbraw/zinc/97/70/38/570977038.db2.gz FMOJXSYHDMGELY-UHFFFAOYSA-N 0 0 388.308 3.394 50 0 GGAARN Cc1cc(C)nc(O[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)n1 ZINC000585147272 570977188 /nfs/dbraw/zinc/97/71/88/570977188.db2.gz LWRBLZLWFLFAIL-GFCCVEGCSA-N 0 0 387.914 3.040 50 0 GGAARN Cc1cc(O[C@H]2CCN(C(=O)c3ccccc3OC(F)(F)F)C2)nc(C)n1 ZINC000585147467 570977475 /nfs/dbraw/zinc/97/74/75/570977475.db2.gz QNJNJZVCEQDPBK-ZDUSSCGKSA-N 0 0 381.354 3.286 50 0 GGAARN O=C(NCc1ccccc1OC(F)(F)F)c1ccc(OC2CCOCC2)nc1 ZINC000252507430 570978187 /nfs/dbraw/zinc/97/81/87/570978187.db2.gz WLNGCBSFBBGBRQ-UHFFFAOYSA-N 0 0 396.365 3.468 50 0 GGAARN COc1ccc(Cl)cc1C(=O)OCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000044836761 570978674 /nfs/dbraw/zinc/97/86/74/570978674.db2.gz AHDVMPSXVUJNCI-UHFFFAOYSA-N 0 0 388.763 3.484 50 0 GGAARN O=C(COc1ccccc1-c1noc(-c2cccc(Cl)c2)n1)N1CCOCC1 ZINC000033325120 570979503 /nfs/dbraw/zinc/97/95/03/570979503.db2.gz QWSBCDFZASJMPU-UHFFFAOYSA-N 0 0 399.834 3.295 50 0 GGAARN CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000044841610 570979798 /nfs/dbraw/zinc/97/97/98/570979798.db2.gz WPKKHTJBAMBICU-UHFFFAOYSA-N 0 0 396.443 3.119 50 0 GGAARN COc1cccc(CNC(=O)c2cnc(-c3ccccn3)nc2C(F)(F)F)c1 ZINC000001399562 570979878 /nfs/dbraw/zinc/97/98/78/570979878.db2.gz GQAIHPSZPUPSPF-UHFFFAOYSA-N 0 0 388.349 3.496 50 0 GGAARN Cc1ccc(-c2cc(C(=O)NC(C)(C)C)nn2[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000033325778 570980068 /nfs/dbraw/zinc/98/00/68/570980068.db2.gz JJNGUHHMDTXAGK-MRXNPFEDSA-N 0 0 389.521 3.055 50 0 GGAARN COc1ccccc1S(=O)(=O)NC[C@H](O)c1ccc(-c2cccs2)s1 ZINC000585147829 570980890 /nfs/dbraw/zinc/98/08/90/570980890.db2.gz AODUCXQGNZGLEJ-LBPRGKRZSA-N 0 0 395.527 3.497 50 0 GGAARN COC(=O)c1ccc(N2CCN(c3ccccc3)CC2)c(NC(=O)C2CC2)c1 ZINC000001396177 570980933 /nfs/dbraw/zinc/98/09/33/570980933.db2.gz UDLWAUDEUZNFDS-UHFFFAOYSA-N 0 0 379.460 3.148 50 0 GGAARN COc1ccc(Cn2cccc(C(=O)Nc3cc(OC)ccc3OC)c2=O)cc1 ZINC000001397103 570980975 /nfs/dbraw/zinc/98/09/75/570980975.db2.gz FCTFXIGJQBRZNP-UHFFFAOYSA-N 0 0 394.427 3.175 50 0 GGAARN O=C(N1CCOCC1)N1c2ccccc2C[C@@H](N2CCOCC2)c2ccccc21 ZINC000019375166 570982075 /nfs/dbraw/zinc/98/20/75/570982075.db2.gz JHUJWKJQQBFNPJ-JOCHJYFZSA-N 0 0 393.487 3.206 50 0 biogenic GGAARN O=C(Cc1cccc2ccccc21)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019376365 570982255 /nfs/dbraw/zinc/98/22/55/570982255.db2.gz ZPMFNOYTZJVIHH-UHFFFAOYSA-N 0 0 388.467 3.455 50 0 GGAARN CCn1cc(S(=O)(=O)c2ccc(OC)cc2)c(=O)c2cc(F)c(F)cc21 ZINC000585148588 570982308 /nfs/dbraw/zinc/98/23/08/570982308.db2.gz IKAVEOQSBBCWBY-UHFFFAOYSA-N 0 0 379.384 3.141 50 0 GGAARN CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)cc2OC)NC3=O)cc1 ZINC000001404763 570982781 /nfs/dbraw/zinc/98/27/81/570982781.db2.gz SAJBBNJCHDNKNN-IBGZPJMESA-N 0 0 379.416 3.325 50 0 GGAARN CC1CCN(S(=O)(=O)c2cc(C(=O)Nc3cccc(O)c3)ccc2F)CC1 ZINC000016624239 570984726 /nfs/dbraw/zinc/98/47/26/570984726.db2.gz STGOKTBJCGRZQS-UHFFFAOYSA-N 0 0 392.452 3.204 50 0 GGAARN CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000016626740 570987010 /nfs/dbraw/zinc/98/70/10/570987010.db2.gz LVHNYJDBCQMSIP-UHFFFAOYSA-N 0 0 390.358 3.347 50 0 GGAARN CC(C)C[C@@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2[nH]1 ZINC000045139427 570987907 /nfs/dbraw/zinc/98/79/07/570987907.db2.gz XXOUZYQLGTXVAC-VQIMIIECSA-N 0 0 392.507 3.473 50 0 GGAARN CC(C)C[C@@H](NC(=O)[C@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2[nH]1 ZINC000045139431 570988004 /nfs/dbraw/zinc/98/80/04/570988004.db2.gz XXOUZYQLGTXVAC-QFBILLFUSA-N 0 0 392.507 3.473 50 0 GGAARN COc1ccccc1N1CCN(C[C@@H](O)COc2ccc(Cl)c(C)c2)CC1 ZINC000023224663 570988093 /nfs/dbraw/zinc/98/80/93/570988093.db2.gz JJFYSIVQHGTSDO-QGZVFWFLSA-N 0 0 390.911 3.219 50 0 GGAARN O=C(CSc1nc2c3ccccc3ncn2n1)NCc1cccc(Cl)c1 ZINC000585157932 570989406 /nfs/dbraw/zinc/98/94/06/570989406.db2.gz OZKNAXHKWVYPNI-UHFFFAOYSA-N 0 0 383.864 3.339 50 0 GGAARN COCCn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC000008786679 570991651 /nfs/dbraw/zinc/99/16/51/570991651.db2.gz NUWQURFZJPSRKG-QGZVFWFLSA-N 0 0 379.460 3.207 50 0 GGAARN CN(C)S(=O)(=O)c1csc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000016650049 570994271 /nfs/dbraw/zinc/99/42/71/570994271.db2.gz NFMIJMPTNKQEEN-UHFFFAOYSA-N 0 0 392.546 3.093 50 0 GGAARN CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000016652385 570995109 /nfs/dbraw/zinc/99/51/09/570995109.db2.gz UEWVDKHBBRXXOP-UHFFFAOYSA-N 0 0 390.358 3.347 50 0 GGAARN COc1cc(-c2noc(CCCC(=O)NC3CCCC3)n2)cc(OC)c1OC ZINC000002194927 570996444 /nfs/dbraw/zinc/99/64/44/570996444.db2.gz AGQNIXHDYROHOJ-UHFFFAOYSA-N 0 0 389.452 3.144 50 0 GGAARN CCOc1cc(CN2CCN(C(=O)c3cccc(OC)c3)CC2)ccc1OC ZINC000019532045 570999253 /nfs/dbraw/zinc/99/92/53/570999253.db2.gz YKVOQWMOAZERGD-UHFFFAOYSA-N 0 0 384.476 3.061 50 0 GGAARN COc1ccc(CCN2C(=O)O[C@](C)(Cc3ccccc3)[C@]2(C)O)cc1OC ZINC000001422378 570999341 /nfs/dbraw/zinc/99/93/41/570999341.db2.gz XHHJMNJIBCFJKN-YADHBBJMSA-N 0 0 385.460 3.408 50 0 GGAARN COc1cc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1O ZINC000019549424 571000211 /nfs/dbraw/zinc/00/02/11/571000211.db2.gz CQWCBHPUQSNSKZ-UHFFFAOYSA-N 0 0 376.884 3.381 50 0 GGAARN CC1(C)Cc2nc3oc4c(ncnc4SCC(=O)N4CCCC4)c3cc2CO1 ZINC000002202140 571000998 /nfs/dbraw/zinc/00/09/98/571000998.db2.gz BZYYXCGRGCTBAH-UHFFFAOYSA-N 0 0 398.488 3.337 50 0 GGAARN O=C(CCc1ccsc1)N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 ZINC000091255380 571001610 /nfs/dbraw/zinc/00/16/10/571001610.db2.gz QMFZUJYQCBCQNA-SFHVURJKSA-N 0 0 390.549 3.091 50 0 GGAARN O=C1CCC(c2ccccc2)(c2ccccc2)CN1CCCN1CCOCC1 ZINC000091255291 571001667 /nfs/dbraw/zinc/00/16/67/571001667.db2.gz PYGWEAIDDKBBEN-UHFFFAOYSA-N 0 0 378.516 3.317 50 0 GGAARN Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(OC(C)C)cc4)C3)n2)nn1 ZINC000091270037 571001670 /nfs/dbraw/zinc/00/16/70/571001670.db2.gz UJLRDDAQFAJHKK-CQSZACIVSA-N 0 0 379.420 3.143 50 0 GGAARN CCOc1ccccc1CNC(=O)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000001428904 571001717 /nfs/dbraw/zinc/00/17/17/571001717.db2.gz 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ZINC000002274998 1398306378 /nfs/dbraw/zinc/30/63/78/1398306378.db2.gz XEIWFKURLXRCBD-UHFFFAOYSA-N 0 0 375.432 3.487 50 0 GGAARN Cc1cccc(NC(=S)NC(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)c1 ZINC000002284471 1398306561 /nfs/dbraw/zinc/30/65/61/1398306561.db2.gz NALZDWCMCIIKKD-OAHLLOKOSA-N 0 0 399.497 3.467 50 0 GGAARN CCOC(=O)c1c(N)n(-c2ccc3nsnc3c2)c2nc3ccccc3nc21 ZINC000002297539 1398306645 /nfs/dbraw/zinc/30/66/45/1398306645.db2.gz VCGUPXVNQLZVSN-UHFFFAOYSA-N 0 0 390.428 3.337 50 0 GGAARN COc1ccc(-c2noc(CCC(=O)NCCc3ccccc3)n2)cc1OC ZINC000002326676 1398307071 /nfs/dbraw/zinc/30/70/71/1398307071.db2.gz PADXGRCZJWYMDU-UHFFFAOYSA-N 0 0 381.432 3.045 50 0 GGAARN COc1ccccc1Cn1c(N)c(C(=O)NC2CC2)c2nc3ccccc3nc21 ZINC000002334791 1398307162 /nfs/dbraw/zinc/30/71/62/1398307162.db2.gz XILMHRYUXQUCSY-UHFFFAOYSA-N 0 0 387.443 3.116 50 0 GGAARN CCCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccc(OC)cc1 ZINC000002320810 1398307293 /nfs/dbraw/zinc/30/72/93/1398307293.db2.gz KUMQJMOERUHOEL-ZHZULCJRSA-N 0 0 391.471 3.484 50 0 GGAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccccc3)c(C)c2oc1=O ZINC000002324412 1398307305 /nfs/dbraw/zinc/30/73/05/1398307305.db2.gz AZVBKNLGUYYKCE-UHFFFAOYSA-N 0 0 380.396 3.387 50 0 GGAARN Cc1nc2sc3c(c2c2nc(C(=O)NCc4ccco4)nn21)CC(C)(C)OC3 ZINC000002327635 1398307474 /nfs/dbraw/zinc/30/74/74/1398307474.db2.gz UZCXJYIRZQFHNT-UHFFFAOYSA-N 0 0 397.460 3.022 50 0 GGAARN CCCCCn1c(N)c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc21 ZINC000002335798 1398307930 /nfs/dbraw/zinc/30/79/30/1398307930.db2.gz SPAXGNWVWIYNSN-CQSZACIVSA-N 0 0 381.480 3.266 50 0 GGAARN Nc1ccc2nc(SCC(=O)N3CCN(c4ccccc4)CC3)sc2c1 ZINC000002347326 1398308084 /nfs/dbraw/zinc/30/80/84/1398308084.db2.gz SMEGPSFNBFPBIT-UHFFFAOYSA-N 0 0 384.530 3.319 50 0 GGAARN Cc1nnc2c3ccccc3c(-c3ccc(C)c(S(=O)(=O)NC(C)C)c3)nn12 ZINC000002347721 1398308276 /nfs/dbraw/zinc/30/82/76/1398308276.db2.gz ZHMOIILEJFIHPU-UHFFFAOYSA-N 0 0 395.488 3.248 50 0 GGAARN COc1cc2c(cc1OC)-c1cc(Nc3ccc(N(C)C)cc3)nc(=O)n1CC2 ZINC000002337493 1398308409 /nfs/dbraw/zinc/30/84/09/1398308409.db2.gz ZIEOMMZLMLCPSJ-UHFFFAOYSA-N 0 0 392.459 3.293 50 0 biogenic GGAARN CCCc1nc2oc3c(ncnc3N(CC)CCO)c2c2c1COC(C)(C)C2 ZINC000002350312 1398308477 /nfs/dbraw/zinc/30/84/77/1398308477.db2.gz YMBUNFMFBOQDCT-UHFFFAOYSA-N 0 0 384.480 3.393 50 0 GGAARN COc1ccccc1OCCCCn1ncc2ccc(OC)c(OC)c2c1=O ZINC000002378235 1398308609 /nfs/dbraw/zinc/30/86/09/1398308609.db2.gz CFLCHSQBNMWGMU-UHFFFAOYSA-N 0 0 384.432 3.282 50 0 GGAARN Nn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1F ZINC000002379146 1398308708 /nfs/dbraw/zinc/30/87/08/1398308708.db2.gz PVGBSQGQNBMYTD-UHFFFAOYSA-N 0 0 395.822 3.321 50 0 GGAARN COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000002366063 1398308961 /nfs/dbraw/zinc/30/89/61/1398308961.db2.gz JFBXEXDZHRGQKW-UHFFFAOYSA-N 0 0 386.459 3.151 50 0 GGAARN COc1cccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2N)c1 ZINC000002376543 1398309055 /nfs/dbraw/zinc/30/90/55/1398309055.db2.gz VODKTURMUJSRAO-UHFFFAOYSA-N 0 0 383.477 3.015 50 0 GGAARN CCOc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2N)c1 ZINC000002375307 1398309122 /nfs/dbraw/zinc/30/91/22/1398309122.db2.gz MNNJFZJQIKHOOD-UHFFFAOYSA-N 0 0 397.504 3.405 50 0 GGAARN CC1(C)Cc2c(sc3c2c(NCCc2ccccc2)nc2nnnn23)CO1 ZINC000002379018 1398309187 /nfs/dbraw/zinc/30/91/87/1398309187.db2.gz LHQGRDGSQYZKJH-UHFFFAOYSA-N 0 0 380.477 3.240 50 0 GGAARN CCOC(=O)c1ccc(Nc2nc(-n3cc(C)cn3)ncc2C(=O)OCC)cc1 ZINC000002396263 1398309345 /nfs/dbraw/zinc/30/93/45/1398309345.db2.gz LLJAZVYMADXMFZ-UHFFFAOYSA-N 0 0 395.419 3.068 50 0 GGAARN COC(=O)CCCCCCCc1nc(CS(=O)(=O)c2ccc(F)cc2)no1 ZINC000002383532 1398309746 /nfs/dbraw/zinc/30/97/46/1398309746.db2.gz DJYDSZOBMLNZKB-UHFFFAOYSA-N 0 0 398.456 3.239 50 0 GGAARN Oc1ccc(-c2nc3c4cnn(-c5cccc(Cl)c5)c4ncn3n2)c(O)c1 ZINC000002408161 1398310161 /nfs/dbraw/zinc/31/01/61/1398310161.db2.gz WQHSDCQZDKQRET-UHFFFAOYSA-N 0 0 378.779 3.195 50 0 GGAARN Cc1cc(C)n(-c2nc3sc4c(c3c(N3CCOCC3)n2)CC(C)(C)OC4)n1 ZINC000002419395 1398310516 /nfs/dbraw/zinc/31/05/16/1398310516.db2.gz RDSWTAKBXKCVRP-UHFFFAOYSA-N 0 0 399.520 3.182 50 0 GGAARN COc1ccccc1C(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 ZINC000002406853 1398310711 /nfs/dbraw/zinc/31/07/11/1398310711.db2.gz PAHPXBVISATPGN-CQSZACIVSA-N 0 0 397.822 3.124 50 0 GGAARN Cc1ccc(-c2c3c(cn2-c2cc(C)cc(C)c2O)n(C)c(=O)n(C)c3=O)cc1 ZINC000002421197 1398310817 /nfs/dbraw/zinc/31/08/17/1398310817.db2.gz HPNABUPLDYNJRY-UHFFFAOYSA-N 0 0 389.455 3.326 50 0 GGAARN CCOc1ccc2nc(COC(=O)c3ccccc3C)c(C(C)=O)[n+]([O-])c2c1 ZINC000002451815 1398310945 /nfs/dbraw/zinc/31/09/45/1398310945.db2.gz UFIGKTLGGZCSNS-UHFFFAOYSA-N 0 0 380.400 3.135 50 0 GGAARN COc1ccc(OC)c(C(=O)C[C@]2(O)C(=O)Nc3cc(Cl)cc(Cl)c32)c1 ZINC000002427240 1398310958 /nfs/dbraw/zinc/31/09/58/1398310958.db2.gz OYQLDJISKLMYHC-GOSISDBHSA-N 0 0 396.226 3.423 50 0 GGAARN Cc1ccc([C@@H]2C[C@@H](c3ccccc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 ZINC000002424937 1398310984 /nfs/dbraw/zinc/31/09/84/1398310984.db2.gz BCWONZUNYJXFNA-ROUUACIJSA-N 0 0 387.443 3.386 50 0 GGAARN Nn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccc(F)cc1 ZINC000002438390 1398311068 /nfs/dbraw/zinc/31/10/68/1398311068.db2.gz NFPRROFWQGEKNA-UHFFFAOYSA-N 0 0 395.822 3.321 50 0 GGAARN O=C(OCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 ZINC000002425140 1398311196 /nfs/dbraw/zinc/31/11/96/1398311196.db2.gz WQZGTCCOWNMKLM-MDPIYQRISA-N 0 0 395.842 3.370 50 0 GGAARN Cc1ccc([C@H]2C[C@@H](c3ccccc3)n3nc(N4C(=O)CCC4=O)nc3N2)cc1 ZINC000002424936 1398311328 /nfs/dbraw/zinc/31/13/28/1398311328.db2.gz BCWONZUNYJXFNA-MSOLQXFVSA-N 0 0 387.443 3.386 50 0 GGAARN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1 ZINC000002456948 1398311469 /nfs/dbraw/zinc/31/14/69/1398311469.db2.gz ODKTYOCIKJQXIC-UHFFFAOYSA-N 0 0 398.444 3.024 50 0 GGAARN NC(=O)c1c2c(sc1NC(=O)c1cc(=O)c3ccccc3o1)CCCCC2 ZINC000002483622 1398311712 /nfs/dbraw/zinc/31/17/12/1398311712.db2.gz CDCIXDGZYPRCOS-UHFFFAOYSA-N 0 0 382.441 3.475 50 0 GGAARN COc1cccc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000002468191 1398312152 /nfs/dbraw/zinc/31/21/52/1398312152.db2.gz GTLVWSIPFSJORO-UHFFFAOYSA-N 0 0 397.456 3.383 50 0 GGAARN COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(Cl)cc1 ZINC000002503503 1398312615 /nfs/dbraw/zinc/31/26/15/1398312615.db2.gz DPEOONBDYKNYRL-INIZCTEOSA-N 0 0 394.880 3.180 50 0 GGAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCOCC3)o2)c1 ZINC000002501917 1398312967 /nfs/dbraw/zinc/31/29/67/1398312967.db2.gz QLVCDAROOORZKQ-UHFFFAOYSA-N 0 0 384.457 3.319 50 0 GGAARN O=C(NCCCc1ccccc1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000002645119 1398315652 /nfs/dbraw/zinc/31/56/52/1398315652.db2.gz DXPIGJUIJGDKEM-UHFFFAOYSA-N 0 0 375.472 3.486 50 0 biogenic GGAARN CCCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000002648476 1398315842 /nfs/dbraw/zinc/31/58/42/1398315842.db2.gz JDKQDJVJCADTIV-UHFFFAOYSA-N 0 0 378.469 3.246 50 0 GGAARN O=C(Cn1nnc2ccccc21)Nc1ccn(Cc2ccc(F)cc2Cl)n1 ZINC000002794268 1398318918 /nfs/dbraw/zinc/31/89/18/1398318918.db2.gz AUQRJTXKGYGYQR-UHFFFAOYSA-N 0 0 384.802 3.107 50 0 GGAARN CCSc1nnc(C(F)F)n1NC(=O)CCn1nc(C(F)(F)F)cc1C ZINC000002792736 1398319091 /nfs/dbraw/zinc/31/90/91/1398319091.db2.gz XYDJMUAXICYBIE-UHFFFAOYSA-N 0 0 398.361 3.012 50 0 GGAARN Cn1ncc2c3nc(-c4ccc(COCC(F)(F)C(F)F)cc4)nn3cnc21 ZINC000002800142 1398319498 /nfs/dbraw/zinc/31/94/98/1398319498.db2.gz INRYAUPLNVRLHW-UHFFFAOYSA-N 0 0 394.332 3.095 50 0 GGAARN CCn1ccc([C@@H](C)NC(=O)CCn2nc(C(F)(F)F)c(Cl)c2C)n1 ZINC000002802743 1398319525 /nfs/dbraw/zinc/31/95/25/1398319525.db2.gz CAHDATJJAJGUHQ-SECBINFHSA-N 0 0 377.798 3.348 50 0 GGAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=S)NCCCN1CCCC1=O ZINC000002803241 1398319619 /nfs/dbraw/zinc/31/96/19/1398319619.db2.gz BNRUWMIKNAAPFJ-UHFFFAOYSA-N 0 0 399.564 3.156 50 0 GGAARN CCn1ncc(S(=O)(=O)[N-]c2c(C)nn(Cc3ccccc3F)c2C)c1C ZINC000002804878 1398319711 /nfs/dbraw/zinc/31/97/11/1398319711.db2.gz XAQCTQIDSCKYAV-UHFFFAOYSA-N 0 0 391.472 3.013 50 0 GGAARN COc1ccccc1OCc1cccc(-c2nc3c4cnn(C)c4ncn3n2)c1 ZINC000002800333 1398319795 /nfs/dbraw/zinc/31/97/95/1398319795.db2.gz DCCMCYYVSHCNOE-UHFFFAOYSA-N 0 0 386.415 3.266 50 0 GGAARN CCn1cc(-c2ccnc3cc(C(=O)Nc4cc(F)ccc4F)nn32)c(C)n1 ZINC000002798961 1398319824 /nfs/dbraw/zinc/31/98/24/1398319824.db2.gz PLBHSEHZMVBIFZ-UHFFFAOYSA-N 0 0 382.374 3.452 50 0 GGAARN Cc1nn(CCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)c(C)c1Cl ZINC000002800573 1398319923 /nfs/dbraw/zinc/31/99/23/1398319923.db2.gz ZEUYVIFWDICJFQ-UHFFFAOYSA-N 0 0 392.854 3.173 50 0 GGAARN COc1ccc(NC(=O)CS[C@@H]2CC(=O)N(c3ccccc3C)C2=O)cc1 ZINC000002861957 1398320667 /nfs/dbraw/zinc/32/06/67/1398320667.db2.gz IONMOHKCAYLLPN-QGZVFWFLSA-N 0 0 384.457 3.007 50 0 GGAARN CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000002896500 1398321463 /nfs/dbraw/zinc/32/14/63/1398321463.db2.gz DUROCRPQEBWQSN-UHFFFAOYSA-N 0 0 384.432 3.136 50 0 GGAARN COc1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)c1 ZINC000003007763 1398324340 /nfs/dbraw/zinc/32/43/40/1398324340.db2.gz HCSARVPTUAVPLB-ZDUSSCGKSA-N 0 0 376.815 3.157 50 0 GGAARN C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1=O ZINC000003008219 1398324503 /nfs/dbraw/zinc/32/45/03/1398324503.db2.gz XNMDPTPJHKJXNA-MJGOQNOKSA-N 0 0 395.478 3.084 50 0 GGAARN CN(C)S(=O)(=O)Oc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000003052215 1398325695 /nfs/dbraw/zinc/32/56/95/1398325695.db2.gz BNYNOBGKCZIWSR-UHFFFAOYSA-N 0 0 388.367 3.143 50 0 GGAARN CN(C)S(=O)(=O)Oc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000003052341 1398325813 /nfs/dbraw/zinc/32/58/13/1398325813.db2.gz MJSXBPLKFDMWBA-UHFFFAOYSA-N 0 0 388.367 3.143 50 0 GGAARN Cc1cc(=O)oc2ccc(OC(=O)[C@H](C)NC(=O)OCc3ccccc3)cc12 ZINC000003069081 1398326590 /nfs/dbraw/zinc/32/65/90/1398326590.db2.gz PMNVLABJPBTACO-AWEZNQCLSA-N 0 0 381.384 3.322 50 0 GGAARN COc1ccc(/C=C/C(=O)OCC(=O)NCc2ccccc2Cl)cc1OC ZINC000003224863 1398329102 /nfs/dbraw/zinc/32/91/02/1398329102.db2.gz OXBWDWDDKIQFFG-CSKARUKUSA-N 0 0 389.835 3.230 50 0 GGAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCN(c2ccccc2)CC1 ZINC000003250546 1398330110 /nfs/dbraw/zinc/33/01/10/1398330110.db2.gz SORKHYRULMNRLK-UHFFFAOYSA-N 0 0 388.393 3.404 50 0 GGAARN Cc1oc2cc3oc(=O)c(CC(=O)NCCCn4ccnc4)c(C)c3cc2c1C ZINC000003985168 1398375798 /nfs/dbraw/zinc/37/57/98/1398375798.db2.gz ODUGGOJNUROOLO-UHFFFAOYSA-N 0 0 393.443 3.410 50 0 biogenic GGAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C ZINC000003931050 1398376157 /nfs/dbraw/zinc/37/61/57/1398376157.db2.gz YUWPMEXLKGOSBF-GACAOOTBSA-N 0 0 386.488 3.302 50 0 biogenic,investigational GGAARN COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000004033142 1398376595 /nfs/dbraw/zinc/37/65/95/1398376595.db2.gz WWOTVNQOIBNOSB-UHFFFAOYSA-N 0 0 388.383 3.386 50 0 GGAARN CCOc1ccc(CC(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000004032967 1398376603 /nfs/dbraw/zinc/37/66/03/1398376603.db2.gz BKLBRACTYAZJBD-UHFFFAOYSA-N 0 0 378.472 3.445 50 0 GGAARN COc1cccc(C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)c1OC ZINC000004032935 1398376771 /nfs/dbraw/zinc/37/67/71/1398376771.db2.gz NVZBCPIUCWQNLU-UHFFFAOYSA-N 0 0 380.444 3.135 50 0 GGAARN COc1ccc(CC(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000004032956 1398376896 /nfs/dbraw/zinc/37/68/96/1398376896.db2.gz AGVAEIVBPOGIBF-UHFFFAOYSA-N 0 0 394.471 3.064 50 0 GGAARN COc1cc(OC)cc(C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)c1 ZINC000004032896 1398376979 /nfs/dbraw/zinc/37/69/79/1398376979.db2.gz YXZZNEGFLOGWPY-UHFFFAOYSA-N 0 0 380.444 3.135 50 0 GGAARN COc1ccc(CN2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)cc1 ZINC000004041570 1398377474 /nfs/dbraw/zinc/37/74/74/1398377474.db2.gz QYPPKVGWGPMKII-QFIPXVFZSA-N 0 0 375.428 3.412 50 0 biogenic GGAARN CCc1ccc(N2C(=O)C(Cl)=C(Oc3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000004043323 1398377747 /nfs/dbraw/zinc/37/77/47/1398377747.db2.gz HFANHLHECSFNGM-UHFFFAOYSA-N 0 0 385.803 3.438 50 0 GGAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NC3CCCC3)C(C)(C)S[C@@H]21 ZINC000004073996 1398378523 /nfs/dbraw/zinc/37/85/23/1398378523.db2.gz FZERGOGCRZMSTP-APWZRJJASA-N 0 0 390.505 3.111 50 0 biogenic GGAARN C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000004085401 1398379253 /nfs/dbraw/zinc/37/92/53/1398379253.db2.gz NXHKTEWRXLFZBT-AWEZNQCLSA-N 0 0 376.412 3.401 50 0 biogenic GGAARN COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C(N)=O)CCN(C)C2 ZINC000004087109 1398379283 /nfs/dbraw/zinc/37/92/83/1398379283.db2.gz VCQDDSCZMYQQFD-UHFFFAOYSA-N 0 0 395.484 3.249 50 0 GGAARN COC(=O)[C@H](C)Oc1ccc2cc(-c3cc(OC)ccc3OC)c(=O)oc2c1 ZINC000004085679 1398379554 /nfs/dbraw/zinc/37/95/54/1398379554.db2.gz AFUITQINLPYCCU-LBPRGKRZSA-N 0 0 384.384 3.418 50 0 biogenic GGAARN CC1(C)CCc2c(cc(OCC(=O)NC3CC3)c3c4c(c(=O)oc23)CCC4)O1 ZINC000004089907 1398379795 /nfs/dbraw/zinc/37/97/95/1398379795.db2.gz GXXXWWDDXNEGFO-UHFFFAOYSA-N 0 0 383.444 3.043 50 0 biogenic GGAARN COc1cc2c(cc1OC)CN(C(=O)[C@H](NC(=O)c1ccccc1)C(C)C)CC2 ZINC000004089812 1398380090 /nfs/dbraw/zinc/38/00/90/1398380090.db2.gz WTYPTXUWHKPHLS-OAQYLSRUSA-N 0 0 396.487 3.043 50 0 biogenic GGAARN COc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)C[S@@](=O)C2 ZINC000004106102 1398380821 /nfs/dbraw/zinc/38/08/21/1398380821.db2.gz DJUSDPOSNPYGNM-HHHXNRCGSA-N 0 0 381.457 3.204 50 0 GGAARN CC(C)c1nc(SCc2ccc(Cl)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004139029 1398381868 /nfs/dbraw/zinc/38/18/68/1398381868.db2.gz DCRVOQKTAXALQU-UHFFFAOYSA-N 0 0 390.896 3.096 50 0 GGAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000004194473 1398382960 /nfs/dbraw/zinc/38/29/60/1398382960.db2.gz IEUGDNSCDDUODS-UHFFFAOYSA-N 0 0 389.436 3.143 50 0 GGAARN COc1ccc(Oc2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1 ZINC000004197280 1398383396 /nfs/dbraw/zinc/38/33/96/1398383396.db2.gz MDWCCDRLTGTVGC-UHFFFAOYSA-N 0 0 397.383 3.425 50 0 biogenic GGAARN Cc1ccccc1-n1nc2c(c1NC(=O)[C@@H](C)Oc1ccccc1)C[S@@](=O)C2 ZINC000004224635 1398383696 /nfs/dbraw/zinc/38/36/96/1398383696.db2.gz BQAWKILMGRFVIB-JMGYQRAPSA-N 0 0 395.484 3.349 50 0 GGAARN Cc1cccc(-n2nc3c(c2NC(=O)COc2ccccc2)C[S@](=O)C3)c1C ZINC000004224694 1398383718 /nfs/dbraw/zinc/38/37/18/1398383718.db2.gz 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ZINC000004272801 1398387990 /nfs/dbraw/zinc/38/79/90/1398387990.db2.gz WVZVUCHSZWVJRJ-UHFFFAOYSA-N 0 0 386.864 3.373 50 0 GGAARN CC(C)N(C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)C(C)C ZINC000004272315 1398388002 /nfs/dbraw/zinc/38/80/02/1398388002.db2.gz ZZZRPNOYZIOCNI-UHFFFAOYSA-N 0 0 397.519 3.482 50 0 GGAARN C[C@H]1CCCN(C(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)C1 ZINC000004272324 1398388130 /nfs/dbraw/zinc/38/81/30/1398388130.db2.gz DRRCHSGNLGUFHK-KRWDZBQOSA-N 0 0 395.503 3.095 50 0 GGAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2cccc(F)c2)c2ccccc21 ZINC000004271964 1398388184 /nfs/dbraw/zinc/38/81/84/1398388184.db2.gz HUTWQKJVIXHZMU-UHFFFAOYSA-N 0 0 395.434 3.470 50 0 GGAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCc2cccs2)c2ccccc21 ZINC000004271960 1398388466 /nfs/dbraw/zinc/38/84/66/1398388466.db2.gz XQOFDQVQFNFNDI-UHFFFAOYSA-N 0 0 397.500 3.070 50 0 GGAARN CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCN(C(C)=O)C2 ZINC000004281163 1398388994 /nfs/dbraw/zinc/38/89/94/1398388994.db2.gz UZIDRLJEYSRQRB-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/44/09/17/1398440917.db2.gz OQISANGUTSFKLW-UHFFFAOYSA-N 0 0 380.404 3.298 50 0 GGAARN CCOC(=O)N1CCc2c(sc(N)c2C(=O)Nc2ccccc2OCC)C1 ZINC000005673846 1398466405 /nfs/dbraw/zinc/46/64/05/1398466405.db2.gz RIUCQOYSDCPYCV-UHFFFAOYSA-N 0 0 389.477 3.496 50 0 GGAARN CCCCn1c(O)c(C(=O)NCc2ccc(OC)cc2)c(=O)c2ccccc21 ZINC000005737703 1398471917 /nfs/dbraw/zinc/47/19/17/1398471917.db2.gz QMFLDGINDXTCCL-UHFFFAOYSA-N 0 0 380.444 3.446 50 0 GGAARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC5(CC(=O)[C@]4(C)[C@@H]3[C@H](O)C[C@]12C)OCCO5 ZINC000005834887 1398482525 /nfs/dbraw/zinc/48/25/25/1398482525.db2.gz WFVNJFCMHPDSFZ-SZFXQQQISA-N 0 0 390.520 3.127 50 0 GGAARN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1csc(-c2ncccn2)n1 ZINC000055428690 1406960564 /nfs/dbraw/zinc/96/05/64/1406960564.db2.gz XBINOOPQBQHLBI-HNNXBMFYSA-N 0 0 382.445 3.410 50 0 GGAARN COc1ccc2oc(=O)c(C(=O)N3CCN(/C=C/c4ccccc4)CC3)cc2c1 ZINC000006470490 1398554924 /nfs/dbraw/zinc/55/49/24/1398554924.db2.gz JDOCNTYBDIQLSG-MDZDMXLPSA-N 0 0 390.439 3.230 50 0 GGAARN CCCNC(=O)[C@H]1CN(CC(=O)Nc2cccc(C)c2C)c2ccccc2O1 ZINC000007275644 1398645240 /nfs/dbraw/zinc/64/52/40/1398645240.db2.gz HODWZROBLMDCQD-HXUWFJFHSA-N 0 0 381.476 3.036 50 0 GGAARN O=C(c1ccc(F)cc1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 ZINC000008048368 1398796974 /nfs/dbraw/zinc/79/69/74/1398796974.db2.gz NIAGYGKWFGIQNK-UHFFFAOYSA-N 0 0 388.464 3.250 50 0 GGAARN Cc1cc(C)c(NC(=O)Cn2ccn(-c3cccc(Cl)c3)c(=O)c2=O)c(C)c1 ZINC000008588286 1398841089 /nfs/dbraw/zinc/84/10/89/1398841089.db2.gz QVLNBWPPJDGNLB-UHFFFAOYSA-N 0 0 397.862 3.217 50 0 GGAARN CC(C)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000008590546 1398841513 /nfs/dbraw/zinc/84/15/13/1398841513.db2.gz UUKKPAYHLGUART-UHFFFAOYSA-N 0 0 375.494 3.062 50 0 GGAARN COc1cccc(NC(=O)N2CCN(C(=O)c3nsc4ccccc43)CC2)c1 ZINC000008610360 1398842020 /nfs/dbraw/zinc/84/20/20/1398842020.db2.gz MVQFKNFYRHCFLM-UHFFFAOYSA-N 0 0 396.472 3.295 50 0 GGAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1NC(=O)C1CCCCC1 ZINC000008770366 1398846187 /nfs/dbraw/zinc/84/61/87/1398846187.db2.gz UXWBARAAMXPOLR-UHFFFAOYSA-N 0 0 383.448 3.236 50 0 GGAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCCc3c[nH]cn3)c(C)c21 ZINC000008765133 1398846200 /nfs/dbraw/zinc/84/62/00/1398846200.db2.gz RBRKYGDSSWZMBE-UHFFFAOYSA-N 0 0 393.443 3.397 50 0 biogenic GGAARN Cc1oc2cc3oc(=O)c(CC(=O)N4CCc5[nH]cnc5C4)c(C)c3cc2c1C ZINC000008765331 1398846304 /nfs/dbraw/zinc/84/63/04/1398846304.db2.gz GLHJOCQZFAMZTB-UHFFFAOYSA-N 0 0 391.427 3.315 50 0 biogenic GGAARN CCC1=Nc2nc(SC)nn2[C@@H](c2ccccc2OC(F)F)C1C(=O)OC ZINC000008843489 1398847268 /nfs/dbraw/zinc/84/72/68/1398847268.db2.gz DLQQCOUCFKELOS-ZDUSSCGKSA-N 0 0 396.419 3.453 50 0 GGAARN Cc1c(S(=O)(=O)CCNC(=O)Nc2ccc(F)cc2)c2ccccc2n1C ZINC000008808464 1398847328 /nfs/dbraw/zinc/84/73/28/1398847328.db2.gz XUOQNJLEMMJINB-UHFFFAOYSA-N 0 0 389.452 3.221 50 0 GGAARN Cc1ccc(NC(=O)NC[C@H]2CN(c3ccc4c(c3)OCO4)C(=O)O2)cc1C ZINC000008868113 1398848201 /nfs/dbraw/zinc/84/82/01/1398848201.db2.gz XUETYSDOTDTAMM-INIZCTEOSA-N 0 0 383.404 3.179 50 0 GGAARN COc1ccccc1NC(=O)NCCS(=O)(=O)c1c(C)[nH]c2ccccc21 ZINC000008923860 1398848949 /nfs/dbraw/zinc/84/89/49/1398848949.db2.gz MQIUFKWSJOJHDC-UHFFFAOYSA-N 0 0 387.461 3.080 50 0 GGAARN CSc1nc2c(cnn2CCNC(=O)CCC2CCCC2)c(NC(C)C)n1 ZINC000008941187 1398849758 /nfs/dbraw/zinc/84/97/58/1398849758.db2.gz CGAYUTRWTONHEY-UHFFFAOYSA-N 0 0 390.557 3.455 50 0 GGAARN CCSc1nc2c(cnn2CCNC(=O)c2ccco2)c(NCC(C)C)n1 ZINC000008949010 1398850110 /nfs/dbraw/zinc/85/01/10/1398850110.db2.gz MVYBNPCBVWWLMG-UHFFFAOYSA-N 0 0 388.497 3.029 50 0 GGAARN COc1ccc(Cl)cc1C(=O)NCCn1nc(-c2cccs2)ccc1=O ZINC000008954858 1398850167 /nfs/dbraw/zinc/85/01/67/1398850167.db2.gz JYJZOGWDHHLOPT-UHFFFAOYSA-N 0 0 389.864 3.064 50 0 GGAARN CCSc1nc2c(cnn2CCNC(=O)C2CCCCC2)c(NC(C)C)n1 ZINC000008948324 1398850196 /nfs/dbraw/zinc/85/01/96/1398850196.db2.gz SZQQAANFFFTWMI-UHFFFAOYSA-N 0 0 390.557 3.455 50 0 GGAARN CCC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2C1 ZINC000008977004 1398850559 /nfs/dbraw/zinc/85/05/59/1398850559.db2.gz IJKLUHDTLWKDNW-UHFFFAOYSA-N 0 0 376.453 3.230 50 0 GGAARN CCOc1ccc(CC(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000008984347 1398851222 /nfs/dbraw/zinc/85/12/22/1398851222.db2.gz NTHOLDCXYZEIRT-INIZCTEOSA-N 0 0 386.879 3.451 50 0 GGAARN O=C(COc1ccccc1F)NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000008984258 1398851278 /nfs/dbraw/zinc/85/12/78/1398851278.db2.gz OUKXIXJXSSXJBJ-CYBMUJFWSA-N 0 0 376.815 3.027 50 0 GGAARN Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2ccncc2)cc1 ZINC000008979789 1398851290 /nfs/dbraw/zinc/85/12/90/1398851290.db2.gz QRLQRMLSGBUMET-MRXNPFEDSA-N 0 0 392.484 3.445 50 0 GGAARN COc1cc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(OC)c1 ZINC000009040560 1398852392 /nfs/dbraw/zinc/85/23/92/1398852392.db2.gz KQHKZGZEAJGRFO-OAHLLOKOSA-N 0 0 383.448 3.187 50 0 GGAARN O=C(NC[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)Nc1ccc(Cl)cc1 ZINC000009040632 1398852418 /nfs/dbraw/zinc/85/24/18/1398852418.db2.gz HUDGRUZYCJRMRJ-LBPRGKRZSA-N 0 0 387.823 3.243 50 0 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CC(C)(C)OC(=O)NCc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000095473913 1410313755 /nfs/dbraw/zinc/31/37/55/1410313755.db2.gz NHGLWBFIFOMVLG-PGRDOPGGSA-N 0 0 388.508 3.479 50 0 GGAARN COc1cccc(-c2nc(C)c(C(=O)NCc3nnc4ccccn43)s2)c1 ZINC000095476582 1410313780 /nfs/dbraw/zinc/31/37/80/1410313780.db2.gz TXYVJXOSPYZMAL-UHFFFAOYSA-N 0 0 379.445 3.100 50 0 GGAARN CC(C)c1nc2cc(NC(=O)[C@H](C)n3nnc4ccccc4c3=O)ccc2n1C ZINC000095476485 1410313792 /nfs/dbraw/zinc/31/37/92/1410313792.db2.gz VVWVADHZCNUZLG-ZDUSSCGKSA-N 0 0 390.447 3.001 50 0 GGAARN COCCn1ccc2c1cccc2NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000095475698 1410313824 /nfs/dbraw/zinc/31/38/24/1410313824.db2.gz IVHVAOYCDTUIFR-GOSISDBHSA-N 0 0 391.471 3.275 50 0 GGAARN COc1ccccc1-c1ccc(=O)n(CC(=O)N[C@@H](C)CCc2ccccc2)n1 ZINC000095474478 1410313852 /nfs/dbraw/zinc/31/38/52/1410313852.db2.gz JBQNBYBEPQNHPJ-KRWDZBQOSA-N 0 0 391.471 3.056 50 0 GGAARN CC1(C)C[C@H](NC(=O)Cn2nc(-c3cccc4ccccc43)ccc2=O)CCO1 ZINC000095476772 1410313904 /nfs/dbraw/zinc/31/39/04/1410313904.db2.gz DGWUONBNRDFYEZ-QGZVFWFLSA-N 0 0 391.471 3.137 50 0 GGAARN Cc1cc(C)nc(NCCC(=O)NCCc2nc3ccccc3n2C(C)C)n1 ZINC000095477471 1410313914 /nfs/dbraw/zinc/31/39/14/1410313914.db2.gz WGHVKUFGJFQPEY-UHFFFAOYSA-N 0 0 380.496 3.185 50 0 GGAARN CC(C)n1ccc2c1cccc2NC(=O)CCn1nnc2ccccc2c1=O ZINC000095477152 1410314026 /nfs/dbraw/zinc/31/40/26/1410314026.db2.gz JUFMNXPKVJMCPO-UHFFFAOYSA-N 0 0 375.432 3.356 50 0 GGAARN COc1cccc(-c2nc(C)c(C(=O)NCCc3nnc4ccccn43)s2)c1 ZINC000095476237 1410314033 /nfs/dbraw/zinc/31/40/33/1410314033.db2.gz MBWBTPHHCMNKLR-UHFFFAOYSA-N 0 0 393.472 3.142 50 0 GGAARN CN1c2cccnc2Oc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2C1=O ZINC000095477092 1410314054 /nfs/dbraw/zinc/31/40/54/1410314054.db2.gz RPTBHPOZXROPHK-UHFFFAOYSA-N 0 0 389.367 3.445 50 0 GGAARN COCCn1ccc2ccc(C(=O)Nc3n[nH]c(-c4ccccc4OC)n3)cc21 ZINC000095473978 1410314121 /nfs/dbraw/zinc/31/41/21/1410314121.db2.gz GJDZMMUDRLNEHL-UHFFFAOYSA-N 0 0 391.431 3.334 50 0 GGAARN Cc1cc(=O)c(OCC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c[nH]1 ZINC000095474365 1410314166 /nfs/dbraw/zinc/31/41/66/1410314166.db2.gz UEMMVQPAEKIHIX-UHFFFAOYSA-N 0 0 399.350 3.209 50 0 GGAARN COc1ccc(C(=O)CNC(=O)[C@H](CC(C)C)N2Cc3ccccc3C2=O)cc1 ZINC000095475939 1410314197 /nfs/dbraw/zinc/31/41/97/1410314197.db2.gz HTICDUVJAHRLAX-FQEVSTJZSA-N 0 0 394.471 3.065 50 0 biogenic GGAARN O=C(Nc1cccc2[nH]ccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000095478166 1410314426 /nfs/dbraw/zinc/31/44/26/1410314426.db2.gz QSGFQHZSBVVMHT-UHFFFAOYSA-N 0 0 383.473 3.207 50 0 GGAARN COC(=O)C[C@@H](c1ccc(OCc2ccccn2)cc1)c1oc(C)cc(=O)c1O ZINC000095478464 1410314464 /nfs/dbraw/zinc/31/44/64/1410314464.db2.gz HHZBPMOMMXGFIW-SFHVURJKSA-N 0 0 395.411 3.323 50 0 GGAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCCCN1CCOCC1 ZINC000095480023 1410314626 /nfs/dbraw/zinc/31/46/26/1410314626.db2.gz KUODGZWKDUWGKW-LJQANCHMSA-N 0 0 389.927 3.154 50 0 GGAARN CCn1nc(C)c(-c2cc(C(=O)NCCc3c[nH]c4ccccc34)[nH]n2)c1C ZINC000095479155 1410314730 /nfs/dbraw/zinc/31/47/30/1410314730.db2.gz FVCYDMDBRUKHCC-UHFFFAOYSA-N 0 0 376.464 3.364 50 0 GGAARN C[C@@]1(c2ccccc2)CC(=O)N(CCC(=O)Nc2cccc3[nH]ccc32)C1=O ZINC000095478858 1410314740 /nfs/dbraw/zinc/31/47/40/1410314740.db2.gz YYAMNPLNBBUBTR-QFIPXVFZSA-N 0 0 375.428 3.213 50 0 GGAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(F)c(F)c1F ZINC000095478310 1410314774 /nfs/dbraw/zinc/31/47/74/1410314774.db2.gz DFDIEZWTBBOKDT-CYBMUJFWSA-N 0 0 377.322 3.223 50 0 GGAARN COC(=O)c1nc(NC(=O)CCc2c(C)n[nH]c2C)sc1Cc1ccccc1 ZINC000095479884 1410314800 /nfs/dbraw/zinc/31/48/00/1410314800.db2.gz WTZHJLKVZXUKES-UHFFFAOYSA-N 0 0 398.488 3.432 50 0 GGAARN COC(=O)C[C@@H](c1c(C)[nH][nH]c1=O)c1cc2cc(C)ccc2n(CC(C)C)c1=O ZINC000095480972 1410314829 /nfs/dbraw/zinc/31/48/29/1410314829.db2.gz HCHBKWLZQGKEEQ-MRXNPFEDSA-N 0 0 397.475 3.398 50 0 GGAARN COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3Cl)n2)cc1 ZINC000095482297 1410315058 /nfs/dbraw/zinc/31/50/58/1410315058.db2.gz NNLPUDILDBVWRH-GFCCVEGCSA-N 0 0 387.823 3.482 50 0 GGAARN COc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)cc1 ZINC000095482256 1410315388 /nfs/dbraw/zinc/31/53/88/1410315388.db2.gz NWKMWJPTAKKSCH-LBPRGKRZSA-N 0 0 387.823 3.482 50 0 GGAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](C)CO)OC1(CCCCC1)CC3 ZINC000095482655 1410315513 /nfs/dbraw/zinc/31/55/13/1410315513.db2.gz XCFJWXPUZRRCEB-CQSZACIVSA-N 0 0 399.487 3.169 50 0 GGAARN COC(=O)c1cc(F)cc2c1C(=O)[C@@H](c1ncnn1C)[C@@H](c1ccc(F)cc1)N2 ZINC000095837047 1410316403 /nfs/dbraw/zinc/31/64/03/1410316403.db2.gz PVAIIDFKUPYMQA-DLBZAZTESA-N 0 0 398.369 3.013 50 0 GGAARN C[C@H](CSC(F)(F)F)NS(=O)(=O)c1cccc(Br)c1 ZINC000095918467 1410316412 /nfs/dbraw/zinc/31/64/12/1410316412.db2.gz DPHOTJJCIYBMCA-SSDOTTSWSA-N 0 0 378.235 3.369 50 0 GGAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4ccc(C)cc4)CC3)C2=O)cc1 ZINC000096105347 1410323189 /nfs/dbraw/zinc/32/31/89/1410323189.db2.gz HOAWJFJOPHVSPI-UHFFFAOYSA-N 0 0 391.471 3.030 50 0 GGAARN O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O ZINC000096105514 1410323306 /nfs/dbraw/zinc/32/33/06/1410323306.db2.gz BJEALLHUADGBIZ-UHFFFAOYSA-N 0 0 397.862 3.067 50 0 GGAARN Cc1cc(C)cc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2)C3=O)c1 ZINC000096105424 1410323428 /nfs/dbraw/zinc/32/34/28/1410323428.db2.gz SCCOSSPGTCIGGI-UHFFFAOYSA-N 0 0 391.471 3.030 50 0 GGAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cnn3cccnc23)S1 ZINC000096117357 1410323671 /nfs/dbraw/zinc/32/36/71/1410323671.db2.gz PALBUBHGOHMJPY-WFASDCNBSA-N 0 0 398.492 3.235 50 0 GGAARN CC(C)C[C@H](NC(=O)c1cc(-c2ccccn2)n[nH]1)c1nnc2ccccn21 ZINC000096118146 1410323746 /nfs/dbraw/zinc/32/37/46/1410323746.db2.gz VUFJWQVIFXQYBK-INIZCTEOSA-N 0 0 375.436 3.032 50 0 GGAARN COc1ccc(C(=O)CNC(=O)c2cn(CC(C)C)c(=O)c3ccccc23)cc1 ZINC000096115957 1410323768 /nfs/dbraw/zinc/32/37/68/1410323768.db2.gz VFRYEZCVEFQMLU-UHFFFAOYSA-N 0 0 392.455 3.279 50 0 biogenic GGAARN COC(=O)c1nc(NC(=O)[C@H]2CC(=O)OC2(C)C)sc1-c1ccc(F)cc1 ZINC000096118252 1410323804 /nfs/dbraw/zinc/32/38/04/1410323804.db2.gz FPVYIQOQMSPBSZ-LLVKDONJSA-N 0 0 392.408 3.016 50 0 GGAARN CCCNC(=O)CC/C(C)=C/Cc1c(OC)c2c(c(C)c1OC)COC2=O ZINC000096116190 1410323939 /nfs/dbraw/zinc/32/39/39/1410323939.db2.gz MJJAIDXKDSEKPE-NTUHNPAUSA-N 0 0 375.465 3.478 50 0 biogenic GGAARN COc1cc2cc(C(=O)Nc3cccc(-c4nc[nH]n4)c3)n(C)c2cc1OC ZINC000096118306 1410323956 /nfs/dbraw/zinc/32/39/56/1410323956.db2.gz QQNNFWLXJOKXFB-UHFFFAOYSA-N 0 0 377.404 3.233 50 0 GGAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cnn3cccnc23)S1 ZINC000096117356 1410324005 /nfs/dbraw/zinc/32/40/05/1410324005.db2.gz PALBUBHGOHMJPY-DOMZBBRYSA-N 0 0 398.492 3.235 50 0 GGAARN CSCC[C@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1nnc2ccccn21 ZINC000096117566 1410324056 /nfs/dbraw/zinc/32/40/56/1410324056.db2.gz UEIOGZYBNJKIFZ-HNNXBMFYSA-N 0 0 392.488 3.344 50 0 GGAARN COc1ccc(-c2cc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)[nH]n2)cc1OC ZINC000096118806 1410324286 /nfs/dbraw/zinc/32/42/86/1410324286.db2.gz DNSBLUXQBSLJNN-LBPRGKRZSA-N 0 0 391.431 3.461 50 0 GGAARN Cc1noc(C)c1CCC(=O)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000096118617 1410324294 /nfs/dbraw/zinc/32/42/94/1410324294.db2.gz UDWQIMAMJMYXCX-UHFFFAOYSA-N 0 0 394.475 3.126 50 0 GGAARN Cc1noc(C)c1CC(=O)Nc1nc(C(=O)NCc2ccc(Cl)cc2)co1 ZINC000096119008 1410324304 /nfs/dbraw/zinc/32/43/04/1410324304.db2.gz DHOINCUFWMPOPE-UHFFFAOYSA-N 0 0 388.811 3.044 50 0 GGAARN O=C(C[C@@H]1NC(=O)c2ccccc21)NCCCCCc1nc2ccccc2[nH]1 ZINC000096118629 1410324521 /nfs/dbraw/zinc/32/45/21/1410324521.db2.gz OEYWQFXZGFMAON-IBGZPJMESA-N 0 0 376.460 3.267 50 0 GGAARN CCCN1C[C@H](NC(=O)c2cc(C(C)C)oc2C)C[C@H]1C(=O)N(CC)CC ZINC000096165571 1410325331 /nfs/dbraw/zinc/32/53/31/1410325331.db2.gz TYSHYPVWTBOPRF-AEFFLSMTSA-N 0 0 377.529 3.163 50 0 GGAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc(O)c2)CCO1 ZINC000096230702 1410325609 /nfs/dbraw/zinc/32/56/09/1410325609.db2.gz NFVMPOCZCMJELM-MLGOLLRUSA-N 0 0 389.477 3.199 50 0 GGAARN CSCC[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc21)c1nc2ccccc2[nH]1 ZINC000096232373 1410325743 /nfs/dbraw/zinc/32/57/43/1410325743.db2.gz SVLUPRUZOMGFAP-ROUUACIJSA-N 0 0 394.500 3.348 50 0 GGAARN CC(C)n1nnc(-c2ccc(C(=O)NCCCc3nc4ccccc4[nH]3)cc2)n1 ZINC000096231823 1410325983 /nfs/dbraw/zinc/32/59/83/1410325983.db2.gz SLJLIHDBEBGTSJ-UHFFFAOYSA-N 0 0 389.463 3.160 50 0 GGAARN O=C(Cn1nc2c(cc1=O)CCCCC2)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000096232404 1410326018 /nfs/dbraw/zinc/32/60/18/1410326018.db2.gz AEHHSGRWVOSDJC-FQEVSTJZSA-N 0 0 390.487 3.187 50 0 GGAARN CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(O)c2)CCO1 ZINC000096230700 1410326024 /nfs/dbraw/zinc/32/60/24/1410326024.db2.gz NFVMPOCZCMJELM-WBMJQRKESA-N 0 0 389.477 3.199 50 0 GGAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C1(n2cnnn2)CCCCC1 ZINC000096232266 1410326035 /nfs/dbraw/zinc/32/60/35/1410326035.db2.gz VMTUMPFSLJGPBB-GOSISDBHSA-N 0 0 394.479 3.016 50 0 GGAARN CC(C)n1c(CNC(=O)CCCc2nnc3ccccn32)nc2ccccc21 ZINC000096232751 1410326044 /nfs/dbraw/zinc/32/60/44/1410326044.db2.gz MDZVIDRFNZSMFP-UHFFFAOYSA-N 0 0 376.464 3.299 50 0 GGAARN CCc1ccc(S(=O)(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)s1 ZINC000096340596 1410327476 /nfs/dbraw/zinc/32/74/76/1410327476.db2.gz AVVBDCBBRWSQFW-UHFFFAOYSA-N 0 0 395.428 3.281 50 0 GGAARN O=C(Nc1nc2ccccc2s1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000096344927 1410327745 /nfs/dbraw/zinc/32/77/45/1410327745.db2.gz WHSCEQKPUPEYLD-LLVKDONJSA-N 0 0 377.429 3.164 50 0 GGAARN Cc1ccc(S(=O)(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)s1 ZINC000096340597 1410327759 /nfs/dbraw/zinc/32/77/59/1410327759.db2.gz BPQIJJWLALRLNG-UHFFFAOYSA-N 0 0 381.401 3.027 50 0 GGAARN COc1cccc(-n2cnc3c2[C@H](c2cc(OC)c(O)c(OC)c2)CC(=O)N3)c1 ZINC000096335714 1410327798 /nfs/dbraw/zinc/32/77/98/1410327798.db2.gz FWXQDMUMSYRQBG-HNNXBMFYSA-N 0 0 395.415 3.078 50 0 GGAARN COc1ccc(CNC(=O)N2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1OC ZINC000096367763 1410328719 /nfs/dbraw/zinc/32/87/19/1410328719.db2.gz YHXZVMGSDROKRD-JOCHJYFZSA-N 0 0 396.443 3.023 50 0 GGAARN COC1CCN(c2ccc(NC(=O)CNC(=O)OCc3ccccc3)cc2)CC1 ZINC000096382252 1410329721 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Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccco2)N2CCSCC2)cc1C ZINC000240067706 206279724 /nfs/dbraw/zinc/27/97/24/206279724.db2.gz RZJLBRLPKXRRBD-QGZVFWFLSA-N 0 0 394.562 3.273 50 0 GGAARN O=C(c1cccc(-n2cccn2)c1)N1CC[C@H](c2noc(-c3ccco3)n2)C1 ZINC000244933064 206280273 /nfs/dbraw/zinc/28/02/73/206280273.db2.gz BZLFUAZPWJBQIF-HNNXBMFYSA-N 0 0 375.388 3.145 50 0 GGAARN Cc1noc([C@@H]2CN(C(=O)c3cnc4ccccc4n3)C[C@H]2c2ccccc2)n1 ZINC000240122669 206280369 /nfs/dbraw/zinc/28/03/69/206280369.db2.gz WGKQPDUMVSTKAQ-DLBZAZTESA-N 0 0 385.427 3.345 50 0 GGAARN COc1ccccc1C1(C(=O)NC[C@@](O)(c2ccsc2)c2ccco2)CC1 ZINC000244983754 206280390 /nfs/dbraw/zinc/28/03/90/206280390.db2.gz IPVIKWHWYHMJFE-OAQYLSRUSA-N 0 0 383.469 3.434 50 0 GGAARN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)N2CCCN32)cc1Cl ZINC000239433442 206280470 /nfs/dbraw/zinc/28/04/70/206280470.db2.gz XRZRKMZHEIFWSF-GBESFXJTSA-N 0 0 381.863 3.184 50 0 GGAARN Cc1cccc(NC(=O)C(=O)NC[C@@](O)(c2ccsc2)c2cccs2)c1 ZINC000244983849 206280487 /nfs/dbraw/zinc/28/04/87/206280487.db2.gz ITNFMYXFUQLTCW-LJQANCHMSA-N 0 0 386.498 3.109 50 0 GGAARN Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccco2)N2CCSCC2)cc1C ZINC000240067705 206280508 /nfs/dbraw/zinc/28/05/08/206280508.db2.gz RZJLBRLPKXRRBD-KRWDZBQOSA-N 0 0 394.562 3.273 50 0 GGAARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)c1 ZINC000245327322 206281027 /nfs/dbraw/zinc/28/10/27/206281027.db2.gz OJHPYDFJLAURAB-NJDAHSKKSA-N 0 0 385.423 3.441 50 0 GGAARN Cc1cccnc1NC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000245246786 206281580 /nfs/dbraw/zinc/28/15/80/206281580.db2.gz NQUYDVJOVZSRFP-WKILWMFISA-N 0 0 392.459 3.251 50 0 GGAARN Cc1noc([C@@H]2CN(C(=O)c3cc(-c4ccco4)n[nH]3)C[C@@H]2c2ccccc2)n1 ZINC000245187597 206281881 /nfs/dbraw/zinc/28/18/81/206281881.db2.gz ZPZRSLYMKYNTBW-HZPDHXFCSA-N 0 0 389.415 3.385 50 0 GGAARN COc1cc(=O)n2c(c1C(=O)Nc1cccc(-c3csc(C)n3)c1)CCC2 ZINC000253394927 206282013 /nfs/dbraw/zinc/28/20/13/206282013.db2.gz BKLXFVZAEVOKDL-UHFFFAOYSA-N 0 0 381.457 3.487 50 0 GGAARN O=C(Nc1cccc(O)c1)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000245247226 206282105 /nfs/dbraw/zinc/28/21/05/206282105.db2.gz SDYDIIJISYOVIB-SHTZXODSSA-N 0 0 393.443 3.253 50 0 GGAARN O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC(N2C(=O)CNC2=O)CC1 ZINC000253394303 206281385 /nfs/dbraw/zinc/28/13/85/206281385.db2.gz AYHIETBVSFOQES-UHFFFAOYSA-N 0 0 397.862 3.163 50 0 GGAARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@H]2C1=O ZINC000245327326 206281405 /nfs/dbraw/zinc/28/14/05/206281405.db2.gz OKIOGBUHXQLPFA-NJDAHSKKSA-N 0 0 385.423 3.441 50 0 GGAARN O=C(NC[C@@](O)(c1ccsc1)c1cccs1)c1ccc2nsnc2c1 ZINC000253408661 206282847 /nfs/dbraw/zinc/28/28/47/206282847.db2.gz YLNFXRKAXXWMDT-QGZVFWFLSA-N 0 0 387.511 3.480 50 0 GGAARN COC(=O)C[C@@H](c1ccc(OC)cc1OC)c1oc2ccccc2c(=O)c1O ZINC000253397673 206282880 /nfs/dbraw/zinc/28/28/80/206282880.db2.gz BOSWRTJVWIKROK-HNNXBMFYSA-N 0 0 384.384 3.211 50 0 biogenic GGAARN O=C(Cc1noc2ccccc21)N1CC[C@H](c2noc(-c3cccs3)n2)C1 ZINC000253404050 206282896 /nfs/dbraw/zinc/28/28/96/206282896.db2.gz QURDTLFRUCVCMV-LBPRGKRZSA-N 0 0 380.429 3.498 50 0 GGAARN CCc1ccc(S(=O)(=O)NC[C@](O)(c2ccoc2)c2cccs2)s1 ZINC000253471885 206283109 /nfs/dbraw/zinc/28/31/09/206283109.db2.gz GKJUWLXGAXPXQT-INIZCTEOSA-N 0 0 383.516 3.179 50 0 GGAARN O=S(=O)(Cc1ccccc1Cl)NC[C@@](O)(c1ccoc1)c1cccs1 ZINC000253471179 206283192 /nfs/dbraw/zinc/28/31/92/206283192.db2.gz BJYVOUBLGWKZPS-QGZVFWFLSA-N 0 0 397.905 3.350 50 0 GGAARN COc1ccc(OC)c(S(=O)(=O)NC[C@H](OC)c2cc3ccccc3o2)c1 ZINC000253472627 206283333 /nfs/dbraw/zinc/28/33/33/206283333.db2.gz NYGGQRGXTOJADJ-SFHVURJKSA-N 0 0 391.445 3.116 50 0 GGAARN O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1cc(=O)c2ccccc2o1 ZINC000253472504 206283427 /nfs/dbraw/zinc/28/34/27/206283427.db2.gz MUOAUXQAOQPBSQ-FQEVSTJZSA-N 0 0 381.409 3.113 50 0 GGAARN O=C(N[C@H](Cn1nccn1)c1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000253397877 206282629 /nfs/dbraw/zinc/28/26/29/206282629.db2.gz GEAPDDGEURCBAL-MRXNPFEDSA-N 0 0 376.338 3.348 50 0 GGAARN O=C(NCc1ccc2c(c1)OCO2)N1CC[C@H](c2noc(-c3cccs3)n2)C1 ZINC000253473350 206283991 /nfs/dbraw/zinc/28/39/91/206283991.db2.gz UHSHYVRNQCLORN-ZDUSSCGKSA-N 0 0 398.444 3.226 50 0 GGAARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC5(CC(=O)[C@]4(C)[C@@H]3[C@H](O)C[C@]12C)OCCO5 ZINC000253533968 206284650 /nfs/dbraw/zinc/28/46/50/206284650.db2.gz WFVNJFCMHPDSFZ-SBUQOJTDSA-N 0 0 390.520 3.127 50 0 GGAARN Cc1ccc(Cl)cc1S(=O)(=O)NCCn1cc(-c2ccccc2)cn1 ZINC000253472958 206284665 /nfs/dbraw/zinc/28/46/65/206284665.db2.gz QSWVGKYOEATBCG-UHFFFAOYSA-N 0 0 375.881 3.490 50 0 GGAARN O=C(C[C@H](c1ccsc1)n1cccc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000263587803 206286944 /nfs/dbraw/zinc/28/69/44/206286944.db2.gz LLSOLEWNXXGJGT-CYBMUJFWSA-N 0 0 395.410 3.182 50 0 GGAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)COc1ccc2c(c1)OCO2 ZINC000257199036 206286986 /nfs/dbraw/zinc/28/69/86/206286986.db2.gz PUWBTZYEGJXHNH-GOSISDBHSA-N 0 0 394.427 3.478 50 0 biogenic GGAARN O=C(C[C@H](c1ccsc1)n1cccc1)NCCc1nc(-c2ccncc2)no1 ZINC000263587818 206287153 /nfs/dbraw/zinc/28/71/53/206287153.db2.gz LONOIEKCZXPCRP-QGZVFWFLSA-N 0 0 393.472 3.333 50 0 GGAARN COCCn1ccc2c1cccc2OCC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000263587206 206287690 /nfs/dbraw/zinc/28/76/90/206287690.db2.gz DJDMWIBCBXHQSV-JOCHJYFZSA-N 0 0 394.471 3.267 50 0 GGAARN COCCn1ccc2c1cccc2OCC(=O)Nc1nnc(C2CCCCC2)[nH]1 ZINC000263587825 206287898 /nfs/dbraw/zinc/28/78/98/206287898.db2.gz LQPAIYIXIKSOED-UHFFFAOYSA-N 0 0 397.479 3.471 50 0 GGAARN COCCn1ccc2c1cccc2OCC(=O)Nc1ccc2c(c1)ncn2C ZINC000263587649 206288170 /nfs/dbraw/zinc/28/81/70/206288170.db2.gz JNWDWJVPVHCSOH-UHFFFAOYSA-N 0 0 378.432 3.192 50 0 GGAARN COCCn1ccc2c1cccc2OCC(=O)Nc1ccc2[nH]c(C)nc2c1 ZINC000263587509 206288249 /nfs/dbraw/zinc/28/82/49/206288249.db2.gz HPNNMOZMTBCTOF-UHFFFAOYSA-N 0 0 378.432 3.490 50 0 GGAARN COc1ccc([C@@H]2Cn3cnc(C(=O)NCc4ccc(F)cc4F)c3CO2)cc1 ZINC000263615537 206289181 /nfs/dbraw/zinc/28/91/81/206289181.db2.gz CWHTWTRUJGZNNW-IBGZPJMESA-N 0 0 399.397 3.371 50 0 GGAARN O=c1c2c(CO)c(-c3cccc(F)c3)nn2ccn1Cc1cc(F)cc(F)c1 ZINC000263617510 206289193 /nfs/dbraw/zinc/28/91/93/206289193.db2.gz ODDQFNUJQZKQKD-UHFFFAOYSA-N 0 0 385.345 3.121 50 0 GGAARN Cc1ccc(-c2nn3ccn(Cc4ccc(F)c(F)c4)c(=O)c3c2CO)cc1 ZINC000263616886 206289219 /nfs/dbraw/zinc/28/92/19/206289219.db2.gz LAXHLNJUXHZTFJ-UHFFFAOYSA-N 0 0 381.382 3.290 50 0 GGAARN COc1ccc([C@H]2Cn3cnc(C(=O)N(C)CCc4ccccc4)c3CO2)cc1 ZINC000263617896 206289440 /nfs/dbraw/zinc/28/94/40/206289440.db2.gz QGECSUINLWTVBQ-OAQYLSRUSA-N 0 0 391.471 3.478 50 0 GGAARN CSc1ccc(CN[C@@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)cc1 ZINC000263616606 206289463 /nfs/dbraw/zinc/28/94/63/206289463.db2.gz JRMHUPINVKEJEU-IBGZPJMESA-N 0 0 382.464 3.443 50 0 GGAARN COc1ccc(C)cc1NC(=O)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 ZINC000263618480 206289503 /nfs/dbraw/zinc/28/95/03/206289503.db2.gz TZXBBPWDCJHECW-SFHVURJKSA-N 0 0 382.395 3.258 50 0 GGAARN CCc1ccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000263615710 206289543 /nfs/dbraw/zinc/28/95/43/206289543.db2.gz DTLZKUMNJDUJSP-HXUWFJFHSA-N 0 0 392.459 3.051 50 0 GGAARN COc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccncc5)no4)c3CO2)cc1 ZINC000263617580 206289567 /nfs/dbraw/zinc/28/95/67/206289567.db2.gz ONURZTBMWDLSBR-QGZVFWFLSA-N 0 0 375.388 3.275 50 0 GGAARN C=Cc1ccc(Cn2ccn3nc(-c4ccc(OC)cc4)c(CO)c3c2=O)cc1 ZINC000263618287 206289685 /nfs/dbraw/zinc/28/96/85/206289685.db2.gz SBTMVCCCTCZUSY-UHFFFAOYSA-N 0 0 387.439 3.355 50 0 GGAARN COc1cccc(-c2cc3c(=O)n(C[C@H](O)c4ccc(C)cc4)ccn3n2)c1 ZINC000263617247 206289735 /nfs/dbraw/zinc/28/97/35/206289735.db2.gz MWNQIZGPFWFJPR-NRFANRHFSA-N 0 0 375.428 3.214 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4cc(F)ccc4F)c3CO2)cc1 ZINC000263615816 206288552 /nfs/dbraw/zinc/28/85/52/206288552.db2.gz FHWRXYILDHHDAT-QGZVFWFLSA-N 0 0 386.358 3.089 50 0 GGAARN CCOc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc(F)cc4)ccn3n2)cc1 ZINC000263616219 206288631 /nfs/dbraw/zinc/28/86/31/206288631.db2.gz HQNJTFJBDXZQTC-OAQYLSRUSA-N 0 0 393.418 3.434 50 0 GGAARN COc1ccc([C@@H]2Cn3cnc(C(=O)N(C)CCc4ccccc4)c3CO2)cc1 ZINC000263617895 206288677 /nfs/dbraw/zinc/28/86/77/206288677.db2.gz QGECSUINLWTVBQ-NRFANRHFSA-N 0 0 391.471 3.478 50 0 GGAARN CCOc1ccccc1CNC(=O)c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 ZINC000263617075 206288823 /nfs/dbraw/zinc/28/88/23/206288823.db2.gz LYJUSPMRZAGUNV-IBGZPJMESA-N 0 0 396.422 3.017 50 0 GGAARN COc1ccc(-c2cc3n(n2)[C@H](NCc2ccc(Cl)cc2)CNC3=O)cc1 ZINC000263617920 206288836 /nfs/dbraw/zinc/28/88/36/206288836.db2.gz QKOKKBNJDAXHJU-IBGZPJMESA-N 0 0 382.851 3.244 50 0 GGAARN CCOc1cccc(CN[C@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)c1 ZINC000263617365 206288938 /nfs/dbraw/zinc/28/89/38/206288938.db2.gz NJWSWPXIXNKHKX-HXUWFJFHSA-N 0 0 380.423 3.120 50 0 GGAARN COCCN1Cc2cc(C(=O)NCc3ccc(C(C)C)cc3)ccc2OCC1=O ZINC000263618046 206288950 /nfs/dbraw/zinc/28/89/50/206288950.db2.gz QZMPTIYIKDQART-UHFFFAOYSA-N 0 0 396.487 3.107 50 0 GGAARN O=C(C[C@H](c1cccc2ccccc21)n1cccc1)NCCN1CCCC1=O ZINC000263588285 206289057 /nfs/dbraw/zinc/28/90/57/206289057.db2.gz RFDBCFDDBWEBNA-OAQYLSRUSA-N 0 0 375.472 3.359 50 0 GGAARN Cc1ccc(-c2nn3ccn(Cc4ccc(F)cc4F)c(=O)c3c2CO)cc1 ZINC000263616706 206289076 /nfs/dbraw/zinc/28/90/76/206289076.db2.gz KDLBIJFNZDSHKZ-UHFFFAOYSA-N 0 0 381.382 3.290 50 0 GGAARN COc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccccn5)no4)c3CO2)cc1 ZINC000263619391 206290418 /nfs/dbraw/zinc/29/04/18/206290418.db2.gz YNKZEEKPPSYCJM-KRWDZBQOSA-N 0 0 375.388 3.275 50 0 GGAARN Cc1ccc(-c2cc3n(n2)[C@H](NCc2cc(F)cc(F)c2)CNC3=O)c(C)c1 ZINC000263618687 206290477 /nfs/dbraw/zinc/29/04/77/206290477.db2.gz UZKINLHVMCMAIM-FQEVSTJZSA-N 0 0 382.414 3.477 50 0 GGAARN CC1(C)C[C@]2(CCO1)OC(=O)C[C@H]2C(=O)Nc1ccc(Br)cc1 ZINC000001149597 206290499 /nfs/dbraw/zinc/29/04/99/206290499.db2.gz SPWQOIWKUZRUDT-GUYCJALGSA-N 0 0 382.254 3.279 50 0 biogenic GGAARN COc1cccc([C@@H](O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)c1 ZINC000263619220 206290600 /nfs/dbraw/zinc/29/06/00/206290600.db2.gz XNBZQGWGDYIDOZ-NRFANRHFSA-N 0 0 375.428 3.214 50 0 GGAARN COc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccncc5)no4)cc3CO2)cc1 ZINC000263619111 206290606 /nfs/dbraw/zinc/29/06/06/206290606.db2.gz WYTBBNLUAUVFSQ-SFHVURJKSA-N 0 0 375.388 3.275 50 0 GGAARN COc1ccc(C2(CNC(=O)[C@H]3COc4ccccc4O3)CCCC2)cc1OC ZINC000000823993 206290807 /nfs/dbraw/zinc/29/08/07/206290807.db2.gz RGOCBNRQBJJYRW-OAQYLSRUSA-N 0 0 397.471 3.472 50 0 biogenic GGAARN CC1(C)C[C@]2(CCO1)OC(=O)C[C@@H]2C(=O)Nc1ccc(Br)cc1 ZINC000001149594 206290812 /nfs/dbraw/zinc/29/08/12/206290812.db2.gz SPWQOIWKUZRUDT-DYVFJYSZSA-N 0 0 382.254 3.279 50 0 biogenic GGAARN COC(=O)c1cc(OC)c(OC)cc1NCc1cc(=O)oc2cc(C)c(O)cc12 ZINC000002114256 206291827 /nfs/dbraw/zinc/29/18/27/206291827.db2.gz QXDYAUDXMUSYDW-UHFFFAOYSA-N 0 0 399.399 3.223 50 0 biogenic GGAARN COc1ccc([C@H]2Cn3nc(-c4nc(-c5ccncc5)no4)cc3CO2)cc1 ZINC000263619110 206291020 /nfs/dbraw/zinc/29/10/20/206291020.db2.gz WYTBBNLUAUVFSQ-GOSISDBHSA-N 0 0 375.388 3.275 50 0 GGAARN CCc1cc2c(cc1OCC(N)=O)occ(-c1ccc3c(c1)OCCCO3)c2=O ZINC000001128855 206291072 /nfs/dbraw/zinc/29/10/72/206291072.db2.gz UPADHAAFJIWARH-UHFFFAOYSA-N 0 0 395.411 3.048 50 0 biogenic GGAARN COC(=O)[C@@H](C)Oc1ccc2cc(-c3ccc(OC)cc3OC)c(=O)oc2c1 ZINC000004085683 206293061 /nfs/dbraw/zinc/29/30/61/206293061.db2.gz RKEAFMNMZXGIIV-GFCCVEGCSA-N 0 0 384.384 3.418 50 0 biogenic GGAARN COc1ccc(CCNC(=O)Cc2c(C)c3c(O)cc(C)cc3oc2=O)cc1 ZINC000004089660 206293486 /nfs/dbraw/zinc/29/34/86/206293486.db2.gz WWDYCQCQBIKQTE-UHFFFAOYSA-N 0 0 381.428 3.025 50 0 biogenic GGAARN COc1ccc(NC(=O)C[C@@H]([NH2+]CCc2c[nH]c3ccc(C)cc23)C(=O)[O-])cc1 ZINC000010385344 206295551 /nfs/dbraw/zinc/29/55/51/206295551.db2.gz FEISMJSLHMOZKG-HXUWFJFHSA-N 0 0 395.459 3.099 50 0 biogenic GGAARN COCCN1COc2ccc3cc(-c4ccc(OC)cc4OC)c(=O)oc3c2C1 ZINC000012442395 206294550 /nfs/dbraw/zinc/29/45/50/206294550.db2.gz PCRHTGUDJGVBCY-UHFFFAOYSA-N 0 0 397.427 3.276 50 0 biogenic GGAARN O=C(CCNC(=O)N1CCc2c3ccccc3[nH]c2C1)N1CCc2ccccc21 ZINC000012296857 206295214 /nfs/dbraw/zinc/29/52/14/206295214.db2.gz QCQPQCRVWSKQDV-UHFFFAOYSA-N 0 0 388.471 3.215 50 0 biogenic GGAARN Cc1ccc2c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1 ZINC000020392416 206297294 /nfs/dbraw/zinc/29/72/94/206297294.db2.gz IJDODFDQIJIZBV-UHFFFAOYSA-N 0 0 392.455 3.148 50 0 GGAARN COc1ccc2[nH]c3c(c2c1)CCN([C@H]1CC(=O)N(c2ccccc2F)C1=O)C3 ZINC000100792595 206304235 /nfs/dbraw/zinc/30/42/35/206304235.db2.gz IMEOERJGAHZYGL-FQEVSTJZSA-N 0 0 393.418 3.006 50 0 biogenic GGAARN COc1ccc([C@@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OC(C)C)cc1OC ZINC000027987449 206303385 /nfs/dbraw/zinc/30/33/85/206303385.db2.gz TXTREGCQDJUBCC-FQEVSTJZSA-N 0 0 396.443 3.421 50 0 GGAARN COc1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c(OC)c1 ZINC000009039874 206306539 /nfs/dbraw/zinc/30/65/39/206306539.db2.gz HGQYVUYBLVHEIN-ZDUSSCGKSA-N 0 0 387.411 3.018 50 0 GGAARN CCN1c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OCC(C)(C)C1=O ZINC000009170622 206306561 /nfs/dbraw/zinc/30/65/61/206306561.db2.gz FQRHLTFRODTDRY-UHFFFAOYSA-N 0 0 392.452 3.398 50 0 GGAARN COc1ccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC ZINC000009040439 206306603 /nfs/dbraw/zinc/30/66/03/206306603.db2.gz IXFYULPWIQCQIA-OAHLLOKOSA-N 0 0 383.448 3.187 50 0 GGAARN CN1c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OCC(C)(C)C1=O ZINC000009170001 206306682 /nfs/dbraw/zinc/30/66/82/206306682.db2.gz PAUZFJDZWDVGMH-UHFFFAOYSA-N 0 0 378.425 3.008 50 0 GGAARN O=C(CN1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1)Nc1ccc(F)cc1 ZINC000009068125 206306701 /nfs/dbraw/zinc/30/67/01/206306701.db2.gz OICIBBWEAWSJIC-UHFFFAOYSA-N 0 0 391.393 3.393 50 0 GGAARN COc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3cc(C)n(C)n3)nc21 ZINC000009122250 206306803 /nfs/dbraw/zinc/30/68/03/206306803.db2.gz DAJXQKNEOMMHML-CYBMUJFWSA-N 0 0 386.477 3.173 50 0 GGAARN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)ccc1F ZINC000009165753 206306835 /nfs/dbraw/zinc/30/68/35/206306835.db2.gz YTALLPLCDOMUGQ-UHFFFAOYSA-N 0 0 392.452 3.316 50 0 GGAARN CN1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2OCC(C)(C)C1=O ZINC000009165494 206306906 /nfs/dbraw/zinc/30/69/06/206306906.db2.gz HBVUKYVBKHAMRW-UHFFFAOYSA-N 0 0 378.425 3.008 50 0 GGAARN O=C(NCc1ccc(F)cc1)NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000009040351 206306932 /nfs/dbraw/zinc/30/69/32/206306932.db2.gz OUMJQPJGNHVOMS-AWEZNQCLSA-N 0 0 375.831 3.331 50 0 GGAARN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)ccc1F ZINC000009173585 206307123 /nfs/dbraw/zinc/30/71/23/206307123.db2.gz OMGLTNFISSVHHN-UHFFFAOYSA-N 0 0 378.425 3.292 50 0 GGAARN CCN1c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2OCC(C)(C)C1=O ZINC000009170484 206307168 /nfs/dbraw/zinc/30/71/68/206307168.db2.gz BARNDORZCJKLRP-UHFFFAOYSA-N 0 0 392.452 3.398 50 0 GGAARN O=C(NC[C@@H]1CCCO1)c1cn(Cc2ccccc2)nc1OCc1ccccc1 ZINC000009071467 206307230 /nfs/dbraw/zinc/30/72/30/206307230.db2.gz ZJYPGRCNBFGVTB-FQEVSTJZSA-N 0 0 391.471 3.419 50 0 GGAARN CCOc1ccc(NC(=O)NC[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cc1 ZINC000009066821 206307337 /nfs/dbraw/zinc/30/73/37/206307337.db2.gz KOSNRBWGZBEZSN-INIZCTEOSA-N 0 0 385.439 3.395 50 0 GGAARN Cc1cccc(CS(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)c1 ZINC000009165942 206307378 /nfs/dbraw/zinc/30/73/78/206307378.db2.gz LBCAWZIMAGAPHX-UHFFFAOYSA-N 0 0 388.489 3.318 50 0 GGAARN O=C(Nc1nc2c(s1)CC[C@H]2C(=O)NCc1ccco1)c1ccc(F)cc1 ZINC000009131534 206307389 /nfs/dbraw/zinc/30/73/89/206307389.db2.gz QEICDNQLHRTJBX-CQSZACIVSA-N 0 0 385.420 3.474 50 0 GGAARN COc1cc(OC)cc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c1 ZINC000000896547 206331269 /nfs/dbraw/zinc/33/12/69/206331269.db2.gz PIPBUYGYNUMSFD-UHFFFAOYSA-N 0 0 376.840 3.446 50 0 GGAARN CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000000625232 206307788 /nfs/dbraw/zinc/30/77/88/206307788.db2.gz ZKHSLEDCORXCPQ-GOSISDBHSA-N 0 0 380.400 3.086 50 0 GGAARN COc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3cc(C)nn3C)nc21 ZINC000009200789 206308015 /nfs/dbraw/zinc/30/80/15/206308015.db2.gz BKKCZOCKYGOIKA-CYBMUJFWSA-N 0 0 386.477 3.173 50 0 GGAARN COc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3cc(C)nn3C)sc2c1 ZINC000009200923 206308501 /nfs/dbraw/zinc/30/85/01/206308501.db2.gz SSWSFVXUWDMPCY-CQSZACIVSA-N 0 0 386.477 3.173 50 0 GGAARN O=C(NCCc1ccccc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000626117 206309073 /nfs/dbraw/zinc/30/90/73/206309073.db2.gz KHMKLDUYGAECHP-QFIPXVFZSA-N 0 0 398.462 3.253 50 0 GGAARN CCOc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000000630589 206309142 /nfs/dbraw/zinc/30/91/42/206309142.db2.gz NRGSMACFWLRRQM-HNNXBMFYSA-N 0 0 376.478 3.008 50 0 GGAARN COc1cc(OC)cc(OC(=O)Cn2c(=O)sc3cccc(Cl)c32)c1 ZINC000000625624 206309297 /nfs/dbraw/zinc/30/92/97/206309297.db2.gz ALSLIMZDXZQYTJ-UHFFFAOYSA-N 0 0 379.821 3.339 50 0 GGAARN O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(Cl)cc1 ZINC000000630032 206309396 /nfs/dbraw/zinc/30/93/96/206309396.db2.gz YTVXWVBBXFYWEB-UHFFFAOYSA-N 0 0 392.640 3.451 50 0 GGAARN CCc1oc2cc(OCC(=O)OC)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000000630387 206309408 /nfs/dbraw/zinc/30/94/08/206309408.db2.gz UDNHQNIZTKYBHU-UHFFFAOYSA-N 0 0 396.395 3.345 50 0 biogenic GGAARN COc1ccc(-c2nc3s/c(=C/c4ccc(C(C)C)cc4)c(=O)n3n2)cc1 ZINC000000629001 206309450 /nfs/dbraw/zinc/30/94/50/206309450.db2.gz HGXNBKZIPYYROC-LDADJPATSA-N 0 0 377.469 3.498 50 0 GGAARN COc1ccc(C(=O)CSc2nnnn2-c2cc(C)ccc2C)cc1OC ZINC000000625859 206309731 /nfs/dbraw/zinc/30/97/31/206309731.db2.gz RUXNTZXFMZCIRD-UHFFFAOYSA-N 0 0 384.461 3.271 50 0 GGAARN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000000632667 206309923 /nfs/dbraw/zinc/30/99/23/206309923.db2.gz JGLLFSVHTMTVCX-HNNXBMFYSA-N 0 0 381.359 3.190 50 0 GGAARN CC(C)CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 ZINC000000626334 206310009 /nfs/dbraw/zinc/31/00/09/206310009.db2.gz XHSATWIZIRGDNL-UHFFFAOYSA-N 0 0 392.912 3.263 50 0 GGAARN O=C(CSc1nnc2sc3ccccc3n12)Nc1ccc2c(c1)OCCO2 ZINC000000628270 206310033 /nfs/dbraw/zinc/31/00/33/206310033.db2.gz OWSSPUFVKQOQRT-UHFFFAOYSA-N 0 0 398.469 3.446 50 0 GGAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2Br)c1 ZINC000000634150 206310192 /nfs/dbraw/zinc/31/01/92/206310192.db2.gz WMTPVLUWFKPVOZ-UHFFFAOYSA-N 0 0 392.205 3.275 50 0 GGAARN COc1cccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2OC)c1 ZINC000000641419 206310364 /nfs/dbraw/zinc/31/03/64/206310364.db2.gz WNEGVZYPOWJYIS-GOSISDBHSA-N 0 0 383.473 3.135 50 0 GGAARN C[C@@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)CCCC2 ZINC000000633177 206310375 /nfs/dbraw/zinc/31/03/75/206310375.db2.gz LIHHIXKPXVLJLE-OAHLLOKOSA-N 0 0 376.456 3.429 50 0 GGAARN CC[C@H](C)[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N1C(=O)c2ccccc2C1=O ZINC000000637106 206310661 /nfs/dbraw/zinc/31/06/61/206310661.db2.gz JKMGSGBQTHLRBK-SCLBCKFNSA-N 0 0 394.427 3.123 50 0 GGAARN O=C(CN1C(=O)c2cccc3cccc1c23)N1CCN(c2ccc(F)cc2)CC1 ZINC000000639964 206310702 /nfs/dbraw/zinc/31/07/02/206310702.db2.gz FSRUHDZUPSDNLS-UHFFFAOYSA-N 0 0 389.430 3.288 50 0 GGAARN Nc1ccccc1S[C@H]1CC(=O)N(c2cccc(Br)c2)C1=O ZINC000000640457 206310749 /nfs/dbraw/zinc/31/07/49/206310749.db2.gz QBOMLIQGUGBNBM-AWEZNQCLSA-N 0 0 377.263 3.456 50 0 GGAARN c1nc2ccccc2n1Cc1nnc2sc(-c3ccc4c(c3)OCCO4)nn12 ZINC000000641688 206311258 /nfs/dbraw/zinc/31/12/58/206311258.db2.gz PVVBNYUOQXIAPE-UHFFFAOYSA-N 0 0 390.428 3.022 50 0 GGAARN Cc1ccc(NC(=O)NCc2cccnc2)cc1NC(=O)NCc1cccnc1 ZINC000000640614 206311264 /nfs/dbraw/zinc/31/12/64/206311264.db2.gz SLTODDRBYYTAHZ-UHFFFAOYSA-N 0 0 390.447 3.428 50 0 GGAARN Cc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)c(C)c1 ZINC000000646331 206311475 /nfs/dbraw/zinc/31/14/75/206311475.db2.gz XDGFRNSJNCVVFX-GFCCVEGCSA-N 0 0 382.489 3.233 50 0 GGAARN O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc(Cl)c1Cl ZINC000000645890 206311499 /nfs/dbraw/zinc/31/14/99/206311499.db2.gz FTXPESZNOPDPTO-UHFFFAOYSA-N 0 0 399.255 3.167 50 0 GGAARN O=C(Nc1ccc(I)cc1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000000644914 206311547 /nfs/dbraw/zinc/31/15/47/206311547.db2.gz ICABSOCFVPHCRE-CQSZACIVSA-N 0 0 393.180 3.011 50 0 GGAARN CC[C@H](C)OC(=O)c1c2c(sc1NC(=O)c1nc3ncccn3n1)CCCC2 ZINC000000646533 206311885 /nfs/dbraw/zinc/31/18/85/206311885.db2.gz WJTGQIBXOKYUCI-NSHDSACASA-N 0 0 399.476 3.272 50 0 GGAARN O=S(=O)(Nc1ccc(I)cc1)c1ccc(F)cc1 ZINC000000643152 206312273 /nfs/dbraw/zinc/31/22/73/206312273.db2.gz MYPASIFOCGIFMI-UHFFFAOYSA-N 0 0 377.178 3.231 50 0 GGAARN COc1cc(C(=O)N2CCN(c3ccc(C)c(C)c3)CC2)cc(OC)c1OC ZINC000000644522 206312332 /nfs/dbraw/zinc/31/23/32/206312332.db2.gz TYXCKJBDCZXWCW-UHFFFAOYSA-N 0 0 384.476 3.292 50 0 GGAARN COc1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2OC)cc1 ZINC000000644559 206312357 /nfs/dbraw/zinc/31/23/57/206312357.db2.gz JMLRAYFFOBZLHJ-UHFFFAOYSA-N 0 0 376.261 3.489 50 0 GGAARN COc1ccc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C)c1 ZINC000000655223 206312612 /nfs/dbraw/zinc/31/26/12/206312612.db2.gz NMIDDIJUWHINLY-IBGZPJMESA-N 0 0 397.500 3.444 50 0 GGAARN COc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(C)(=O)=O)cc1Cl ZINC000000652584 206312640 /nfs/dbraw/zinc/31/26/40/206312640.db2.gz HQUMGUCMICKJBI-UHFFFAOYSA-N 0 0 396.896 3.370 50 0 GGAARN COc1ccc(N([C@H](C)C(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000000652257 206312926 /nfs/dbraw/zinc/31/29/26/206312926.db2.gz XTWWGECQRGJVQG-GFCCVEGCSA-N 0 0 382.869 3.142 50 0 GGAARN COc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1OC ZINC000000656167 206313018 /nfs/dbraw/zinc/31/30/18/206313018.db2.gz AOKGYWBWRPKUFY-NSHDSACASA-N 0 0 388.489 3.170 50 0 GGAARN Cc1cccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1 ZINC000000652931 206313034 /nfs/dbraw/zinc/31/30/34/206313034.db2.gz GYUWJCCORCCZEE-UHFFFAOYSA-N 0 0 397.294 3.162 50 0 GGAARN Cc1cc(C)n(C(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)n1 ZINC000000656525 206313260 /nfs/dbraw/zinc/31/32/60/206313260.db2.gz GDQOXSBJNVSMBZ-UHFFFAOYSA-N 0 0 377.242 3.406 50 0 GGAARN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NC1CCCC1 ZINC000000655581 206313281 /nfs/dbraw/zinc/31/32/81/206313281.db2.gz GXKPMYXPRSHWON-UHFFFAOYSA-N 0 0 376.453 3.080 50 0 GGAARN CCOC(=O)c1sc(C)c2c1nc(C)n(CC(=O)Nc1ccc(C)cc1)c2=O ZINC000000653323 206313285 /nfs/dbraw/zinc/31/32/85/206313285.db2.gz ZRILRJGCVHTPDO-UHFFFAOYSA-N 0 0 399.472 3.199 50 0 GGAARN COC(=O)c1ccccc1NC(=O)c1cccc(CSc2nncn2C)c1 ZINC000000892520 206331444 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/nfs/dbraw/zinc/27/87/96/207278796.db2.gz CIATZGGBBCFKSW-UHFFFAOYSA-N 0 0 378.480 3.156 50 0 GGAARN COc1ccc(CC[C@@H]2CCCN(C(=O)CSc3nnc(C)o3)C2)cc1 ZINC000012073391 207279299 /nfs/dbraw/zinc/27/92/99/207279299.db2.gz QVTNPSHZHQSVEO-INIZCTEOSA-N 0 0 375.494 3.350 50 0 GGAARN Cc1nnc(-c2cccc(N3CCC(N(C)Cc4nonc4C)CC3)c2)s1 ZINC000023620167 207279310 /nfs/dbraw/zinc/27/93/10/207279310.db2.gz NKPNIPKPOSDQAM-UHFFFAOYSA-N 0 0 384.509 3.306 50 0 GGAARN CN(Cc1cnn(C)c1)Cc1ccc(-c2nc(-c3ccoc3)cc(=O)[nH]2)cc1 ZINC000023620034 207279718 /nfs/dbraw/zinc/27/97/18/207279718.db2.gz BDUFOTGQVUQPFV-UHFFFAOYSA-N 0 0 375.432 3.062 50 0 GGAARN COc1ccccc1-c1ncc(-c2nc3c[nH]n(Cc4cccnc4)c-3n2)cn1 ZINC000023581984 207280606 /nfs/dbraw/zinc/28/06/06/207280606.db2.gz MTQDYRNTGUJSJL-UHFFFAOYSA-N 0 0 383.415 3.335 50 0 GGAARN COc1cc2c(cc1OC)CN(C(=O)c1cccc(Nc3ncccn3)c1)CC2 ZINC000024973004 207298087 /nfs/dbraw/zinc/29/80/87/207298087.db2.gz YPCOSBINMUCVDO-UHFFFAOYSA-N 0 0 390.443 3.436 50 0 biogenic GGAARN CC(C)c1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)s1 ZINC000024283386 207290182 /nfs/dbraw/zinc/29/01/82/207290182.db2.gz CGOAIIUPVNWKMD-GFCCVEGCSA-N 0 0 378.885 3.302 50 0 GGAARN CCCCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000024610332 207293619 /nfs/dbraw/zinc/29/36/19/207293619.db2.gz YFUWAHQBYQDCME-UHFFFAOYSA-N 0 0 386.945 3.188 50 0 GGAARN O=C(Nc1c(F)cccc1F)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000024606443 207293697 /nfs/dbraw/zinc/29/36/97/207293697.db2.gz HUWMDPDIKJOLID-NSHDSACASA-N 0 0 386.445 3.066 50 0 GGAARN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NC(C(C)C)C(C)C)CC2)c1 ZINC000024611728 207293813 /nfs/dbraw/zinc/29/38/13/207293813.db2.gz SKFSBMTYPBTGGA-UHFFFAOYSA-N 0 0 394.581 3.334 50 0 GGAARN Cc1cc(C(=O)N2CCN(C3=NN=C(c4ccccc4)CS3)CC2)c(C)o1 ZINC000038489213 207306791 /nfs/dbraw/zinc/30/67/91/207306791.db2.gz RMPAGFGYXSXUGP-UHFFFAOYSA-N 0 0 382.489 3.161 50 0 GGAARN Cn1c(=O)c2sccc2nc1SCC(=O)NCc1ccc(Cl)cc1 ZINC000026099102 207308667 /nfs/dbraw/zinc/30/86/67/207308667.db2.gz 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COc1ccc(Cl)cc1NC(=O)N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O ZINC000038680176 207315272 /nfs/dbraw/zinc/31/52/72/207315272.db2.gz PXBZTOVDDVDYCZ-AAEUAGOBSA-N 0 0 397.884 3.477 50 0 GGAARN O=C1Cc2cc(NS(=O)(=O)Cc3ccccc3Cl)cc3c2N1CCC3 ZINC000038681489 207315412 /nfs/dbraw/zinc/31/54/12/207315412.db2.gz DZVWZOOMZDDTCF-UHFFFAOYSA-N 0 0 376.865 3.117 50 0 GGAARN O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccccc1C(F)(F)F ZINC000038679769 207315440 /nfs/dbraw/zinc/31/54/40/207315440.db2.gz RXXUIOPSZPWCRO-CHWSQXEVSA-N 0 0 386.395 3.442 50 0 GGAARN CCOc1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 ZINC000038726581 207316316 /nfs/dbraw/zinc/31/63/16/207316316.db2.gz INZLZVYDWXXAQU-LEWJYISDSA-N 0 0 396.462 3.313 50 0 GGAARN CCOc1ccc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)cc1 ZINC000038726576 207316431 /nfs/dbraw/zinc/31/64/31/207316431.db2.gz INZLZVYDWXXAQU-RTWAWAEBSA-N 0 0 396.462 3.313 50 0 GGAARN O=C(c1ccc2ncsc2c1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000038728740 207316781 /nfs/dbraw/zinc/31/67/81/207316781.db2.gz CXXICWDAFHNKMQ-ROUUACIJSA-N 0 0 391.496 3.384 50 0 GGAARN CCCS(=O)(=O)N1CCc2ccc(NC(=O)Nc3cccs3)cc2C1 ZINC000038714663 207316867 /nfs/dbraw/zinc/31/68/67/207316867.db2.gz ZZSLACGICMUKQL-UHFFFAOYSA-N 0 0 379.507 3.490 50 0 GGAARN CC(C)=C[C@@H]1[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)C1(C)C ZINC000027664068 207329198 /nfs/dbraw/zinc/32/91/98/207329198.db2.gz WPTBSJDZLKUTAU-QRVBRYPASA-N 0 0 375.534 3.441 50 0 GGAARN CCCCS(=O)(=O)c1nnc(NC(=O)c2ccc(OC(C)C)cc2)s1 ZINC000027748993 207329595 /nfs/dbraw/zinc/32/95/95/207329595.db2.gz VXCCCRVOBRKUJC-UHFFFAOYSA-N 0 0 383.495 3.151 50 0 GGAARN COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1Cl ZINC000027747788 207329870 /nfs/dbraw/zinc/32/98/70/207329870.db2.gz ZORXUKINJBUQQX-HNNXBMFYSA-N 0 0 380.897 3.213 50 0 GGAARN COc1cccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)c1 ZINC000027749240 207331034 /nfs/dbraw/zinc/33/10/34/207331034.db2.gz VSWQYYCPJSBXOJ-OAQYLSRUSA-N 0 0 393.443 3.027 50 0 GGAARN COc1cc(S(=O)(=O)N2CCc3ccccc32)c(OC)cc1Br ZINC000027823751 207331406 /nfs/dbraw/zinc/33/14/06/207331406.db2.gz VRWAQOOPGMYCRA-UHFFFAOYSA-N 0 0 398.278 3.218 50 0 GGAARN Cc1nonc1CN1CCN(C(=O)c2oc3cc(C)c(Cl)cc3c2C)CC1 ZINC000027985682 207333311 /nfs/dbraw/zinc/33/33/11/207333311.db2.gz MAUVTQVEDVUPRG-UHFFFAOYSA-N 0 0 388.855 3.352 50 0 GGAARN CCS(=O)(=O)c1ncc(Cl)c(-c2nnc(-c3ccccc3Cl)o2)n1 ZINC000027993296 207333524 /nfs/dbraw/zinc/33/35/24/207333524.db2.gz OZPQMXIKAWWJIO-UHFFFAOYSA-N 0 0 385.232 3.294 50 0 GGAARN Cc1ccc(OCC(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000028614063 207345578 /nfs/dbraw/zinc/34/55/78/207345578.db2.gz DQDQYZGTLCADOB-UHFFFAOYSA-N 0 0 396.212 3.457 50 0 GGAARN CCc1ccc2oc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)cc(=O)c2c1 ZINC000028290017 207339860 /nfs/dbraw/zinc/33/98/60/207339860.db2.gz KBXKGHIJYIDYIT-NSHDSACASA-N 0 0 378.384 3.327 50 0 GGAARN COc1ccc(CN2C[C@@H](C(=O)Nc3cc(Cl)ccc3OC)CC2=O)cc1 ZINC000028404978 207342097 /nfs/dbraw/zinc/34/20/97/207342097.db2.gz 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207372053 /nfs/dbraw/zinc/37/20/53/207372053.db2.gz GVDMAUSWPNOVSV-CQSZACIVSA-N 0 0 392.377 3.383 50 0 GGAARN O=C(Cc1csc(-n2cccc2)n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000030819440 207376265 /nfs/dbraw/zinc/37/62/65/207376265.db2.gz GRWCMNUFBTWEAZ-UHFFFAOYSA-N 0 0 386.908 3.479 50 0 GGAARN O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)Nc1cccc(OC(F)(F)F)c1 ZINC000030937491 207377337 /nfs/dbraw/zinc/37/73/37/207377337.db2.gz SYPUAFMRNPUKLG-CQSZACIVSA-N 0 0 390.321 3.111 50 0 GGAARN O=C(NCc1ccc(F)cc1)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955657 207377453 /nfs/dbraw/zinc/37/74/53/207377453.db2.gz REWQQWFQSISOJA-UHFFFAOYSA-N 0 0 394.450 3.404 50 0 GGAARN COc1ccc(CNC(=O)CCCc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000031482640 207382111 /nfs/dbraw/zinc/38/21/11/207382111.db2.gz IKXSBHSPPVPTPL-UHFFFAOYSA-N 0 0 381.432 3.393 50 0 GGAARN CCOC(=O)c1cc(Cn2c(=O)cc(C(=O)OCC)c3ccccc32)c(C)o1 ZINC000030952812 207378792 /nfs/dbraw/zinc/37/87/92/207378792.db2.gz VLYIDXCJCNAQFK-UHFFFAOYSA-N 0 0 383.400 3.305 50 0 GGAARN CCOC(=O)[C@@H](NC(=O)c1ccccc1)c1nnc(Nc2ccccc2)s1 ZINC000032593935 207397213 /nfs/dbraw/zinc/39/72/13/207397213.db2.gz WNZBQMNPZRBLQN-HNNXBMFYSA-N 0 0 382.445 3.316 50 0 GGAARN O=S(=O)(CCCc1ccccc1)NCCc1csc(-c2cccnc2)n1 ZINC000031773230 207385199 /nfs/dbraw/zinc/38/51/99/207385199.db2.gz RESUDARLEUPHQG-UHFFFAOYSA-N 0 0 387.530 3.300 50 0 GGAARN CCc1ccc2oc(C(=O)NCCc3nc(-c4ccccc4)no3)cc(=O)c2c1 ZINC000032593737 207397322 /nfs/dbraw/zinc/39/73/22/207397322.db2.gz SQEMVISFHIKOJE-UHFFFAOYSA-N 0 0 389.411 3.378 50 0 GGAARN CC(C)N1CN=C2N[C@H](c3ccc(F)cc3F)n3c4ccccc4nc3N2C1 ZINC000031807959 207385899 /nfs/dbraw/zinc/38/58/99/207385899.db2.gz KVFADNLFNHZFKG-SFHVURJKSA-N 0 0 382.418 3.266 50 0 GGAARN COC(=O)c1cc2c(ccn(CCc3c[nH]c4ccc(OC)cc34)c2=O)nc1C ZINC000038784242 207386194 /nfs/dbraw/zinc/38/61/94/207386194.db2.gz MDUHORXJKIXDIO-UHFFFAOYSA-N 0 0 391.427 3.224 50 0 biogenic GGAARN COc1ccc2c(c1OC)C(=O)O[C@H]2N1CCN(c2cccc(Cl)c2)CC1 ZINC000031818607 207386203 /nfs/dbraw/zinc/38/62/03/207386203.db2.gz LRMVABPRACGDFG-LJQANCHMSA-N 0 0 388.851 3.348 50 0 GGAARN CCOC(=O)Cc1csc(NC(=O)Cn2ccc3ccc(Cl)cc32)n1 ZINC000031812505 207386227 /nfs/dbraw/zinc/38/62/27/207386227.db2.gz IFZFWKFUCCEBIF-UHFFFAOYSA-N 0 0 377.853 3.496 50 0 GGAARN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@H](c1ccc(F)cc1Cl)CC(=O)N2 ZINC000031808666 207386300 /nfs/dbraw/zinc/38/63/00/207386300.db2.gz CYQNVXRIWKKWQG-NSHDSACASA-N 0 0 397.801 3.114 50 0 GGAARN O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000031820477 207386311 /nfs/dbraw/zinc/38/63/11/207386311.db2.gz GENLJAYNNUZGPK-LJQANCHMSA-N 0 0 384.867 3.160 50 0 GGAARN CC(C)N1CN=C2N[C@@H](c3ccc(F)cc3F)n3c4ccccc4nc3N2C1 ZINC000031807954 207386384 /nfs/dbraw/zinc/38/63/84/207386384.db2.gz KVFADNLFNHZFKG-GOSISDBHSA-N 0 0 382.418 3.266 50 0 GGAARN O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000031812803 207386578 /nfs/dbraw/zinc/38/65/78/207386578.db2.gz SVBBGQFUNLNQTE-SECBINFHSA-N 0 0 380.832 3.200 50 0 GGAARN O=C(NCc1cccc(F)c1)c1nc(-c2ccc(Cn3ccnc3)cc2)no1 ZINC000031809763 207386654 /nfs/dbraw/zinc/38/66/54/207386654.db2.gz VGQAYSRBQNSOEN-UHFFFAOYSA-N 0 0 377.379 3.051 50 0 GGAARN CC(=O)c1cn(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc12 ZINC000031811380 207386720 /nfs/dbraw/zinc/38/67/20/207386720.db2.gz QKXCBSDMIXFKSQ-UHFFFAOYSA-N 0 0 375.472 3.188 50 0 GGAARN Cc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc(C)cc2C)C(=O)N3)cc1 ZINC000031814208 207386945 /nfs/dbraw/zinc/38/69/45/207386945.db2.gz WKOHJJVBXGWAEK-QGZVFWFLSA-N 0 0 375.432 3.392 50 0 GGAARN CCOC(=O)Cc1csc(NC(=O)Cn2ccc3cc(Cl)ccc32)n1 ZINC000031813387 207386985 /nfs/dbraw/zinc/38/69/85/207386985.db2.gz ADGSOCJPUDKTNG-UHFFFAOYSA-N 0 0 377.853 3.496 50 0 GGAARN Cc1ccccc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 ZINC000031817142 207387069 /nfs/dbraw/zinc/38/70/69/207387069.db2.gz VIYKFRVYJFBOOQ-HNNXBMFYSA-N 0 0 381.823 3.429 50 0 GGAARN COc1cc2oc(=O)c(CC(=O)Nc3nnc(C)s3)c(C)c2cc1Cl ZINC000031815857 207387462 /nfs/dbraw/zinc/38/74/62/207387462.db2.gz WWWIFNUVSXQHLF-UHFFFAOYSA-N 0 0 379.825 3.105 50 0 GGAARN COc1ccc(-c2cc(C(=O)NCCc3nc(-c4ccccc4)no3)no2)cc1 ZINC000032593811 207397429 /nfs/dbraw/zinc/39/74/29/207397429.db2.gz BDKSHNNBKFBUSX-UHFFFAOYSA-N 0 0 390.399 3.373 50 0 GGAARN COc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2ccc(OC(C)C)cc2)nn1 ZINC000032072078 207388074 /nfs/dbraw/zinc/38/80/74/207388074.db2.gz VXLFWBVJKPETAN-MRXNPFEDSA-N 0 0 393.447 3.241 50 0 GGAARN O=C(NCc1cccc(Cl)c1)c1cc(-n2cnnn2)ccc1Br ZINC000032069842 207388243 /nfs/dbraw/zinc/38/82/43/207388243.db2.gz LQYXDMCMYBYYBN-UHFFFAOYSA-N 0 0 392.644 3.008 50 0 GGAARN COc1ccccc1-n1cnc2cc(C(=O)NC3CCCCC3)ccc2c1=O ZINC000032072859 207388828 /nfs/dbraw/zinc/38/88/28/207388828.db2.gz MXYZFIZSLIYRFK-UHFFFAOYSA-N 0 0 377.444 3.457 50 0 GGAARN O=C(Nc1ccc2oc(=O)ccc2c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000032073233 207389636 /nfs/dbraw/zinc/38/96/36/207389636.db2.gz ATYJYBBBLUXJEA-ZDUSSCGKSA-N 0 0 382.803 3.438 50 0 GGAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCc4ccccc43)nn1C)C2 ZINC000032071004 207389712 /nfs/dbraw/zinc/38/97/12/207389712.db2.gz RRCARITURMCRDS-UHFFFAOYSA-N 0 0 375.428 3.211 50 0 GGAARN CCN(CCO)c1nc2sc(C)c(C)c2c2nc(Cc3ccccc3)nn21 ZINC000032073431 207390058 /nfs/dbraw/zinc/39/00/58/207390058.db2.gz OHVMOOLXSLHHPQ-UHFFFAOYSA-N 0 0 381.505 3.365 50 0 GGAARN C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)NCc1ccco1 ZINC000032096086 207390116 /nfs/dbraw/zinc/39/01/16/207390116.db2.gz KALRDYTXXDVVBX-ZDUSSCGKSA-N 0 0 394.456 3.115 50 0 GGAARN COc1cccc(N2CCN(C(=O)Cn3cc(C(C)=O)c4ccccc43)CC2)c1 ZINC000032087547 207390383 /nfs/dbraw/zinc/39/03/83/207390383.db2.gz MWYBDJJIHIILKX-UHFFFAOYSA-N 0 0 391.471 3.201 50 0 GGAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(F)c(F)c1)CC(=O)N2 ZINC000032090300 207390561 /nfs/dbraw/zinc/39/05/61/207390561.db2.gz YQWFUJNTZQENAT-SNVBAGLBSA-N 0 0 375.766 3.376 50 0 GGAARN CNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1Cc1cc(OC)c(OC)cc1-2 ZINC000032095365 207390660 /nfs/dbraw/zinc/39/06/60/207390660.db2.gz QOZKDGYPTGJRLQ-UHFFFAOYSA-N 0 0 383.835 3.474 50 0 GGAARN COc1ccc(-n2cnc3cc(C(=O)NCc4ccccc4)ccc3c2=O)cc1 ZINC000032095005 207391403 /nfs/dbraw/zinc/39/14/03/207391403.db2.gz JJLMCMGUKYKIGB-UHFFFAOYSA-N 0 0 385.423 3.324 50 0 GGAARN COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnc(-c3ccc(O)cc3)o1)C2 ZINC000032092716 207391509 /nfs/dbraw/zinc/39/15/09/207391509.db2.gz XIYSZSDMWPHASR-INIZCTEOSA-N 0 0 384.413 3.359 50 0 GGAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(c2ccc3nncn3n2)C1 ZINC000032090990 207391529 /nfs/dbraw/zinc/39/15/29/207391529.db2.gz FQUAJOVEAGXBPM-LLVKDONJSA-N 0 0 391.262 3.286 50 0 GGAARN COCCCN1C(=O)c2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc2C1=O ZINC000032092712 207391692 /nfs/dbraw/zinc/39/16/92/207391692.db2.gz MWYDRPDRNZXGJX-UHFFFAOYSA-N 0 0 377.400 3.053 50 0 GGAARN Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)n1 ZINC000032097207 207392443 /nfs/dbraw/zinc/39/24/43/207392443.db2.gz VHQSKEBHFBLGIY-SNVBAGLBSA-N 0 0 380.267 3.206 50 0 GGAARN Cc1cc(C)c2c(n1)oc1c2ncn(CC(=O)Nc2ccc(Cl)cc2)c1=O ZINC000032101023 207392776 /nfs/dbraw/zinc/39/27/76/207392776.db2.gz CCNXQEOPNQTVGR-UHFFFAOYSA-N 0 0 382.807 3.447 50 0 GGAARN CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc4nncn4n3)C2)cc1 ZINC000032105188 207393221 /nfs/dbraw/zinc/39/32/21/207393221.db2.gz GNBVCPDYUDMHII-OAHLLOKOSA-N 0 0 378.480 3.277 50 0 GGAARN CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc3cc[nH]c3c2)C2CC2)cc1 ZINC000032102399 207393277 /nfs/dbraw/zinc/39/32/77/207393277.db2.gz HRAOCGSOBGZFHE-UHFFFAOYSA-N 0 0 397.500 3.223 50 0 GGAARN Cc1nnc2ccc(N3CCC[C@@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)nn12 ZINC000032105881 207393702 /nfs/dbraw/zinc/39/37/02/207393702.db2.gz RLLAHKYFWMYNQE-GFCCVEGCSA-N 0 0 388.834 3.080 50 0 GGAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)no2)cc1 ZINC000032593413 207397733 /nfs/dbraw/zinc/39/77/33/207397733.db2.gz RWNPXFIDNRRLCU-UHFFFAOYSA-N 0 0 393.399 3.348 50 0 GGAARN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000032346236 207394857 /nfs/dbraw/zinc/39/48/57/207394857.db2.gz QEAANICREDFVPD-GOSISDBHSA-N 0 0 381.476 3.374 50 0 GGAARN O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2cc[nH]c2c1 ZINC000032124317 207394918 /nfs/dbraw/zinc/39/49/18/207394918.db2.gz XKHLLRWGZWYCGQ-UHFFFAOYSA-N 0 0 390.443 3.370 50 0 biogenic GGAARN Cc1ccc2c(=O)cc(C(=O)NCCc3nc(-c4ccccc4)no3)oc2c1 ZINC000032593861 207396727 /nfs/dbraw/zinc/39/67/27/207396727.db2.gz MZRPGTDIMKQXRS-UHFFFAOYSA-N 0 0 375.384 3.124 50 0 GGAARN COC(=O)[C@H](NC(=O)c1ccc(C)cc1)c1nnc(Nc2ccccc2)s1 ZINC000032593940 207396817 /nfs/dbraw/zinc/39/68/17/207396817.db2.gz DTVIQKKSFXNUSD-OAHLLOKOSA-N 0 0 382.445 3.234 50 0 GGAARN CSc1ccc(CNC(=O)N2CCN(CCOc3ccccc3)CC2)cc1 ZINC000426552168 532954041 /nfs/dbraw/zinc/95/40/41/532954041.db2.gz ZLBIAESBRJJHSW-UHFFFAOYSA-N 0 0 385.533 3.315 50 0 GGAARN O=C(Nc1ccnc2ccc(F)cc21)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000032608224 207398695 /nfs/dbraw/zinc/39/86/95/207398695.db2.gz DSMXDVKWCPNRBI-UHFFFAOYSA-N 0 0 385.420 3.067 50 0 GGAARN CCc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3)c2N)cc1 ZINC000033171854 207443231 /nfs/dbraw/zinc/44/32/31/207443231.db2.gz RZFHZUKSKPMQIK-UHFFFAOYSA-N 0 0 394.500 3.148 50 0 GGAARN CCCc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(OC)c(OC)c2)no1 ZINC000033270291 207448305 /nfs/dbraw/zinc/44/83/05/207448305.db2.gz VUZRQNDXTBODKW-INIZCTEOSA-N 0 0 380.466 3.170 50 0 GGAARN Cc1ccc(-c2nsc3c2ncn(CC(=O)Nc2ccccc2)c3=O)cc1 ZINC000033300052 207450869 /nfs/dbraw/zinc/45/08/69/207450869.db2.gz NDQHPARTHANOAK-UHFFFAOYSA-N 0 0 376.441 3.467 50 0 GGAARN O=C(NCc1ccccn1)[C@H]1CCCN(c2ncnc3c4ccccc4oc32)C1 ZINC000033290524 207451364 /nfs/dbraw/zinc/45/13/64/207451364.db2.gz QYBYOWUJAMJBKZ-HNNXBMFYSA-N 0 0 387.443 3.304 50 0 GGAARN COCCN1CCN(C(=O)c2ccc(-c3ccc4ccccc4n3)cc2)CC1 ZINC000426412832 532960810 /nfs/dbraw/zinc/96/08/10/532960810.db2.gz XIQBQMALNJRMPY-UHFFFAOYSA-N 0 0 375.472 3.306 50 0 GGAARN O=C(Cc1csc(COc2ccccc2)n1)NCc1ccc2c(c1)OCO2 ZINC000033326158 207456349 /nfs/dbraw/zinc/45/63/49/207456349.db2.gz BAJMAQQZYGZTJP-UHFFFAOYSA-N 0 0 382.441 3.310 50 0 GGAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000033325606 207456439 /nfs/dbraw/zinc/45/64/39/207456439.db2.gz QHUQVCAHPRCRGC-SFHVURJKSA-N 0 0 395.484 3.470 50 0 GGAARN Cc1cc(C)n(-c2nc3sc4c(c3c(N3CCOCC3)n2)C[C@@H](C)CC4)n1 ZINC000034789399 207475682 /nfs/dbraw/zinc/47/56/82/207475682.db2.gz JQEHOEPAFXLQNU-LBPRGKRZSA-N 0 0 383.521 3.455 50 0 GGAARN CC1=Nc2nnnn2[C@H](c2cccc(Br)c2)C1C(=O)OC(C)(C)C ZINC000035147963 207484588 /nfs/dbraw/zinc/48/45/88/207484588.db2.gz NFYROIJBPVFMBI-CYBMUJFWSA-N 0 0 392.257 3.066 50 0 GGAARN Cc1c(C(=O)Nc2ccc(C(N)=O)cc2)sc2ncn(C3CCCC3)c(=O)c12 ZINC000035672955 207497843 /nfs/dbraw/zinc/49/78/43/207497843.db2.gz FLHVPILWGZXOEL-UHFFFAOYSA-N 0 0 396.472 3.233 50 0 GGAARN CCCn1nc(C)cc1-c1nn2c(nnc2-c2ccc(OC)c(OC)c2)s1 ZINC000036356974 207524288 /nfs/dbraw/zinc/52/42/88/207524288.db2.gz CKBHVWUJZXGDDH-UHFFFAOYSA-N 0 0 384.465 3.452 50 0 GGAARN COc1ccccc1CCNC(=O)c1c2cnn(C(C)C)c2nc2c1CCC2 ZINC000036357046 207524382 /nfs/dbraw/zinc/52/43/82/207524382.db2.gz DBIJZHWJXBASMD-UHFFFAOYSA-N 0 0 378.476 3.482 50 0 GGAARN CC(C)c1cc2c(nc(CSCCNC(=O)c3cccnc3)[nH]c2=O)s1 ZINC000036352700 207524394 /nfs/dbraw/zinc/52/43/94/207524394.db2.gz JYYQDEBOYPYLSQ-UHFFFAOYSA-N 0 0 388.518 3.166 50 0 GGAARN Cc1cnc(NC(=O)CSCc2nc3sc(C)c(C)c3c(=O)[nH]2)s1 ZINC000036357717 207524811 /nfs/dbraw/zinc/52/48/11/207524811.db2.gz OMXCUUZTUMSFGC-UHFFFAOYSA-N 0 0 380.520 3.238 50 0 GGAARN COc1ccc(-c2nnsc2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000036359306 207526333 /nfs/dbraw/zinc/52/63/33/207526333.db2.gz GQKAGPVYVSQLLZ-UHFFFAOYSA-N 0 0 399.472 3.203 50 0 GGAARN Cc1nn(C(F)F)c(C)c1S(=O)(=O)NCc1csc(-c2ccccc2)n1 ZINC000036615193 207531637 /nfs/dbraw/zinc/53/16/37/207531637.db2.gz NWGIWIIHMOCABY-UHFFFAOYSA-N 0 0 398.460 3.497 50 0 GGAARN Cc1cc(C(F)(F)F)nn1C[C@@H](C)CNC(=O)c1nc(-c2cccs2)no1 ZINC000036612480 207531703 /nfs/dbraw/zinc/53/17/03/207531703.db2.gz VKYHJDJZGXDYHL-VIFPVBQESA-N 0 0 399.398 3.388 50 0 GGAARN CCc1cccc(NC(=O)CC[C@H]2NC(=O)N(CCc3ccccc3)C2=O)c1 ZINC000036601849 207532200 /nfs/dbraw/zinc/53/22/00/207532200.db2.gz HCCWNLSYZSHHJU-LJQANCHMSA-N 0 0 379.460 3.335 50 0 GGAARN Cc1nn(C)c(C)c1CNC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 ZINC000036611671 207532283 /nfs/dbraw/zinc/53/22/83/207532283.db2.gz LNFLIEBVUDRLJA-UHFFFAOYSA-N 0 0 388.475 3.318 50 0 GGAARN COc1ccc(C)cc1NC(=O)CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000036593371 207532359 /nfs/dbraw/zinc/53/23/59/207532359.db2.gz CKYMLQRIFPWPGF-MRXNPFEDSA-N 0 0 381.432 3.047 50 0 GGAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc2ncccn2n1 ZINC000036611682 207532625 /nfs/dbraw/zinc/53/26/25/207532625.db2.gz QETAIZLZUCADHR-UHFFFAOYSA-N 0 0 377.791 3.261 50 0 GGAARN COc1ccc(CNC(=O)NC[C@H](O)c2cccc3ccccc32)cc1OC ZINC000070636313 207537962 /nfs/dbraw/zinc/53/79/62/207537962.db2.gz IYEKHJGNCJXVRB-IBGZPJMESA-N 0 0 380.444 3.390 50 0 GGAARN COc1c(C)cc(S(=O)(=O)NC[C@@H](O)c2cccc3ccccc32)cc1C ZINC000070636157 207538256 /nfs/dbraw/zinc/53/82/56/207538256.db2.gz WNKKRTXLELLBKF-HXUWFJFHSA-N 0 0 385.485 3.477 50 0 GGAARN COc1cc(OC)c(OC)cc1/C=C1\CC(=O)N(CCc2ccccc2)C1=O ZINC000070666509 207539715 /nfs/dbraw/zinc/53/97/15/207539715.db2.gz RDNFLBBKZDNQDG-GZTJUZNOSA-N 0 0 381.428 3.097 50 0 biogenic GGAARN C[C@H](Oc1ccccc1Cl)C(=O)NCCn1cnc(-c2ccccc2)cc1=O ZINC000070655819 207539856 /nfs/dbraw/zinc/53/98/56/207539856.db2.gz FFGGMBTYCZPZHY-HNNXBMFYSA-N 0 0 397.862 3.147 50 0 GGAARN COc1cccc2cc(C(=O)NCCn3cnc(-c4ccccc4)cc3=O)oc21 ZINC000070655827 207540344 /nfs/dbraw/zinc/54/03/44/207540344.db2.gz FBHVEICICQHJEB-UHFFFAOYSA-N 0 0 389.411 3.095 50 0 GGAARN O=S(=O)(NC[C@@](O)(c1ccccc1)C1CC1)c1ccccc1Br ZINC000070968257 207541403 /nfs/dbraw/zinc/54/14/03/207541403.db2.gz BYJAWDDEWRJPNP-QGZVFWFLSA-N 0 0 396.306 3.025 50 0 GGAARN COc1cccc2sc(N(C)CC(=O)N3CCn4c5ccccc5nc43)nc21 ZINC000070973067 207542058 /nfs/dbraw/zinc/54/20/58/207542058.db2.gz IKDXAVDCTNKHME-UHFFFAOYSA-N 0 0 393.472 3.138 50 0 GGAARN Cc1nc2cc(NC(=O)C3CN(C(=O)COc4ccccc4F)C3)ccc2s1 ZINC000070815132 207542728 /nfs/dbraw/zinc/54/27/28/207542728.db2.gz ZRESWIIUYVNXDQ-UHFFFAOYSA-N 0 0 399.447 3.220 50 0 GGAARN O=S(=O)(NC[C@@](O)(c1cccs1)C1CC1)c1ccc(F)c(Cl)c1 ZINC000077099514 207550677 /nfs/dbraw/zinc/55/06/77/207550677.db2.gz GZCUEAIRCXFHLH-HNNXBMFYSA-N 0 0 375.874 3.117 50 0 GGAARN Cc1cccc2sc(OC3CN(S(=O)(=O)c4cccc(F)c4)C3)nc21 ZINC000077101055 207553425 /nfs/dbraw/zinc/55/34/25/207553425.db2.gz CXPPURNQIIBPMQ-UHFFFAOYSA-N 0 0 378.450 3.196 50 0 GGAARN O=C(NCC1CCN(C(=O)c2ccoc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000077099718 207553606 /nfs/dbraw/zinc/55/36/06/207553606.db2.gz GIJAIONOMRDCME-UHFFFAOYSA-N 0 0 396.365 3.460 50 0 GGAARN CCOc1ccccc1NC(=O)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 ZINC000077100377 207553763 /nfs/dbraw/zinc/55/37/63/207553763.db2.gz BHLKLUYWNQGRIR-UHFFFAOYSA-N 0 0 377.326 3.332 50 0 GGAARN Cc1ccccc1NC(=O)N1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 ZINC000077100610 207553775 /nfs/dbraw/zinc/55/37/75/207553775.db2.gz XKQVZOUDNFKGRW-QGZVFWFLSA-N 0 0 391.475 3.291 50 0 GGAARN O=C(c1cnc2ccccc2n1)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 ZINC000077197824 207554928 /nfs/dbraw/zinc/55/49/28/207554928.db2.gz 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/nfs/dbraw/zinc/07/51/60/208075160.db2.gz ZIAQOHQZRZBMRX-UHFFFAOYSA-N 0 0 397.508 3.095 50 0 GGAARN COC(=O)CC1CCN(C(=O)c2cc(-c3ccccc3Cl)nn2C)CC1 ZINC000079493283 208075200 /nfs/dbraw/zinc/07/52/00/208075200.db2.gz VCJZPPWPVLEHSO-UHFFFAOYSA-N 0 0 375.856 3.156 50 0 GGAARN COc1ccc(-c2ccc(=O)n(CN3CC[C@H](c4ccccc4)C3)n2)cc1OC ZINC000079482251 208075843 /nfs/dbraw/zinc/07/58/43/208075843.db2.gz DZIBZCSLJKCWES-IBGZPJMESA-N 0 0 391.471 3.375 50 0 GGAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC(=O)OC)C12CCCC2 ZINC000079482505 208075887 /nfs/dbraw/zinc/07/58/87/208075887.db2.gz CWOMXMAMTDTLQA-IBGZPJMESA-N 0 0 386.492 3.018 50 0 GGAARN COCCn1ccc2c1cccc2C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000079490802 208075923 /nfs/dbraw/zinc/07/59/23/208075923.db2.gz LHHVGPAMZATXQL-UHFFFAOYSA-N 0 0 377.488 3.246 50 0 GGAARN O=C(Cn1cc(-c2ccc(CO)cc2)cn1)Nc1ccnn1C[C@H]1CC=CCC1 ZINC000082039471 208076736 /nfs/dbraw/zinc/07/67/36/208076736.db2.gz WECBIBTVZKRDGZ-KRWDZBQOSA-N 0 0 391.475 3.234 50 0 GGAARN CC(=O)N1CC2(C[C@H]1C(=O)[O-])CC[NH+](Cc1ccc(CC(C)C)s1)CC2 ZINC000082083575 208077002 /nfs/dbraw/zinc/07/70/02/208077002.db2.gz ZVDLYXOFGFRWPS-SFHVURJKSA-N 0 0 378.538 3.234 50 0 GGAARN COc1ccc(-c2nn3c(nnc3-c3cc(CC(C)C)nn3C)s2)c(OC)c1 ZINC000079501847 208077354 /nfs/dbraw/zinc/07/73/54/208077354.db2.gz LEEZYJRMGGSPIT-UHFFFAOYSA-N 0 0 398.492 3.469 50 0 GGAARN COC(=O)c1ccc(-c2ccc(-c3nccn3[C@H]3CCC(=O)N(C)C3)o2)cc1 ZINC000082083906 208077694 /nfs/dbraw/zinc/07/76/94/208077694.db2.gz LITQRWAQFQJKRE-INIZCTEOSA-N 0 0 379.416 3.390 50 0 GGAARN O=C(CCn1ccc2ccc(Cl)cc21)NCCCc1nnc2ccccn21 ZINC000079501965 208077955 /nfs/dbraw/zinc/07/79/55/208077955.db2.gz HOAYSIZWOOTFSU-UHFFFAOYSA-N 0 0 381.867 3.477 50 0 GGAARN CSc1nnc(CC2CCN(C(=O)CSc3ccccc3)CC2)n1C ZINC000082108406 208079127 /nfs/dbraw/zinc/07/91/27/208079127.db2.gz BVAHQNBXAHQRJB-UHFFFAOYSA-N 0 0 376.551 3.110 50 0 GGAARN O=C(c1n[nH]c2c1CCC2)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 ZINC000082108951 208079647 /nfs/dbraw/zinc/07/96/47/208079647.db2.gz 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395.484 3.315 50 0 GGAARN Cc1nccn1-c1cc(NCCNC(=O)c2ccc(-c3ccccc3)cc2)ncn1 ZINC000082230313 208085319 /nfs/dbraw/zinc/08/53/19/208085319.db2.gz PJOMHMNAFUIDRO-UHFFFAOYSA-N 0 0 398.470 3.480 50 0 GGAARN CC(C)n1ccc2c1cccc2NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000085875182 208103301 /nfs/dbraw/zinc/10/33/01/208103301.db2.gz NHKHSMLLBQQZHX-SFHVURJKSA-N 0 0 390.443 3.302 50 0 biogenic GGAARN Cc1cccc(C(=O)N2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)c1O ZINC000091562922 208122114 /nfs/dbraw/zinc/12/21/14/208122114.db2.gz FDMFEXFEZDGXAV-UHFFFAOYSA-N 0 0 393.487 3.141 50 0 GGAARN O=C(CCCOc1ccccc1)N1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000091518751 208122775 /nfs/dbraw/zinc/12/27/75/208122775.db2.gz GKSRCLGMUKOQDX-QHCPKHFHSA-N 0 0 384.520 3.487 50 0 GGAARN Cc1ccc(-c2ncc(C(=O)N(C)Cc3nc4cc(C)ccc4[nH]3)c(=O)[nH]2)cc1 ZINC000091548117 208122815 /nfs/dbraw/zinc/12/28/15/208122815.db2.gz UFQSXFBADZMXBU-UHFFFAOYSA-N 0 0 387.443 3.202 50 0 GGAARN CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000091526740 208122968 /nfs/dbraw/zinc/12/29/68/208122968.db2.gz NNVPQNMEASXHQJ-MRXNPFEDSA-N 0 0 398.482 3.355 50 0 GGAARN O=C(c1ccc(Cn2ccnc2)o1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000091563522 208123316 /nfs/dbraw/zinc/12/33/16/208123316.db2.gz GSEACKKMNYCYDS-UHFFFAOYSA-N 0 0 384.867 3.136 50 0 GGAARN CCCc1nnsc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000091518791 208124039 /nfs/dbraw/zinc/12/40/39/208124039.db2.gz JMPWJKVMXKJREP-FQEVSTJZSA-N 0 0 392.569 3.382 50 0 GGAARN COc1cccc(-c2n[nH]cc2C(=O)NCc2cc(-c3cccnc3)no2)c1 ZINC000091526498 208124158 /nfs/dbraw/zinc/12/41/58/208124158.db2.gz COTQJGCDRQHMGU-UHFFFAOYSA-N 0 0 375.388 3.065 50 0 GGAARN Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CC[C@@]2(C1)CCCN(C(C)C)C2=O ZINC000091547273 208124297 /nfs/dbraw/zinc/12/42/97/208124297.db2.gz BCCPYNYZTSONAD-JOCHJYFZSA-N 0 0 380.492 3.248 50 0 GGAARN CC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2CCCc3nc(-c4cccnc4)ncc32)c1C ZINC000091550971 208124325 /nfs/dbraw/zinc/12/43/25/208124325.db2.gz WQRWBORKBJKTLQ-GOSISDBHSA-N 0 0 389.459 3.494 50 0 GGAARN O=C(c1cnc(-c2ccccn2)nc1O)N1CCCC[C@H]1CCc1ccccn1 ZINC000091616557 208124670 /nfs/dbraw/zinc/12/46/70/208124670.db2.gz HIPKRXOWXNTLDU-KRWDZBQOSA-N 0 0 389.459 3.267 50 0 GGAARN O=C(N[C@H]1CCCc2nc(-c3cccnc3)ncc21)c1cn2ccsc2n1 ZINC000091603478 208125322 /nfs/dbraw/zinc/12/53/22/208125322.db2.gz VWFHVBLTZVBVNU-HNNXBMFYSA-N 0 0 376.445 3.055 50 0 GGAARN O=C(NCCCn1ncc2ccccc21)c1cnc(-c2cccs2)[nH]c1=O ZINC000091620633 208125331 /nfs/dbraw/zinc/12/53/31/208125331.db2.gz FZWIKGFFGUQVKL-UHFFFAOYSA-N 0 0 379.445 3.081 50 0 GGAARN Cc1c([C@@H](C)NC(=O)CN(C)Cc2ccncc2)cnn1-c1cccc(F)c1 ZINC000091586539 208125344 /nfs/dbraw/zinc/12/53/44/208125344.db2.gz YELHCKPTMVTMII-OAHLLOKOSA-N 0 0 381.455 3.024 50 0 GGAARN CN(Cc1nc2ccccc2s1)C(=O)c1cnc(-c2ccncc2)[nH]c1=O ZINC000091620826 208125460 /nfs/dbraw/zinc/12/54/60/208125460.db2.gz NAOYWOQSYUCDHM-UHFFFAOYSA-N 0 0 377.429 3.126 50 0 GGAARN O=C(c1cnc(-c2ccccn2)nc1O)N1CCCC[C@@H]1CCc1ccccn1 ZINC000091616558 208125602 /nfs/dbraw/zinc/12/56/02/208125602.db2.gz HIPKRXOWXNTLDU-QGZVFWFLSA-N 0 0 389.459 3.267 50 0 GGAARN CSCc1noc(CN2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)n1 ZINC000091587210 208125684 /nfs/dbraw/zinc/12/56/84/208125684.db2.gz QUYUQIOCEIJANN-IBGZPJMESA-N 0 0 380.558 3.183 50 0 GGAARN CC(=O)c1c(C)nn(CC(=O)N[C@H](C)c2cnn(-c3ccccc3C)c2C)c1C ZINC000091625105 208126025 /nfs/dbraw/zinc/12/60/25/208126025.db2.gz NHBXEEBYFFBTRQ-CQSZACIVSA-N 0 0 393.491 3.382 50 0 GGAARN CN1CC2(CCN(C(=O)c3ccc(O)cc3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091616293 208126221 /nfs/dbraw/zinc/12/62/21/208126221.db2.gz VYNMTHCBPYVPCQ-HXUWFJFHSA-N 0 0 378.472 3.261 50 0 GGAARN COCCCN1CC2(CCC1=O)CCN(C(=O)[C@H]1CCc3ccccc3C1)CC2 ZINC000091602762 208126478 /nfs/dbraw/zinc/12/64/78/208126478.db2.gz AGYSNQVWLGXRBZ-NRFANRHFSA-N 0 0 398.547 3.059 50 0 GGAARN C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCCc2csc(N)n2)C1 ZINC000091808085 208139474 /nfs/dbraw/zinc/13/94/74/208139474.db2.gz QKIWOUVQRVSCMZ-HXUWFJFHSA-N 0 0 387.505 3.258 50 0 GGAARN COc1ccc2c(C)c(C(=O)N3CCC([C@@H](O)c4nccn4C)CC3)oc2c1 ZINC000091817897 208139496 /nfs/dbraw/zinc/13/94/96/208139496.db2.gz UTIMTNOKSOYGEA-GOSISDBHSA-N 0 0 383.448 3.069 50 0 GGAARN COc1ccc(-n2ncc([C@@H](C)NC(=O)c3c[nH]c(=O)c(Cl)c3)c2C)cc1 ZINC000091650499 208128075 /nfs/dbraw/zinc/12/80/75/208128075.db2.gz GBSPIMMYLHAQMV-LLVKDONJSA-N 0 0 386.839 3.022 50 0 GGAARN O=C1CCC(c2ccccc2)(c2ccccc2)CN1C[C@H]1CCS(=O)(=O)C1 ZINC000091650513 208128102 /nfs/dbraw/zinc/12/81/02/208128102.db2.gz CCSPMSRXHBTNBP-GOSISDBHSA-N 0 0 383.513 3.030 50 0 GGAARN COc1ccc(C(=O)CCC(=O)N2CC[C@@H](Cc3cccc(CO)c3)C2)cc1 ZINC000091655878 208128371 /nfs/dbraw/zinc/12/83/71/208128371.db2.gz FQQLDWMCHQKLPU-SFHVURJKSA-N 0 0 381.472 3.242 50 0 GGAARN Cc1cccc(-c2noc(CN(C)C(=O)c3cc(-c4cccn4C)n[nH]3)n2)c1 ZINC000091656773 208128503 /nfs/dbraw/zinc/12/85/03/208128503.db2.gz KZYHBZKHLSEXKR-UHFFFAOYSA-N 0 0 376.420 3.046 50 0 GGAARN Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)c1scc2c1OCCO2 ZINC000091645209 208129128 /nfs/dbraw/zinc/12/91/28/208129128.db2.gz FFNYUAPVHRHQQY-LBPRGKRZSA-N 0 0 382.445 3.171 50 0 GGAARN CC(C)c1cc(C(=O)N(C)Cc2c[nH]nc2-c2ccc(F)cc2)nc2ncnn21 ZINC000091626175 208129168 /nfs/dbraw/zinc/12/91/68/208129168.db2.gz BKIDMVXWUJQPCC-UHFFFAOYSA-N 0 0 393.426 3.049 50 0 GGAARN CCN(CCOC)C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 ZINC000091645392 208129567 /nfs/dbraw/zinc/12/95/67/208129567.db2.gz LQZPTBRQFXXUCB-UHFFFAOYSA-N 0 0 375.450 3.280 50 0 GGAARN C[C@H](NC(=O)c1cc(-c2ccccc2O)n[nH]1)c1ccc2c(c1)OCCCO2 ZINC000091651486 208130013 /nfs/dbraw/zinc/13/00/13/208130013.db2.gz VVTGXERHDUGZFY-ZDUSSCGKSA-N 0 0 379.416 3.435 50 0 GGAARN CN(C(=O)C1CCN(C(=O)c2ccccn2)CC1)[C@@H]1CCCc2ccccc21 ZINC000091645542 208130366 /nfs/dbraw/zinc/13/03/66/208130366.db2.gz NHBMITIUUMZNIH-OAQYLSRUSA-N 0 0 377.488 3.470 50 0 GGAARN O=C(CCN1CCOCC1)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091643696 208130548 /nfs/dbraw/zinc/13/05/48/208130548.db2.gz ZUXGIKFCFWIRBR-UHFFFAOYSA-N 0 0 378.516 3.317 50 0 GGAARN 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COc1cc(OC)cc(C(=O)N(C)CCCNc2cc(=O)oc3ccccc23)c1 ZINC000101668926 208396041 /nfs/dbraw/zinc/39/60/41/208396041.db2.gz ZXBMENVEWLIIHN-UHFFFAOYSA-N 0 0 396.443 3.384 50 0 GGAARN COc1ccc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)cc1OCc1ccccc1 ZINC000101707043 208396704 /nfs/dbraw/zinc/39/67/04/208396704.db2.gz DGAUTBCONJQZDJ-MRXNPFEDSA-N 0 0 393.439 3.467 50 0 GGAARN COc1ccc(OCc2noc(CNC(=O)CSCc3ccccc3)n2)cc1 ZINC000049027150 208450240 /nfs/dbraw/zinc/45/02/40/208450240.db2.gz GCWAKCPKVIRMOB-UHFFFAOYSA-N 0 0 399.472 3.207 50 0 GGAARN Cc1c(-c2nc(-c3ccc4c(c3)OCO4)no2)nnn1-c1ccc(F)c(C)c1 ZINC000049001926 208450414 /nfs/dbraw/zinc/45/04/14/208450414.db2.gz MTEHFLURZYBFGQ-UHFFFAOYSA-N 0 0 379.351 3.469 50 0 GGAARN Cc1ncc2c(ncnc2SCC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000049006531 208450497 /nfs/dbraw/zinc/45/04/97/208450497.db2.gz KDVMOJLXNBOPTC-UHFFFAOYSA-N 0 0 379.367 3.478 50 0 GGAARN CCCc1nnsc1C(=O)NCCCC(=O)Nc1cccc2cccnc21 ZINC000049030722 208450836 /nfs/dbraw/zinc/45/08/36/208450836.db2.gz 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O=C(CCCn1cnc(-c2ccccc2)cc1=O)Nc1cccc2nsnc21 ZINC000049028167 208449310 /nfs/dbraw/zinc/44/93/10/208449310.db2.gz SMIBUSYLZJSWRG-UHFFFAOYSA-N 0 0 391.456 3.334 50 0 GGAARN O=C(CNC(=O)c1c[nH]c2ccccc12)NCc1ccc(OC(F)(F)F)cc1 ZINC000049027861 208449725 /nfs/dbraw/zinc/44/97/25/208449725.db2.gz DCCOVRLTXJAEIF-UHFFFAOYSA-N 0 0 391.349 3.113 50 0 GGAARN COc1ccccc1OCc1nn2c(nnc2-c2c(C)nc3ccccn32)s1 ZINC000227143521 208474735 /nfs/dbraw/zinc/47/47/35/208474735.db2.gz HCWTUMPUBJXSAK-UHFFFAOYSA-N 0 0 392.444 3.397 50 0 GGAARN Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc4c(c3)OCCO4)nn21 ZINC000227143797 208475405 /nfs/dbraw/zinc/47/54/05/208475405.db2.gz PNFORCMUYMNPAU-UHFFFAOYSA-N 0 0 390.428 3.247 50 0 GGAARN COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2)c1OC ZINC000000828866 208482297 /nfs/dbraw/zinc/48/22/97/208482297.db2.gz NJMKTRGTJDZVCT-GOSISDBHSA-N 0 0 381.432 3.279 50 0 GGAARN CCNS(=O)(=O)c1ccc2nc(NC(=O)c3c(F)cccc3F)sc2c1 ZINC000000950366 208488078 /nfs/dbraw/zinc/48/80/78/208488078.db2.gz 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O=C(CCC(=O)N[C@@H]1CCCc2ccccc21)Nc1nnc(C(F)(F)F)s1 ZINC000002404637 208502313 /nfs/dbraw/zinc/50/23/13/208502313.db2.gz GAKIEYQKHHSHEK-GFCCVEGCSA-N 0 0 398.410 3.469 50 0 GGAARN CN1CCc2c(OCC(=O)Nc3ccc(Br)cc3)cccc2C1=O ZINC000002716259 208504819 /nfs/dbraw/zinc/50/48/19/208504819.db2.gz TVVFNLFKDICFNO-UHFFFAOYSA-N 0 0 389.249 3.095 50 0 GGAARN CS(=O)(=O)Oc1ccc(Cl)cc1/C=C1/N=C(c2cccs2)OC1=O ZINC000002822870 208506772 /nfs/dbraw/zinc/50/67/72/208506772.db2.gz QRGDNKJTCDXVSW-DHZHZOJOSA-N 0 0 383.834 3.084 50 0 GGAARN COc1ccc(N2C(=O)C(Cl)=C(Nc3cc(Cl)ccc3O)C2=O)cc1 ZINC000004043327 208534203 /nfs/dbraw/zinc/53/42/03/208534203.db2.gz JEXUXSYKSDCSSE-UHFFFAOYSA-N 0 0 379.199 3.490 50 0 GGAARN COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)NCCC(C)C ZINC000004073967 208535847 /nfs/dbraw/zinc/53/58/47/208535847.db2.gz UVYKGFATYAUURN-VQIMIIECSA-N 0 0 392.521 3.215 50 0 biogenic GGAARN O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccc(Cl)cc1 ZINC000004165994 208537266 /nfs/dbraw/zinc/53/72/66/208537266.db2.gz BCNGJFXBLMTFRZ-UHFFFAOYSA-N 0 0 397.797 3.013 50 0 GGAARN Cc1ccccc1NC(=O)C(=O)NCCSc1nc(-c2ccccc2)c[nH]1 ZINC000004315897 208540961 /nfs/dbraw/zinc/54/09/61/208540961.db2.gz RTRDEXRTYYEVBY-UHFFFAOYSA-N 0 0 380.473 3.232 50 0 GGAARN O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1ccc(F)cc1 ZINC000004328039 208541384 /nfs/dbraw/zinc/54/13/84/208541384.db2.gz QPFAINJMMMYIAS-UHFFFAOYSA-N 0 0 380.408 3.056 50 0 GGAARN CC1CCN(C(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)CC1 ZINC000004272325 208542125 /nfs/dbraw/zinc/54/21/25/208542125.db2.gz BPIOCQGKCFJTJL-UHFFFAOYSA-N 0 0 395.503 3.095 50 0 GGAARN O=C(Nc1nccs1)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000004270370 208542174 /nfs/dbraw/zinc/54/21/74/208542174.db2.gz FVMQEMGPOROUGI-UHFFFAOYSA-N 0 0 377.422 3.335 50 0 GGAARN C[C@@H]1CCCC[C@H]1NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000004272068 208542380 /nfs/dbraw/zinc/54/23/80/208542380.db2.gz BBZOOCCBALUHPX-VQIMIIECSA-N 0 0 395.503 3.141 50 0 GGAARN Cc1cc2cc(CNC(=O)N[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)ccc2[nH]1 ZINC000004374228 208543548 /nfs/dbraw/zinc/54/35/48/208543548.db2.gz MROBEQGTWGDNAK-QGZVFWFLSA-N 0 0 380.423 3.220 50 0 GGAARN CCCCC(=O)Nc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000004328706 208543776 /nfs/dbraw/zinc/54/37/76/208543776.db2.gz JXOJWLIZHYUSLD-UHFFFAOYSA-N 0 0 394.478 3.126 50 0 GGAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)Nc2ccccc2C)c3=O)c(C)c1 ZINC000004479254 208544539 /nfs/dbraw/zinc/54/45/39/208544539.db2.gz YFIKAHRULDWRJP-UHFFFAOYSA-N 0 0 387.443 3.146 50 0 GGAARN Cc1cc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)NC(C)(C)C)ccc1F ZINC000004554293 208545372 /nfs/dbraw/zinc/54/53/72/208545372.db2.gz XODUHZASQNCIOJ-HNNXBMFYSA-N 0 0 399.532 3.165 50 0 GGAARN COc1ccc(N2C[C@H](NC(=O)c3ccc4ccccc4c3)CC2=O)cc1OC ZINC000004497663 208545492 /nfs/dbraw/zinc/54/54/92/208545492.db2.gz GKMVXHVNTKFMSW-GOSISDBHSA-N 0 0 390.439 3.392 50 0 GGAARN CCCCc1ccc(NC(=O)CSc2nc(=O)n3cccc(C)c3n2)cc1 ZINC000004504021 208545549 /nfs/dbraw/zinc/54/55/49/208545549.db2.gz MSFFHBTYVJTXGA-UHFFFAOYSA-N 0 0 382.489 3.471 50 0 GGAARN CCOC(=O)c1c(NC(=O)c2cccc(S(C)(=O)=O)c2)sc2c1CCC2 ZINC000004517885 208545786 /nfs/dbraw/zinc/54/57/86/208545786.db2.gz QMAURHXAOZUMGP-UHFFFAOYSA-N 0 0 393.486 3.069 50 0 GGAARN O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000004604651 208545797 /nfs/dbraw/zinc/54/57/97/208545797.db2.gz MLZFPTAEFDDBHC-UHFFFAOYSA-N 0 0 398.484 3.094 50 0 GGAARN CCCn1ccc2c(OCC(=O)Nc3ccc(C(=O)OC)cc3)cccc2c1=O ZINC000004584152 208545802 /nfs/dbraw/zinc/54/58/02/208545802.db2.gz JJUWMLDPCVGDSF-UHFFFAOYSA-N 0 0 394.427 3.216 50 0 GGAARN Cc1cc2nc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)sc2cc1C ZINC000004586153 208545894 /nfs/dbraw/zinc/54/58/94/208545894.db2.gz CYMHREYAEBEZIV-UHFFFAOYSA-N 0 0 378.450 3.465 50 0 GGAARN CC(C)CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000004504986 208545924 /nfs/dbraw/zinc/54/59/24/208545924.db2.gz WJNKJUZSWUGTCJ-KRWDZBQOSA-N 0 0 381.538 3.035 50 0 GGAARN COc1ccccc1-n1ccnc(SCC(=O)Nc2ccccc2C)c1=O ZINC000004853156 208546192 /nfs/dbraw/zinc/54/61/92/208546192.db2.gz NIJAKPRHCYUTSB-UHFFFAOYSA-N 0 0 381.457 3.280 50 0 GGAARN CCOc1ccc(-n2ccnc(SCC(=O)NCc3ccccc3)c2=O)cc1 ZINC000004853190 208546215 /nfs/dbraw/zinc/54/62/15/208546215.db2.gz ODBXRJBNISDWBE-UHFFFAOYSA-N 0 0 395.484 3.040 50 0 GGAARN Cc1ccc(CNC(=O)CSc2nccn(-c3ccc(C)c(F)c3)c2=O)cc1 ZINC000004853102 208546342 /nfs/dbraw/zinc/54/63/42/208546342.db2.gz WUIUDCPDELOSIR-UHFFFAOYSA-N 0 0 397.475 3.397 50 0 GGAARN Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000004973394 208663823 /nfs/dbraw/zinc/66/38/23/208663823.db2.gz YGDMGWZSRAIDMF-UHFFFAOYSA-N 0 0 393.896 3.083 50 0 GGAARN CC(C)OCCC[NH2+][C@@H](CC(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000005258255 208666707 /nfs/dbraw/zinc/66/67/07/208666707.db2.gz CPLPHWLJZRQPJU-ZDUSSCGKSA-N 0 0 377.268 3.180 50 0 GGAARN CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)c(F)c3)n2)cc1 ZINC000005396369 208667580 /nfs/dbraw/zinc/66/75/80/208667580.db2.gz RQLAFLAMJSJBHZ-UHFFFAOYSA-N 0 0 381.407 3.395 50 0 GGAARN CCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(C)=O)cc3)n2)cc1 ZINC000005396222 208667746 /nfs/dbraw/zinc/66/77/46/208667746.db2.gz OOVLSUWNWBJJOI-UHFFFAOYSA-N 0 0 391.427 3.150 50 0 GGAARN CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2cc3c(cc2s1)OCO3 ZINC000005241038 208668156 /nfs/dbraw/zinc/66/81/56/208668156.db2.gz PEQGBNOEMWDGGQ-UHFFFAOYSA-N 0 0 390.442 3.071 50 0 GGAARN CC[C@@H](Sc1nncn1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000006355981 208675937 /nfs/dbraw/zinc/67/59/37/208675937.db2.gz JTBYBWFOZUAKKR-LLVKDONJSA-N 0 0 394.913 3.496 50 0 GGAARN Cc1c2oc3c(c2cc2c(C)c(CC(=O)NCCCO)c(=O)oc12)CCCC3 ZINC000006623886 208679817 /nfs/dbraw/zinc/67/98/17/208679817.db2.gz MLELHOXAMYIZIB-UHFFFAOYSA-N 0 0 383.444 3.076 50 0 biogenic GGAARN CCCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000006743110 208682062 /nfs/dbraw/zinc/68/20/62/208682062.db2.gz SQTAGLHDQUJELX-UHFFFAOYSA-N 0 0 379.309 3.384 50 0 GGAARN Cn1c(=O)c(C(=O)Nc2ccc(Br)cc2F)cc2cccnc21 ZINC000005303668 208669751 /nfs/dbraw/zinc/66/97/51/208669751.db2.gz RGEAQGYJILZXRY-UHFFFAOYSA-N 0 0 376.185 3.087 50 0 GGAARN CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000005373526 208669829 /nfs/dbraw/zinc/66/98/29/208669829.db2.gz ZPLLXERCMTUMIB-UHFFFAOYSA-N 0 0 388.420 3.492 50 0 GGAARN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1NC(=O)c1cc(C)cc(C)c1 ZINC000008770344 208698829 /nfs/dbraw/zinc/69/88/29/208698829.db2.gz LFZZFIPYECVDKY-UHFFFAOYSA-N 0 0 391.427 3.278 50 0 GGAARN C[C@@H](CCc1ccccc1)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000008880076 208699691 /nfs/dbraw/zinc/69/96/91/208699691.db2.gz YPBYERXGCIRLOT-PXNSSMCTSA-N 0 0 393.487 3.229 50 0 biogenic GGAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)NCC(C)C)cs2)cc1 ZINC000008852742 208699774 /nfs/dbraw/zinc/69/97/74/208699774.db2.gz PDLAEIKKRMAOAB-UHFFFAOYSA-N 0 0 377.535 3.497 50 0 GGAARN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)ccc1O ZINC000008843898 208700214 /nfs/dbraw/zinc/70/02/14/208700214.db2.gz VKIGUFAUDDACCB-LJQANCHMSA-N 0 0 381.432 3.284 50 0 GGAARN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)c(C)c2)ccc1O ZINC000008843899 208700550 /nfs/dbraw/zinc/70/05/50/208700550.db2.gz VKIGUFAUDDACCB-IBGZPJMESA-N 0 0 381.432 3.284 50 0 GGAARN COC(=O)C1C(C)=Nc2nc(SC)nn2[C@H]1c1ccc(OC(F)F)cc1 ZINC000008843467 208700576 /nfs/dbraw/zinc/70/05/76/208700576.db2.gz IHFKTUXBYINRKY-LBPRGKRZSA-N 0 0 382.392 3.063 50 0 GGAARN O=C(NC[C@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1)Nc1ccccc1Cl ZINC000008868146 208700870 /nfs/dbraw/zinc/70/08/70/208700870.db2.gz DXLYEZKWFUVYKZ-LBPRGKRZSA-N 0 0 389.795 3.216 50 0 GGAARN O=C(C1CC1)N1CCc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2C1 ZINC000008977432 208701564 /nfs/dbraw/zinc/70/15/64/208701564.db2.gz NPEPMJMJDFQDBM-UHFFFAOYSA-N 0 0 388.464 3.062 50 0 GGAARN CC(=O)OCc1cnc(C)c2oc(=O)c(C(=O)Nc3cc(F)ccc3C)cc12 ZINC000008592454 208696076 /nfs/dbraw/zinc/69/60/76/208696076.db2.gz PIKQZCMXGFCSHG-UHFFFAOYSA-N 0 0 384.363 3.259 50 0 GGAARN Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 ZINC000000633861 208705775 /nfs/dbraw/zinc/70/57/75/208705775.db2.gz QTDGPTRAGGISPL-UHFFFAOYSA-N 0 0 395.488 3.036 50 0 GGAARN COCCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1cccc(F)c1 ZINC000101018846 208709858 /nfs/dbraw/zinc/70/98/58/208709858.db2.gz DLZJPLDDKKNQLH-VZCXRCSSSA-N 0 0 390.436 3.247 50 0 GGAARN O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000001308347 208710356 /nfs/dbraw/zinc/71/03/56/208710356.db2.gz FJYZAMMNSAYKMP-UHFFFAOYSA-N 0 0 395.418 3.241 50 0 GGAARN CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2C)cc1 ZINC000005861598 208720445 /nfs/dbraw/zinc/72/04/45/208720445.db2.gz PAHNNJOMRBSICE-UHFFFAOYSA-N 0 0 395.488 3.480 50 0 GGAARN O=C(NCc1nnc2cc(-c3nc(C4CC4)no3)ccn21)c1cccc(Cl)c1 ZINC000169776304 208741590 /nfs/dbraw/zinc/74/15/90/208741590.db2.gz OOIJRYRFCXQFRU-UHFFFAOYSA-N 0 0 394.822 3.240 50 0 GGAARN Cc1ccc(C(=O)N2CCC(n3cc(-c4nc(C(C)C)no4)nn3)CC2)cc1F ZINC000169777482 208741657 /nfs/dbraw/zinc/74/16/57/208741657.db2.gz HDMCEMTZUQLSEM-UHFFFAOYSA-N 0 0 398.442 3.376 50 0 GGAARN COc1ccc(-c2ccc3nnc(CNC(=O)c4sccc4C)n3n2)cc1 ZINC000169778524 208741738 /nfs/dbraw/zinc/74/17/38/208741738.db2.gz FZXBENCSWLVHCD-UHFFFAOYSA-N 0 0 379.445 3.100 50 0 GGAARN COc1ccc(-c2ccc3nnc(CNC(=O)[C@@H](C)c4ccccc4)n3n2)cc1 ZINC000169778536 208741798 /nfs/dbraw/zinc/74/17/98/208741798.db2.gz BFTKRJJCJLLCAD-HNNXBMFYSA-N 0 0 387.443 3.220 50 0 GGAARN CC(C)c1noc(-c2cn([C@@H]3CCN(C(=O)c4ccc(Cl)cc4)C3)nn2)n1 ZINC000169778144 208742087 /nfs/dbraw/zinc/74/20/87/208742087.db2.gz NGKPHKMJZMGORU-CQSZACIVSA-N 0 0 386.843 3.192 50 0 GGAARN COc1ccc(CC(=O)N[C@H]2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc1 ZINC000169754070 208735064 /nfs/dbraw/zinc/73/50/64/208735064.db2.gz SRWWAXHWOVPWDZ-SFHVURJKSA-N 0 0 394.450 3.162 50 0 GGAARN COc1ccc(-c2cc(N3CCC[C@H](NC(=O)c4ccc(C)nc4)C3)n[nH]2)cc1 ZINC000169753678 208735125 /nfs/dbraw/zinc/73/51/25/208735125.db2.gz SFOXCSRDCHKHKB-SFHVURJKSA-N 0 0 391.475 3.188 50 0 GGAARN CCc1cc(=O)n(CC(=O)Nc2ccc(N(C)C)cc2)c(-c2ccccc2)n1 ZINC000169752699 208735675 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GGAARN COc1cccc([C@@H]2Cn3nnc(-c4nc(-c5ccccc5F)no4)c3CO2)c1 ZINC000169769971 208740165 /nfs/dbraw/zinc/74/01/65/208740165.db2.gz BDRMXCKHDORFPW-KRWDZBQOSA-N 0 0 393.378 3.414 50 0 GGAARN CC(C)c1noc(-c2cn([C@@H]3CCN(C(=O)c4cccc5[nH]ccc54)C3)nn2)n1 ZINC000169778176 208741391 /nfs/dbraw/zinc/74/13/91/208741391.db2.gz SGUZEXXKALPFIJ-CYBMUJFWSA-N 0 0 391.435 3.020 50 0 GGAARN CCOC(=O)N1CCc2nc(NC(=O)Cc3ccc(OCC)cc3)sc2C1 ZINC000010694644 208760537 /nfs/dbraw/zinc/76/05/37/208760537.db2.gz YOKQGXATNWAXKF-UHFFFAOYSA-N 0 0 389.477 3.238 50 0 GGAARN Cc1nc(-n2cccc2)sc1C(=O)NC[C@H]1CCCN(c2nccs2)C1 ZINC000206835349 208761121 /nfs/dbraw/zinc/76/11/21/208761121.db2.gz GPBXYIOJDRAHOT-CQSZACIVSA-N 0 0 387.534 3.345 50 0 GGAARN O=c1[nH]c2cc(S(=O)(=O)N3CCCC[C@H](c4ccc(F)cc4)C3)ccc2o1 ZINC000206875947 208761296 /nfs/dbraw/zinc/76/12/96/208761296.db2.gz BZDMJSBNNCBYGW-AWEZNQCLSA-N 0 0 390.436 3.219 50 0 GGAARN O=c1[nH]c2cc(S(=O)(=O)N3CCCC[C@@H](c4ccc(F)cc4)C3)ccc2o1 ZINC000206875907 208761714 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ZINC000062021479 209001908 /nfs/dbraw/zinc/00/19/08/209001908.db2.gz DXMIKZBRXCDABU-HXUWFJFHSA-N 0 0 377.506 3.056 50 0 GGAARN C[C@@](O)(CCc1ccccc1)CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000062021513 209002550 /nfs/dbraw/zinc/00/25/50/209002550.db2.gz JLFRKHBYFOANNQ-LJQANCHMSA-N 0 0 394.393 3.144 50 0 GGAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)c12 ZINC000032648565 208990385 /nfs/dbraw/zinc/99/03/85/208990385.db2.gz QACANTMSHOGQKH-UHFFFAOYSA-N 0 0 378.411 3.221 50 0 GGAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccnc4)[C@@H]3C2=O)cc1 ZINC000229981518 209004190 /nfs/dbraw/zinc/00/41/90/209004190.db2.gz JSTGERLJWPAZMN-PWRODBHTSA-N 0 0 385.423 3.441 50 0 GGAARN CC(C)c1ccc(NC(=O)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]32)cc1 ZINC000229990716 209004388 /nfs/dbraw/zinc/00/43/88/209004388.db2.gz WNRQOFLAVKWMII-VYIWNADRSA-N 0 0 391.464 3.145 50 0 GGAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)cc1 ZINC000229992266 209004877 /nfs/dbraw/zinc/00/48/77/209004877.db2.gz YDZKQEDKBUHTJD-PWRODBHTSA-N 0 0 385.423 3.441 50 0 GGAARN COc1ccc(NC(=O)c2nn([C@@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1 ZINC000334158352 209095703 /nfs/dbraw/zinc/09/57/03/209095703.db2.gz INLGZJQDQYYACV-CQSZACIVSA-O 0 0 390.485 3.328 50 0 GGAARN COC(OC)[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@@H]1OC(=O)c1ccc(-c2ccccc2)cc1 ZINC000043762111 209095166 /nfs/dbraw/zinc/09/51/66/209095166.db2.gz CPJULBYGZVXEBY-VNYTWHDVSA-N 0 0 396.439 3.450 50 0 GGAARN COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)c2c1 ZINC000004740683 220759358 /nfs/dbraw/zinc/75/93/58/220759358.db2.gz QPMSKAMUHTVILY-QGZVFWFLSA-N 0 0 391.471 3.197 50 0 GGAARN CCc1nnc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2CC)s1 ZINC000004736215 220756587 /nfs/dbraw/zinc/75/65/87/220756587.db2.gz OPWHFGNMGKBZFK-UHFFFAOYSA-N 0 0 392.485 3.249 50 0 GGAARN CCn1c(S[C@@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1ccccc1F ZINC000004736448 220757325 /nfs/dbraw/zinc/75/73/25/220757325.db2.gz BMTNZKVJJRJIOE-VIFPVBQESA-N 0 0 392.485 3.383 50 0 GGAARN COc1ccc(-c2cccc(C(=O)N3CC[C@]4(CN(C)C(=O)O4)C3)c2)c(C)c1 ZINC000426634035 533182642 /nfs/dbraw/zinc/18/26/42/533182642.db2.gz STXNSTPOICDFJP-QFIPXVFZSA-N 0 0 380.444 3.337 50 0 GGAARN CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000299799077 209091479 /nfs/dbraw/zinc/09/14/79/209091479.db2.gz SKDOITYULMSUSG-CQSZACIVSA-N 0 0 386.883 3.429 50 0 GGAARN CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccccc1Sc1c(C)n[nH]c1C ZINC000299803112 209093160 /nfs/dbraw/zinc/09/31/60/209093160.db2.gz XCRUXRCMJLTNBP-GJZGRUSLSA-N 0 0 376.482 3.103 50 0 GGAARN CCc1cc(=O)oc2cc(OC(=O)CNC(=O)OC(C)(C)C)c(Cl)cc12 ZINC000005070788 220825731 /nfs/dbraw/zinc/82/57/31/220825731.db2.gz CKXAAIMWNPSVFO-UHFFFAOYSA-N 0 0 381.812 3.439 50 0 GGAARN COc1cc(-c2nnc(NC(=O)c3ccc(C(C)=O)cc3)o2)cc(OC)c1OC ZINC000005169517 220839787 /nfs/dbraw/zinc/83/97/87/220839787.db2.gz PFSHTYJFZDLVRU-UHFFFAOYSA-N 0 0 397.387 3.217 50 0 GGAARN COc1ccc(CNC(=O)Nc2ccccc2Cc2nc(C)no2)cc1OC ZINC000096097085 209006787 /nfs/dbraw/zinc/00/67/87/209006787.db2.gz CFOZHJLPOMRYPI-UHFFFAOYSA-N 0 0 382.420 3.308 50 0 GGAARN CCOc1ccccc1NC(=O)N1CCC(S(=O)(=O)Cc2ccco2)CC1 ZINC000096099541 209006862 /nfs/dbraw/zinc/00/68/62/209006862.db2.gz UNDFYGXJWPJHEF-UHFFFAOYSA-N 0 0 392.477 3.290 50 0 GGAARN O=C(c1cc(=O)c2ccccc2o1)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000096025577 209006880 /nfs/dbraw/zinc/00/68/80/209006880.db2.gz PMVDSNMXDJEPKA-JOCHJYFZSA-N 0 0 375.380 3.043 50 0 GGAARN O=C(NCCCc1ccccc1)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 ZINC000096098325 209006922 /nfs/dbraw/zinc/00/69/22/209006922.db2.gz UUQQJMMAYUAVGJ-IBGZPJMESA-N 0 0 386.517 3.267 50 0 GGAARN O=S(=O)(NCC[C@@H](O)c1cccc2ccccc21)c1ccc2c(c1)CCO2 ZINC000096025979 209006990 /nfs/dbraw/zinc/00/69/90/209006990.db2.gz GOFPWUBLZVADTP-HXUWFJFHSA-N 0 0 383.469 3.177 50 0 GGAARN O=S(=O)(c1c(F)cccc1F)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096024874 209007079 /nfs/dbraw/zinc/00/70/79/209007079.db2.gz HGWRPAAGJZLHPX-UHFFFAOYSA-N 0 0 388.823 3.245 50 0 GGAARN COc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1OC ZINC000005196216 220843406 /nfs/dbraw/zinc/84/34/06/220843406.db2.gz BLWBFCWCTHFMCQ-AWEZNQCLSA-N 0 0 389.839 3.284 50 0 GGAARN O=C(Cc1ccc(NC(=O)N[C@H]2COC3(C2)CCCCC3)cc1)N1CCCC1 ZINC000299803149 209092439 /nfs/dbraw/zinc/09/24/39/209092439.db2.gz YGIRQZKEHGBBBZ-LJQANCHMSA-N 0 0 385.508 3.465 50 0 GGAARN CCOc1ccc(CC(=O)N2CCC[C@@H]2CS(=O)(=O)c2ccccc2)cc1 ZINC000096098306 209006757 /nfs/dbraw/zinc/00/67/57/209006757.db2.gz LTHIEGDCUZHRJO-GOSISDBHSA-N 0 0 387.501 3.093 50 0 GGAARN O=C(c1cc2ccccc2oc1=O)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000096025579 209007150 /nfs/dbraw/zinc/00/71/50/209007150.db2.gz UUVLEDVCOSHECV-JOCHJYFZSA-N 0 0 375.380 3.043 50 0 GGAARN COc1ncccc1C(=O)N1CCN(c2nc(-c3ccsc3)cs2)CC1 ZINC000096099888 209007462 /nfs/dbraw/zinc/00/74/62/209007462.db2.gz UPXMDPFXCQVGJV-UHFFFAOYSA-N 0 0 386.502 3.238 50 0 GGAARN Cc1ccc(CCC(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1F ZINC000096099518 209007473 /nfs/dbraw/zinc/00/74/73/209007473.db2.gz JOUAVTAPUBMZQQ-UHFFFAOYSA-N 0 0 393.480 3.266 50 0 GGAARN O=C(Nc1ccccc1SCc1ccccc1F)N1CC[C@](O)(CO)C1 ZINC000299796776 209091756 /nfs/dbraw/zinc/09/17/56/209091756.db2.gz OQSCCLKTAZKKRP-LJQANCHMSA-N 0 0 376.453 3.079 50 0 GGAARN O=C(c1ccc(C(F)(F)F)cc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000096099692 209007272 /nfs/dbraw/zinc/00/72/72/209007272.db2.gz GDAVNGYKJGYGPC-UHFFFAOYSA-N 0 0 387.354 3.143 50 0 GGAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)/C=C/c3cccs3)CC2)cc1 ZINC000096099610 209007776 /nfs/dbraw/zinc/00/77/76/209007776.db2.gz XHIHIMQQDRYMIQ-RMKNXTFCSA-N 0 0 391.514 3.235 50 0 GGAARN CCn1nc(C)c([C@H](C)NC(=O)c2cccc(-c3cc(C)nc(N)n3)c2)c1C ZINC000299797187 209091637 /nfs/dbraw/zinc/09/16/37/209091637.db2.gz PRMZSKUWVGOTKH-ZDUSSCGKSA-N 0 0 378.480 3.358 50 0 GGAARN O=C(c1nc2ccccc2s1)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000096025529 209008144 /nfs/dbraw/zinc/00/81/44/209008144.db2.gz WPIDXZLMIKMQPH-CQSZACIVSA-N 0 0 386.498 3.375 50 0 GGAARN CN(C)c1cccc(-c2cccc(C(=O)NCC(C)(C)N3CCOCC3)c2)c1 ZINC000299800705 209091573 /nfs/dbraw/zinc/09/15/73/209091573.db2.gz IJFNOFFAKRMIMA-UHFFFAOYSA-N 0 0 381.520 3.260 50 0 GGAARN Cc1cnn(C2CCCC2)c1NC(=O)NC[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000299798227 209091589 /nfs/dbraw/zinc/09/15/89/209091589.db2.gz QRAOVBFOMPPLFS-MRXNPFEDSA-N 0 0 381.480 3.481 50 0 GGAARN COc1cccc2cc(C(=O)N3CC[C@H](S(=O)(=O)c4ccccc4)C3)oc21 ZINC000096365636 209013932 /nfs/dbraw/zinc/01/39/32/209013932.db2.gz UFFXPWWGOXWWEC-INIZCTEOSA-N 0 0 385.441 3.130 50 0 GGAARN Cc1ccc([C@@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)OCCO)cc1 ZINC000096337908 209014004 /nfs/dbraw/zinc/01/40/04/209014004.db2.gz MCOFZXOGMQVPNV-QGZVFWFLSA-N 0 0 383.366 3.374 50 0 GGAARN CO[C@@H]1CCN(c2ccc(NS(=O)(=O)CCCOc3ccccc3)cc2)C1 ZINC000096381996 209014120 /nfs/dbraw/zinc/01/41/20/209014120.db2.gz RLEHNJFCOZTBFA-HXUWFJFHSA-N 0 0 390.505 3.123 50 0 GGAARN O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1cc(-c2ccco2)on1 ZINC000096103734 209008417 /nfs/dbraw/zinc/00/84/17/209008417.db2.gz ZOCMGZUANMRIMF-UHFFFAOYSA-N 0 0 380.326 3.457 50 0 GGAARN CO[C@H](CNS(=O)(=O)c1ccc(Br)s1)c1ccsc1 ZINC000096103341 209008586 /nfs/dbraw/zinc/00/85/86/209008586.db2.gz XWFNAJHCVCMBSK-SECBINFHSA-N 0 0 382.326 3.238 50 0 GGAARN CCOc1ccc(C)cc1S(=O)(=O)NC[C@H](O)c1ccc(SC)cc1 ZINC000096103216 209008859 /nfs/dbraw/zinc/00/88/59/209008859.db2.gz NXVLUYPQLLOSAX-INIZCTEOSA-N 0 0 381.519 3.128 50 0 GGAARN O=C(NCCc1ccccc1)N1CC[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096103495 209008982 /nfs/dbraw/zinc/00/89/82/209008982.db2.gz MRQMKNPSGVDYJK-GOSISDBHSA-N 0 0 392.908 3.140 50 0 GGAARN O=S(=O)(NCc1cc(C2CC2)n(C2CCCC2)n1)c1ccc2c(c1)CCO2 ZINC000096104118 209009015 /nfs/dbraw/zinc/00/90/15/209009015.db2.gz GOSQVIPQPMGTCN-UHFFFAOYSA-N 0 0 387.505 3.289 50 0 GGAARN CSc1ccc([C@H](O)CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)cc1 ZINC000096103159 209009103 /nfs/dbraw/zinc/00/91/03/209009103.db2.gz CTQNVJRZCOUWOI-LJQANCHMSA-N 0 0 385.464 3.412 50 0 GGAARN O=C(CCSc1ccccc1)N1CCC(S(=O)(=O)Cc2ccco2)CC1 ZINC000096104134 209009450 /nfs/dbraw/zinc/00/94/50/209009450.db2.gz PGWIAUDBLPFWLM-UHFFFAOYSA-N 0 0 393.530 3.368 50 0 GGAARN O=C(Nc1cc(-n2cccn2)ncn1)c1cc(Br)ccc1Cl ZINC000096119960 209009858 /nfs/dbraw/zinc/00/98/58/209009858.db2.gz NWSCGMRQJCMCLF-UHFFFAOYSA-N 0 0 378.617 3.331 50 0 GGAARN COC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3cccs3)CC2)cc1 ZINC000096120602 209009969 /nfs/dbraw/zinc/00/99/69/209009969.db2.gz BSEUXIUXGLOOEE-UHFFFAOYSA-N 0 0 380.491 3.495 50 0 GGAARN COC(=O)N1CCc2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2C1 ZINC000096096306 209010009 /nfs/dbraw/zinc/01/00/09/209010009.db2.gz BULAUEIXYAXAOS-UHFFFAOYSA-N 0 0 394.880 3.406 50 0 GGAARN Cn1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cn1 ZINC000096115597 209010017 /nfs/dbraw/zinc/01/00/17/209010017.db2.gz QKLHVXCYWMMXPO-XLIONFOSSA-N 0 0 387.395 3.058 50 0 biogenic GGAARN O=C(NCc1ccc(C(=O)c2ccsc2)s1)[C@H]1COc2ccccc2O1 ZINC000096119834 209010023 /nfs/dbraw/zinc/01/00/23/209010023.db2.gz TVQHBQRCDIKOKA-MRXNPFEDSA-N 0 0 385.466 3.497 50 0 GGAARN Cn1cccc(C(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)c1=O ZINC000096119723 209010288 /nfs/dbraw/zinc/01/02/88/209010288.db2.gz BSZCNNCYJIFDJT-UHFFFAOYSA-N 0 0 392.440 3.340 50 0 GGAARN COC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2C1 ZINC000096096299 209010318 /nfs/dbraw/zinc/01/03/18/209010318.db2.gz ZMDASXQAXYHVPH-UHFFFAOYSA-N 0 0 378.425 3.059 50 0 GGAARN Cn1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cn1 ZINC000096115689 209010330 /nfs/dbraw/zinc/01/03/30/209010330.db2.gz VGGWWVLQZNUTMR-AWEZNQCLSA-N 0 0 388.379 3.340 50 0 biogenic GGAARN Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(C(=O)c2ccco2)s1 ZINC000096119812 209010389 /nfs/dbraw/zinc/01/03/89/209010389.db2.gz IWCFKYPBCQZCKX-UHFFFAOYSA-N 0 0 379.434 3.498 50 0 GGAARN Cc1ccc(Oc2cccc(C(=O)Nc3c(C)nc(N(C)C)nc3C)c2)nn1 ZINC000096120720 209010396 /nfs/dbraw/zinc/01/03/96/209010396.db2.gz YFDCJWGZNIXJFJ-UHFFFAOYSA-N 0 0 378.436 3.302 50 0 GGAARN COC(=O)C[C@H](c1ccc(OCC(C)C)c(OC)c1)c1oc(C)cc(=O)c1O ZINC000096114747 209010439 /nfs/dbraw/zinc/01/04/39/209010439.db2.gz CWKLCPBVIPDDGW-OAHLLOKOSA-N 0 0 390.432 3.392 50 0 biogenic GGAARN COC(=O)N1CCc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc2C1 ZINC000096096271 209010541 /nfs/dbraw/zinc/01/05/41/209010541.db2.gz NBDRBMKVVIUBDG-UHFFFAOYSA-N 0 0 384.432 3.010 50 0 GGAARN COC(=O)C[C@H](c1c(Cc2ccccc2)[nH][nH]c1=O)c1ccc(C(=O)OC)cc1 ZINC000096115919 209010792 /nfs/dbraw/zinc/01/07/92/209010792.db2.gz CBKNGKDSJPZORZ-KRWDZBQOSA-N 0 0 394.427 3.188 50 0 biogenic GGAARN Cn1cc([C@@H](O)CNS(=O)(=O)c2ccc3c(c2)CCCC3)c2ccccc21 ZINC000096096499 209010853 /nfs/dbraw/zinc/01/08/53/209010853.db2.gz UGECOHUTIDJVHZ-NRFANRHFSA-N 0 0 384.501 3.069 50 0 GGAARN O=C(CCc1ccccc1F)NCC1CCN(C(=O)COc2ccccc2)CC1 ZINC000096120352 209010892 /nfs/dbraw/zinc/01/08/92/209010892.db2.gz ARCDFHQVTJWDLG-UHFFFAOYSA-N 0 0 398.478 3.192 50 0 GGAARN CC(C)Cn1cnc2ccc(NC(=O)Cc3ccc4c(c3)OCC4)cc2c1=O ZINC000096116549 209010923 /nfs/dbraw/zinc/01/09/23/209010923.db2.gz SZKXUACNLCGLJY-UHFFFAOYSA-N 0 0 377.444 3.169 50 0 biogenic GGAARN Cn1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cn1 ZINC000096115598 209011107 /nfs/dbraw/zinc/01/11/07/209011107.db2.gz QKLHVXCYWMMXPO-PXNSSMCTSA-N 0 0 387.395 3.058 50 0 biogenic GGAARN O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)c1cc(C2CC2)on1 ZINC000096121510 209011462 /nfs/dbraw/zinc/01/14/62/209011462.db2.gz OHERCMRMWFULBG-UHFFFAOYSA-N 0 0 377.448 3.119 50 0 GGAARN CC[C@](CNC(=O)C(=O)Nc1cc(Cl)ccc1OC)(OC)c1ccccc1 ZINC000096123809 209011469 /nfs/dbraw/zinc/01/14/69/209011469.db2.gz QJIMLRVTLBJIOC-HXUWFJFHSA-N 0 0 390.867 3.355 50 0 GGAARN CN1c2cccnc2Sc2ccc(NC(=O)CN3CCCCC3)cc2C1=O ZINC000096231519 209011566 /nfs/dbraw/zinc/01/15/66/209011566.db2.gz KJBFSQBHRXRZMT-UHFFFAOYSA-N 0 0 382.489 3.247 50 0 GGAARN COc1ccc(OC)c(NC(=O)N2CCN(c3cc(C)cc(C)c3)C(=O)C2)c1 ZINC000299791527 209091231 /nfs/dbraw/zinc/09/12/31/209091231.db2.gz FAMBFIRWLHHYKX-UHFFFAOYSA-N 0 0 383.448 3.201 50 0 GGAARN O=C(COc1ccccc1F)NCCn1nc(-c2ccncc2)c2c1CCCC2 ZINC000096121452 209011741 /nfs/dbraw/zinc/01/17/41/209011741.db2.gz UVTYPRAWIHVBDJ-UHFFFAOYSA-N 0 0 394.450 3.158 50 0 GGAARN CCCC[C@H](CC)CNC(=O)CN1C=Cc2cc(OC)c(OC)cc2CC1=O ZINC000096222022 209011773 /nfs/dbraw/zinc/01/17/73/209011773.db2.gz XMICOCXFXCBSEG-INIZCTEOSA-N 0 0 388.508 3.392 50 0 biogenic GGAARN O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1cc(-c2ccco2)on1 ZINC000096121548 209011824 /nfs/dbraw/zinc/01/18/24/209011824.db2.gz ASJMQPVYISOHNR-UHFFFAOYSA-N 0 0 394.353 3.459 50 0 GGAARN O=C(Cc1c[nH]c2ccccc12)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000096122158 209012072 /nfs/dbraw/zinc/01/20/72/209012072.db2.gz NDSSJRUBMCPMQB-UHFFFAOYSA-N 0 0 388.876 3.049 50 0 GGAARN CCOc1ncc(NC(=O)c2ccc(Oc3ncccn3)cc2)c(OCC)n1 ZINC000096121364 209012093 /nfs/dbraw/zinc/01/20/93/209012093.db2.gz PHCYAWCACVDLEH-UHFFFAOYSA-N 0 0 381.392 3.109 50 0 GGAARN CC[C@@](CNS(=O)(=O)CCc1ccc(OC)cc1)(OC)c1ccccc1 ZINC000096123778 209012132 /nfs/dbraw/zinc/01/21/32/209012132.db2.gz TYYQLELNLAMIEA-FQEVSTJZSA-N 0 0 377.506 3.109 50 0 GGAARN CS(=O)(=O)Nc1cccc(NC(=O)c2cccc(Oc3ccccn3)c2)c1 ZINC000096122647 209012147 /nfs/dbraw/zinc/01/21/47/209012147.db2.gz MWFTZKLUBSFEPB-UHFFFAOYSA-N 0 0 383.429 3.498 50 0 GGAARN Cc1cccc(CS(=O)(=O)NCCn2nc(-c3ccncc3)cc2C2CC2)c1 ZINC000096121680 209012207 /nfs/dbraw/zinc/01/22/07/209012207.db2.gz NFWUXFBIBTXIFR-UHFFFAOYSA-N 0 0 396.516 3.251 50 0 GGAARN CO[C@H]1CCN(c2ccc(NC(=O)c3cncc(Br)c3)cc2)C1 ZINC000096122280 209012244 /nfs/dbraw/zinc/01/22/44/209012244.db2.gz XKBLJACSKNAYHY-INIZCTEOSA-N 0 0 376.254 3.322 50 0 GGAARN COc1ccc(Cl)cc1S(=O)(=O)NCC1(OC)C2CC3CC(C2)CC1C3 ZINC000096123895 209012289 /nfs/dbraw/zinc/01/22/89/209012289.db2.gz FLANNXYUPIOPRQ-UHFFFAOYSA-N 0 0 399.940 3.468 50 0 GGAARN COc1cc([C@@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc2c1OCO2 ZINC000096221459 209012467 /nfs/dbraw/zinc/01/24/67/209012467.db2.gz ALCKQYOVKBRYCI-ZDUSSCGKSA-N 0 0 380.352 3.280 50 0 biogenic GGAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCCn1ccc2cccnc21 ZINC000096353463 209014304 /nfs/dbraw/zinc/01/43/04/209014304.db2.gz GYWQYHCULCKGCI-UHFFFAOYSA-N 0 0 377.423 3.396 50 0 GGAARN COc1ccc(CNC(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1 ZINC000096121579 209012591 /nfs/dbraw/zinc/01/25/91/209012591.db2.gz GZEJKIQNBFCNKI-UHFFFAOYSA-N 0 0 396.413 3.289 50 0 GGAARN COc1ccc(C)cc1S(=O)(=O)NCC1(OC)C2CC3CC(C2)CC1C3 ZINC000096123888 209012669 /nfs/dbraw/zinc/01/26/69/209012669.db2.gz CDDQYHUXFOELGK-UHFFFAOYSA-N 0 0 379.522 3.123 50 0 GGAARN COC1(CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)C2CC3CC(C2)CC1C3 ZINC000096123923 209012694 /nfs/dbraw/zinc/01/26/94/209012694.db2.gz ZADYJEWUKVIGLK-UHFFFAOYSA-N 0 0 394.874 3.375 50 0 GGAARN Cc1cc(=O)oc2c1ccc1c2[C@@H](c2cc3ccccc3n(C)c2=O)CC(=O)O1 ZINC000096221111 209012772 /nfs/dbraw/zinc/01/27/72/209012772.db2.gz LWMSEXMUGRZBAQ-OAHLLOKOSA-N 0 0 387.391 3.394 50 0 biogenic GGAARN O=C(c1ccc2[nH]ccc2c1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000096374036 209012999 /nfs/dbraw/zinc/01/29/99/209012999.db2.gz XUVWMEDBYKSSLK-UHFFFAOYSA-N 0 0 386.448 3.386 50 0 GGAARN Nc1ccc(S[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000096265886 209013106 /nfs/dbraw/zinc/01/31/06/209013106.db2.gz CVEYHFBYPBYJRI-AWEZNQCLSA-N 0 0 377.263 3.456 50 0 GGAARN COc1ccccc1S(=O)(=O)NCC1(Sc2ccccc2)CCOCC1 ZINC000096331173 209013270 /nfs/dbraw/zinc/01/32/70/209013270.db2.gz CYEFEASZPYFICP-UHFFFAOYSA-N 0 0 393.530 3.315 50 0 GGAARN Cc1ccc2nc3c(cc(C(=O)N[C@H](C)CCc4ccccc4)n3C)c(=O)n2c1 ZINC000096347361 209013308 /nfs/dbraw/zinc/01/33/08/209013308.db2.gz BNPMNGFOSBDTMY-MRXNPFEDSA-N 0 0 388.471 3.246 50 0 GGAARN O=C(CSCc1ccccc1)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 ZINC000096366727 209013573 /nfs/dbraw/zinc/01/35/73/209013573.db2.gz NYXVIPMASMBIRH-SFHVURJKSA-N 0 0 389.542 3.385 50 0 GGAARN Cc1ccc([C@H](CNC(=O)c2cccc(Br)c2)OCCO)cc1 ZINC000096337799 209013842 /nfs/dbraw/zinc/01/38/42/209013842.db2.gz FLZPLMKLUAYEKV-KRWDZBQOSA-N 0 0 378.266 3.238 50 0 GGAARN COc1ccc(S(=O)(=O)C2CN(C(=O)Cc3cccc4ccccc43)C2)cc1 ZINC000096378082 209013847 /nfs/dbraw/zinc/01/38/47/209013847.db2.gz LOTGYTBQDBDWDZ-UHFFFAOYSA-N 0 0 395.480 3.076 50 0 GGAARN CO[C@@](C)(CNS(=O)(=O)c1ccc(NC(C)=O)cc1)c1cccc(Cl)c1 ZINC000096392908 209016262 /nfs/dbraw/zinc/01/62/62/209016262.db2.gz VZAOOPVXSOYFPU-SFHVURJKSA-N 0 0 396.896 3.139 50 0 GGAARN CO[C@H](CNS(=O)(=O)c1ccc(Br)s1)c1cccc(F)c1 ZINC000096388562 209016407 /nfs/dbraw/zinc/01/64/07/209016407.db2.gz FSKNNDZPHZOGSZ-LLVKDONJSA-N 0 0 394.287 3.316 50 0 GGAARN COc1ccc(OC)c(S(=O)(=O)NC[C@](C)(OC)c2cccc(Cl)c2)c1 ZINC000096392929 209016876 /nfs/dbraw/zinc/01/68/76/209016876.db2.gz SQPIYBYUIKRVGQ-SFHVURJKSA-N 0 0 399.896 3.197 50 0 GGAARN Cc1nc(-c2cccc(NC(=O)NCc3nc(C)c4c(n3)CCCC4)c2)n[nH]1 ZINC000299796689 209090760 /nfs/dbraw/zinc/09/07/60/209090760.db2.gz PGKFPHWYAWIGDT-UHFFFAOYSA-N 0 0 377.452 3.079 50 0 GGAARN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(OS(=O)(=O)c4ccccc4)c3)C(=O)[C@H]2C1 ZINC000239046927 209017941 /nfs/dbraw/zinc/01/79/41/209017941.db2.gz FZGFGVIPUOFCHL-ZMYBRWDISA-N 0 0 399.468 3.380 50 0 GGAARN FC(F)(F)c1ccc(I)c(I)n1 ZINC000238571716 209018180 /nfs/dbraw/zinc/01/81/80/209018180.db2.gz RUSXCJWUXZHLGT-UHFFFAOYSA-N 0 0 398.891 3.310 50 0 GGAARN Cc1noc([C@H]2CN(C(=O)c3c[nH]c(=O)c(Cl)c3)C[C@H]2c2ccccc2)n1 ZINC000240068179 209018523 /nfs/dbraw/zinc/01/85/23/209018523.db2.gz SLZCPPBEBBCUDQ-GJZGRUSLSA-N 0 0 384.823 3.155 50 0 GGAARN COc1ccc(-n2ccnc(SCC(=O)Nc3ccccc3F)c2=O)cc1 ZINC000004484309 533216074 /nfs/dbraw/zinc/21/60/74/533216074.db2.gz OLIDDSIPXMAVPN-UHFFFAOYSA-N 0 0 385.420 3.111 50 0 GGAARN O=C(C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000239164825 209018795 /nfs/dbraw/zinc/01/87/95/209018795.db2.gz MZIKDLUMHDHRPV-AQNXPRMDSA-N 0 0 379.460 3.207 50 0 GGAARN Cc1c(C(=O)N[C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)sc2[nH]cnc(=O)c12 ZINC000240825222 209020303 /nfs/dbraw/zinc/02/03/03/209020303.db2.gz QOCSQOMVEOTLCW-GBIKHYSHSA-N 0 0 375.475 3.009 50 0 GGAARN Cc1ccc2c(=O)cc(C(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)oc2c1 ZINC000244647128 209021105 /nfs/dbraw/zinc/02/11/05/209021105.db2.gz GVMYKHHZYYSKIK-HNNXBMFYSA-N 0 0 376.412 3.232 50 0 GGAARN Cc1n[nH]c(CCC(=O)N[C@@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)c1C ZINC000244594145 209021235 /nfs/dbraw/zinc/02/12/35/209021235.db2.gz DHEHTFPGVRCMFE-TVTNDZMWSA-N 0 0 378.476 3.136 50 0 GGAARN Cc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)[C@H]3C[C@H](O)C3)[nH]n2)cc1 ZINC000244673565 209021402 /nfs/dbraw/zinc/02/14/02/209021402.db2.gz HRRLNAVRSRLFPA-VAMGGRTRSA-N 0 0 375.472 3.497 50 0 GGAARN Cc1cc(C(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c2ccc(C)c(C)c2n1 ZINC000244701126 209021720 /nfs/dbraw/zinc/02/17/20/209021720.db2.gz KAPWMICLYMXBHV-XPIZARPCSA-N 0 0 378.476 3.136 50 0 GGAARN CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000244646912 209022692 /nfs/dbraw/zinc/02/26/92/209022692.db2.gz GRNJJDYLRSMXFF-MXVIHJGJSA-N 0 0 390.487 3.062 50 0 GGAARN Cc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)[C@H]3C[C@H](O)C3)[nH]n2)cc1 ZINC000244673564 209022723 /nfs/dbraw/zinc/02/27/23/209022723.db2.gz HRRLNAVRSRLFPA-UFYCRDLUSA-N 0 0 375.472 3.497 50 0 GGAARN Cc1cc(C(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c2ccc(C)c(C)c2n1 ZINC000244701125 209022783 /nfs/dbraw/zinc/02/27/83/209022783.db2.gz KAPWMICLYMXBHV-LDBYXDLTSA-N 0 0 378.476 3.136 50 0 GGAARN CC(=O)c1ccc(N2CCOCC2)c(C[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000244795618 209023080 /nfs/dbraw/zinc/02/30/80/209023080.db2.gz RKCNWPZLEDWUOB-GOSISDBHSA-N 0 0 378.472 3.321 50 0 GGAARN CC(=O)c1ccc(N2CCOCC2)c(C[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000244795619 209023345 /nfs/dbraw/zinc/02/33/45/209023345.db2.gz RKCNWPZLEDWUOB-SFHVURJKSA-N 0 0 378.472 3.321 50 0 GGAARN CC[C@H](NC(=O)c1cn(CC)c2c(F)c(F)c(F)cc2c1=O)c1ccnn1C ZINC000244719170 209023589 /nfs/dbraw/zinc/02/35/89/209023589.db2.gz LYDXBJDRARHUEC-ZDUSSCGKSA-N 0 0 392.381 3.053 50 0 GGAARN O=C(c1ccccc1N1CCC(=O)NC1=O)N1CCC[C@H](c2ccccc2)C1 ZINC000244796134 209023687 /nfs/dbraw/zinc/02/36/87/209023687.db2.gz RTPAQAUAYOKVCL-KRWDZBQOSA-N 0 0 377.444 3.153 50 0 GGAARN COc1ccc([C@@H](NC(=O)c2ccc(-n3cccc3)cc2)[C@H]2C[C@H](O)C2)cn1 ZINC000244748492 209023793 /nfs/dbraw/zinc/02/37/93/209023793.db2.gz OIPNSAUIQMYEJS-YFVAEKQCSA-N 0 0 377.444 3.123 50 0 GGAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000244816787 209023984 /nfs/dbraw/zinc/02/39/84/209023984.db2.gz SOLMRMIJEDWWIQ-NZSAHSFTSA-N 0 0 377.444 3.157 50 0 GGAARN C[N@H+](CCC(=O)Nc1ccsc1C(=O)[O-])Cc1c[nH]nc1-c1ccccc1 ZINC000244778668 209024244 /nfs/dbraw/zinc/02/42/44/209024244.db2.gz PULYDBMEPADADM-UHFFFAOYSA-N 0 0 384.461 3.297 50 0 GGAARN O=C(c1cc(N2CCCCC2)ccc1Cl)N1CCC2(CNC(=O)O2)CC1 ZINC000244900110 209024313 /nfs/dbraw/zinc/02/43/13/209024313.db2.gz ZWFGRNCYKJMCJP-UHFFFAOYSA-N 0 0 377.872 3.045 50 0 GGAARN O=C(N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1)c1cnn(Cc2ccccc2)c1 ZINC000244773840 209024495 /nfs/dbraw/zinc/02/44/95/209024495.db2.gz PHMOJYYYYKKUMC-CEMLEFRQSA-N 0 0 375.472 3.043 50 0 GGAARN O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cnc(CN2CCCC2)s1 ZINC000244873082 209024699 /nfs/dbraw/zinc/02/46/99/209024699.db2.gz WJULXMHNYXJXIV-AHIWAGSCSA-N 0 0 377.535 3.042 50 0 GGAARN COc1cc(C)sc1C(=O)N[C@@H](c1cc(F)ccc1OC)[C@H]1C[C@H](O)C1 ZINC000244873426 209025139 /nfs/dbraw/zinc/02/51/39/209025139.db2.gz WQDFACWFWGOLHR-CJBNDPTMSA-N 0 0 379.453 3.455 50 0 GGAARN Cc1cccc(CN2CCN(Cc3cc(-c4cccnc4)no3)[C@@H](C)C2=O)c1 ZINC000244894067 209025207 /nfs/dbraw/zinc/02/52/07/209025207.db2.gz YZKDZXCYXLCLII-KRWDZBQOSA-N 0 0 376.460 3.278 50 0 GGAARN COc1ccccc1CC(=O)N[C@@H](c1cnc2ccccc2c1)[C@H]1C[C@@H](O)C1 ZINC000244734423 209025308 /nfs/dbraw/zinc/02/53/08/209025308.db2.gz NFDDFXATCOUQJZ-HFJQGTKSSA-N 0 0 376.456 3.414 50 0 GGAARN CCCOc1ccc(C(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@H](O)C2)cc1Cl ZINC000244723881 209025366 /nfs/dbraw/zinc/02/53/66/209025366.db2.gz MJHIXAPXGDWTGO-DDUZABMNSA-N 0 0 377.872 3.104 50 0 GGAARN COc1ccccc1OCC(=O)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 ZINC000244947580 209026071 /nfs/dbraw/zinc/02/60/71/209026071.db2.gz DMXRUGBWWURNCG-QGZVFWFLSA-N 0 0 378.428 3.302 50 0 GGAARN Cc1nn(CC(N)=O)c(C)c1-c1cccc(C(=O)N[C@H](C)c2cccs2)c1 ZINC000299792708 209090905 /nfs/dbraw/zinc/09/09/05/209090905.db2.gz GSIAVAZBGCTUJM-GFCCVEGCSA-N 0 0 382.489 3.205 50 0 GGAARN COc1ccc(-c2n[nH]cc2C(=O)N[C@H](C)c2nc3ccccc3n2C)cc1 ZINC000248071928 209030002 /nfs/dbraw/zinc/03/00/02/209030002.db2.gz XSYWZNAXRZAHGU-CYBMUJFWSA-N 0 0 375.432 3.463 50 0 GGAARN CCOc1cccc(NC(=O)c2cc3c(nc4ccc(C)cn4c3=O)n2C)c1 ZINC000096347368 209014400 /nfs/dbraw/zinc/01/44/00/209014400.db2.gz QQTDGWOBPUGWQN-UHFFFAOYSA-N 0 0 376.416 3.146 50 0 GGAARN O=C(CCCOc1ccc2c(c1)OCO2)NCCCn1ccc2cccnc21 ZINC000096353487 209014439 /nfs/dbraw/zinc/01/44/39/209014439.db2.gz PGIVSSCXIXTWJW-UHFFFAOYSA-N 0 0 381.432 3.131 50 0 GGAARN COc1ccc(S(=O)(=O)NC[C@](C)(OC)c2cccc(Cl)c2)cc1C ZINC000096392864 209015072 /nfs/dbraw/zinc/01/50/72/209015072.db2.gz HKFRHKTYEDLKPB-SFHVURJKSA-N 0 0 383.897 3.497 50 0 GGAARN COc1ccc(S(=O)(=O)NC[C@@](C)(OC)c2cccc(Cl)c2)c(C)c1 ZINC000096392871 209015756 /nfs/dbraw/zinc/01/57/56/209015756.db2.gz VLAJCNMDWJOEDK-GOSISDBHSA-N 0 0 383.897 3.497 50 0 GGAARN CCC(=O)Nc1ccc(S(=O)(=O)NC[C@H](OC)c2cccc(F)c2)c(C)c1 ZINC000096388565 209015998 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O=C([C@H]1COc2ccccc2C1)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 ZINC000426370747 534641795 /nfs/dbraw/zinc/64/17/95/534641795.db2.gz YAEWPTLOCRHDCB-QGZVFWFLSA-N 0 0 377.419 3.164 50 0 GGAARN O=C(c1cc(-c2ccc(F)cc2)nc2ccccc21)N1CCN2C(=O)OC[C@H]2C1 ZINC000426711966 534653893 /nfs/dbraw/zinc/65/38/93/534653893.db2.gz BVBBOEADKBSWKF-MRXNPFEDSA-N 0 0 391.402 3.318 50 0 GGAARN O=C(CSCc1ccccc1Cl)N1CCC[C@H](c2ccn(CCO)n2)C1 ZINC000426518694 534667435 /nfs/dbraw/zinc/66/74/35/534667435.db2.gz DUVUQPZREYGZDM-HNNXBMFYSA-N 0 0 393.940 3.168 50 0 GGAARN O=C(c1ccc(-c2ccc3ncccc3c2)cc1)N1CCN(CCCO)CC1 ZINC000426537736 534679616 /nfs/dbraw/zinc/67/96/16/534679616.db2.gz SEKLZEQLCARSQW-UHFFFAOYSA-N 0 0 375.472 3.042 50 0 GGAARN CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccnc1 ZINC000002522401 523227822 /nfs/dbraw/zinc/22/78/22/523227822.db2.gz WSNLBBCGJOQNQD-UHFFFAOYSA-N 0 0 375.404 3.369 50 0 GGAARN Nc1cncc(-c2ccc(C(=O)N3CCCN(Cc4ccccn4)CC3)cc2)c1 ZINC000426550350 534744683 /nfs/dbraw/zinc/74/46/83/534744683.db2.gz 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Cc1cccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC000000812036 524721243 /nfs/dbraw/zinc/72/12/43/524721243.db2.gz WZEBODZLYPDSHK-UHFFFAOYSA-N 0 0 395.503 3.317 50 0 GGAARN Cc1ccccc1CN(C[C@H]1CCCO1)C(=O)NCCc1nncn1C(C)C ZINC000426414306 534811454 /nfs/dbraw/zinc/81/14/54/534811454.db2.gz HTOYTLHDNJWCSY-LJQANCHMSA-N 0 0 385.512 3.101 50 0 GGAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2C)cc1 ZINC000004756959 525296560 /nfs/dbraw/zinc/29/65/60/525296560.db2.gz HVFQWWPAZXYPRB-GOSISDBHSA-N 0 0 388.489 3.013 50 0 GGAARN CC(=O)c1ccc(N2CCN(C(=O)CCc3csc4nc(C)cn34)CC2)cc1 ZINC000049422456 534848240 /nfs/dbraw/zinc/84/82/40/534848240.db2.gz JLIYUCQGXUKZLO-UHFFFAOYSA-N 0 0 396.516 3.188 50 0 GGAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCCCC3)c3ccccc32)s1 ZINC000005427493 526051170 /nfs/dbraw/zinc/05/11/70/526051170.db2.gz GDQXVVRSLGDUCV-NRFANRHFSA-N 0 0 384.501 3.307 50 0 GGAARN Cc1cnc(NC(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)s1 ZINC000253388025 526085993 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CC(=O)c1cccc(-c2ccc(C(=O)N3CC[C@@]4(CN(C)C(=O)O4)C3)cc2)c1 ZINC000426538416 527348886 /nfs/dbraw/zinc/34/88/86/527348886.db2.gz MCDKJACFQNWVGE-JOCHJYFZSA-N 0 0 378.428 3.223 50 0 GGAARN O=C1CS[C@@H](c2cc(Br)cc3c2OCOC3)c2c[nH]nc2N1 ZINC000079496148 527514418 /nfs/dbraw/zinc/51/44/18/527514418.db2.gz SEXDFRWZOXTZNQ-ZDUSSCGKSA-N 0 0 382.239 3.463 50 0 GGAARN CC(C)NC(=O)c1ccccc1-c1ccc(C(=O)N2CCc3n[nH]cc3C2)cc1 ZINC000426434818 527727157 /nfs/dbraw/zinc/72/71/57/527727157.db2.gz HIIZXSPSCCECJO-UHFFFAOYSA-N 0 0 388.471 3.413 50 0 GGAARN CC1(CNC(=O)N(Cc2ccc(F)cc2)Cc2ccc3c(c2)OCO3)COC1 ZINC000426382605 527946000 /nfs/dbraw/zinc/94/60/00/527946000.db2.gz DUDGAMXCLDAIKC-UHFFFAOYSA-N 0 0 386.423 3.303 50 0 GGAARN CC(C)CN(Cc1cnn(C)c1)C(=O)N[C@@H](Cn1cccn1)c1ccccc1 ZINC000426478729 527951925 /nfs/dbraw/zinc/95/19/25/527951925.db2.gz JVYCYULHFSOIOJ-FQEVSTJZSA-N 0 0 380.496 3.226 50 0 GGAARN CCN(CC(F)(F)F)C(=O)c1cccc(-c2ncccc2C(=O)N(C)C)c1 ZINC000426372216 527967952 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ZINC000012003905 570228200 /nfs/dbraw/zinc/22/82/00/570228200.db2.gz DGOFCRAYOGDCLD-LBPRGKRZSA-N 0 0 392.864 3.213 50 0 GGAARN Cc1ccc(NC(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)cc1C ZINC000012004041 570228277 /nfs/dbraw/zinc/22/82/77/570228277.db2.gz HFWIVZHKTWEXCR-UHFFFAOYSA-N 0 0 392.864 3.276 50 0 GGAARN Cc1cccc(C)c1NC(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl ZINC000012004051 570228376 /nfs/dbraw/zinc/22/83/76/570228376.db2.gz PKKQYVYWPAPVHX-UHFFFAOYSA-N 0 0 392.864 3.276 50 0 GGAARN COc1cc(OC)c(NC(=O)COC(=O)c2cc(F)cc(F)c2)cc1Cl ZINC000011571726 570230900 /nfs/dbraw/zinc/23/09/00/570230900.db2.gz LVKFDPYZWVXYMO-UHFFFAOYSA-N 0 0 385.750 3.431 50 0 GGAARN CCOc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 ZINC000000957095 570231767 /nfs/dbraw/zinc/23/17/67/570231767.db2.gz JXLATKPHVBGVCS-LBPRGKRZSA-N 0 0 388.489 3.388 50 0 GGAARN COc1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 ZINC000000957794 570231775 /nfs/dbraw/zinc/23/17/75/570231775.db2.gz APAMXNBGWKTOFF-LBPRGKRZSA-N 0 0 383.473 3.230 50 0 GGAARN COCC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000004816590 570233577 /nfs/dbraw/zinc/23/35/77/570233577.db2.gz QNCYBHKADXZCCI-RTBURBONSA-N 0 0 380.423 3.439 50 0 GGAARN CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1ccc(F)cc1 ZINC000011610543 570233951 /nfs/dbraw/zinc/23/39/51/570233951.db2.gz VXKHHGHBNMMUND-QFIPXVFZSA-N 0 0 395.434 3.399 50 0 GGAARN O=C(C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1 ZINC000011612921 570234689 /nfs/dbraw/zinc/23/46/89/570234689.db2.gz GJNNJWNMHANVNX-QGZVFWFLSA-N 0 0 376.453 3.398 50 0 GGAARN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1 ZINC000011612922 570234803 /nfs/dbraw/zinc/23/48/03/570234803.db2.gz GJNNJWNMHANVNX-KRWDZBQOSA-N 0 0 376.453 3.398 50 0 GGAARN O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccco1)Cc1ccccc1 ZINC000011615541 570236117 /nfs/dbraw/zinc/23/61/17/570236117.db2.gz VRMCGMIXDMMXRE-UHFFFAOYSA-N 0 0 385.441 3.442 50 0 GGAARN Cc1ccc(-c2c(NCc3ccccc3)oc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000011615587 570236231 /nfs/dbraw/zinc/23/62/31/570236231.db2.gz GMDGVNATBDIDLH-UHFFFAOYSA-N 0 0 375.428 3.418 50 0 GGAARN O=C(c1cc(F)cc2c1OCOC2)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000001035321 570236563 /nfs/dbraw/zinc/23/65/63/570236563.db2.gz DRGWOSGUAZYDRC-UHFFFAOYSA-N 0 0 391.826 3.469 50 0 GGAARN COCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@@H]1c1ccccc1 ZINC000004816901 570236675 /nfs/dbraw/zinc/23/66/75/570236675.db2.gz IWJJIPBZGVAUJM-MSOLQXFVSA-N 0 0 378.432 3.001 50 0 GGAARN Cc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)c1cc(COc2ccc(C)nc2)on1 ZINC000020149167 570244028 /nfs/dbraw/zinc/24/40/28/570244028.db2.gz GVXOKCKXNYZFFR-CQSZACIVSA-N 0 0 383.452 3.141 50 0 GGAARN COc1cc(OC)c(NC(=O)COC(=O)Cc2cccc(F)c2)cc1Cl ZINC000011644369 570246047 /nfs/dbraw/zinc/24/60/47/570246047.db2.gz ANEWZBHMCKHUAD-UHFFFAOYSA-N 0 0 381.787 3.221 50 0 GGAARN COCCCNC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc21 ZINC000004819971 570246704 /nfs/dbraw/zinc/24/67/04/570246704.db2.gz PZRREEMXMNGWQU-UHFFFAOYSA-N 0 0 393.422 3.061 50 0 GGAARN Cc1cc(=O)c(OCc2ccccc2F)cn1CC(=O)NCCc1ccccc1 ZINC000012230437 570251325 /nfs/dbraw/zinc/25/13/25/570251325.db2.gz UCIFJVWQYVKNBM-UHFFFAOYSA-N 0 0 394.446 3.234 50 0 GGAARN O=C(NN1C(=O)c2ccccc2C1=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000001170411 570253088 /nfs/dbraw/zinc/25/30/88/570253088.db2.gz RTPBTAZDIXEUFP-UHFFFAOYSA-N 0 0 391.427 3.146 50 0 GGAARN Cc1ccc(COc2cn(CC(=O)Nc3cccc(F)c3)c(CO)cc2=O)cc1 ZINC000012231176 570253213 /nfs/dbraw/zinc/25/32/13/570253213.db2.gz LUAGOZYWDMPLEN-UHFFFAOYSA-N 0 0 396.418 3.006 50 0 GGAARN CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccc(O)cc2)NC(=S)N1 ZINC000001171736 570253306 /nfs/dbraw/zinc/25/33/06/570253306.db2.gz IYZUFTGKJLTUFU-MRXNPFEDSA-N 0 0 375.400 3.102 50 0 GGAARN COc1ccc(N([C@@H](C)C(=O)Nc2cccc(Cl)c2C)S(C)(=O)=O)cc1 ZINC000001171352 570253322 /nfs/dbraw/zinc/25/33/22/570253322.db2.gz XHBGXFKGXLTMHM-ZDUSSCGKSA-N 0 0 396.896 3.450 50 0 GGAARN COc1ccc(C)cc1NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000001172475 570253328 /nfs/dbraw/zinc/25/33/28/570253328.db2.gz PCMZVCORWOVWIS-UHFFFAOYSA-N 0 0 376.478 3.025 50 0 GGAARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000001175574 570254069 /nfs/dbraw/zinc/25/40/69/570254069.db2.gz CULDUIWTDFVBQN-UHFFFAOYSA-N 0 0 386.395 3.273 50 0 GGAARN O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000001175530 570254086 /nfs/dbraw/zinc/25/40/86/570254086.db2.gz YLKZDIGXNBKJLZ-UHFFFAOYSA-N 0 0 381.457 3.396 50 0 GGAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1CC ZINC000002371882 570254182 /nfs/dbraw/zinc/25/41/82/570254182.db2.gz OXMAHMWJVWGRFS-UHFFFAOYSA-N 0 0 383.477 3.490 50 0 GGAARN CCn1c(SCC(=O)Nc2ccc(OC)cc2OC)nnc1-c1ccncc1 ZINC000003501600 570254570 /nfs/dbraw/zinc/25/45/70/570254570.db2.gz ZDYLQZWGWTZHAO-UHFFFAOYSA-N 0 0 399.476 3.108 50 0 GGAARN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccncc1 ZINC000003501728 570254716 /nfs/dbraw/zinc/25/47/16/570254716.db2.gz CRQLAMWSURMBGL-UHFFFAOYSA-N 0 0 383.477 3.408 50 0 GGAARN CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000048911946 570255301 /nfs/dbraw/zinc/25/53/01/570255301.db2.gz XJUIXLSRLUSUJF-MRXNPFEDSA-N 0 0 391.924 3.420 50 0 GGAARN O=C(NCCN1CCOCC1)NCC12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000020481467 570255405 /nfs/dbraw/zinc/25/54/05/570255405.db2.gz VKLGUGLTTOUUMX-TUUBTQOTSA-N 0 0 397.563 3.156 50 0 GGAARN CCn1nc(C(=O)[O-])c2c1CC[C@@H]([N@H+](C)Cc1cc(-c3ccccc3)on1)C2 ZINC000067983564 570255597 /nfs/dbraw/zinc/25/55/97/570255597.db2.gz DVLQEFKXFHVKLJ-MRXNPFEDSA-N 0 0 380.448 3.246 50 0 GGAARN Cc1cc2nc(C[N@@H+]3CCC[C@@H](CCc4c(F)cccc4F)C3)cc(=O)n2[n-]1 ZINC000102671774 570256620 /nfs/dbraw/zinc/25/66/20/570256620.db2.gz RDGMPBDGCGHAMD-HNNXBMFYSA-N 0 0 386.446 3.454 50 0 GGAARN O=C(CN1CCc2[nH]c3ccc(Cl)cc3c(=O)c2C1)Nc1ccccc1F ZINC000048987846 570256839 /nfs/dbraw/zinc/25/68/39/570256839.db2.gz GWBQTKXJAYYJBN-UHFFFAOYSA-N 0 0 385.826 3.317 50 0 GGAARN CC(=O)c1ccc(N2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)cc1 ZINC000049006241 570257552 /nfs/dbraw/zinc/25/75/52/570257552.db2.gz BWIMOAMNSZVZPE-UHFFFAOYSA-N 0 0 394.500 3.407 50 0 GGAARN CCOc1ccccc1CN1CCN(Cc2ccc(F)cc2F)C[C@H]1CCO ZINC000104374011 570257916 /nfs/dbraw/zinc/25/79/16/570257916.db2.gz NHLNOGOVLPOKSV-HXUWFJFHSA-N 0 0 390.474 3.432 50 0 GGAARN COC(=O)c1ccccc1NC(=O)COc1cc(C)nc(-c2ccc(F)cc2)n1 ZINC000049006933 570258041 /nfs/dbraw/zinc/25/80/41/570258041.db2.gz SERYJUZIGDTDAB-UHFFFAOYSA-N 0 0 395.390 3.395 50 0 GGAARN COc1cc(Cl)c(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)cc1OC ZINC000104425166 570258315 /nfs/dbraw/zinc/25/83/15/570258315.db2.gz XSZSYJVYUICOBH-MRXNPFEDSA-N 0 0 384.948 3.272 50 0 GGAARN Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)cc(-c2ccccn2)n1 ZINC000049007114 570258408 /nfs/dbraw/zinc/25/84/08/570258408.db2.gz USWYEHHCUJSTAR-UHFFFAOYSA-N 0 0 394.456 3.349 50 0 GGAARN Cc1ccc(S(=O)(=O)c2cnc(N(C)Cc3ccccc3)nc2N)cc1C ZINC000049007278 570258417 /nfs/dbraw/zinc/25/84/17/570258417.db2.gz GWEFCUCJBOHZIK-UHFFFAOYSA-N 0 0 382.489 3.145 50 0 GGAARN Cc1ccc(NC(=O)Cn2c(=O)cccc2-c2nc(C3CC3)no2)c(Cl)c1 ZINC000049007917 570258818 /nfs/dbraw/zinc/25/88/18/570258818.db2.gz YLMILBPQDNAING-UHFFFAOYSA-N 0 0 384.823 3.376 50 0 GGAARN Cc1cc(C)c(NC(=O)Cn2nc3ccc(-c4ccccc4)nn3c2=O)c(C)c1 ZINC000049009271 570259150 /nfs/dbraw/zinc/25/91/50/570259150.db2.gz GWQXRVUHXGCSDT-UHFFFAOYSA-N 0 0 387.443 3.122 50 0 GGAARN O=C(CN1CCN(c2ccc(F)cc2)C1=O)Nc1nc(-c2ccco2)cs1 ZINC000049026126 570259239 /nfs/dbraw/zinc/25/92/39/570259239.db2.gz KZTKFUYOGQGMHE-UHFFFAOYSA-N 0 0 386.408 3.423 50 0 GGAARN CCOc1ccccc1CN1CCN(Cc2ccc(OC)cc2)C[C@H]1CCO ZINC000104486087 570259293 /nfs/dbraw/zinc/25/92/93/570259293.db2.gz ZBNYJGNHSHPBJV-OAQYLSRUSA-N 0 0 384.520 3.163 50 0 GGAARN COc1ccc(OCc2noc(CNC(=O)c3ccc4ncsc4c3)n2)cc1 ZINC000049027341 570259921 /nfs/dbraw/zinc/25/99/21/570259921.db2.gz MNPJBFLPXSCSCW-UHFFFAOYSA-N 0 0 396.428 3.197 50 0 GGAARN COc1ccc(CCNC(=O)Cc2csc(Nc3ccccn3)n2)cc1OC ZINC000049029538 570260332 /nfs/dbraw/zinc/26/03/32/570260332.db2.gz QEXLCJTTYPNDPA-UHFFFAOYSA-N 0 0 398.488 3.200 50 0 GGAARN Cc1cccc(Nc2nc(CC(=O)NCCOc3ccc(F)cc3)cs2)n1 ZINC000049029564 570260513 /nfs/dbraw/zinc/26/05/13/570260513.db2.gz PFMKNSAJAPWSOE-UHFFFAOYSA-N 0 0 386.452 3.467 50 0 GGAARN COCc1cc(=O)[nH]c2cc(NC(=O)C(=O)c3c(C)[nH]c4ccccc43)ccc12 ZINC000049031155 570260815 /nfs/dbraw/zinc/26/08/15/570260815.db2.gz WVPLPLCVNMWSSB-UHFFFAOYSA-N 0 0 389.411 3.286 50 0 GGAARN O=C(CCCNC(=O)c1ccc2nsnc2c1)Nc1cccc2cccnc21 ZINC000049030725 570260900 /nfs/dbraw/zinc/26/09/00/570260900.db2.gz GKSULOHXLKOYEK-UHFFFAOYSA-N 0 0 391.456 3.388 50 0 GGAARN Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1ccccc1)C3 ZINC000049003138 570261674 /nfs/dbraw/zinc/26/16/74/570261674.db2.gz FINDCMMFAOJANX-UHFFFAOYSA-N 0 0 381.863 3.487 50 0 GGAARN COc1ccc(-n2nnc(C(=O)NCCc3ccccc3)c2-c2cccnc2)cc1 ZINC000049003577 570261708 /nfs/dbraw/zinc/26/17/08/570261708.db2.gz RGCIWMICFSTZHG-UHFFFAOYSA-N 0 0 399.454 3.310 50 0 GGAARN CCN(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)c1ccc(OC)cc1 ZINC000010537098 570262063 /nfs/dbraw/zinc/26/20/63/570262063.db2.gz YAFILDYKOLMRIJ-UHFFFAOYSA-N 0 0 387.461 3.264 50 0 GGAARN Cc1noc([C@@H]2CCCCN2C(=O)NCc2cnn(Cc3ccccc3)c2)n1 ZINC000287514004 570262060 /nfs/dbraw/zinc/26/20/60/570262060.db2.gz JXIZALGACRYECJ-SFHVURJKSA-N 0 0 380.452 3.060 50 0 GGAARN COCCn1ccc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc21 ZINC000085875372 570262954 /nfs/dbraw/zinc/26/29/54/570262954.db2.gz VVDCUISOPQOPLX-UHFFFAOYSA-N 0 0 382.460 3.277 50 0 biogenic GGAARN Cc1ccccc1COc1cn(CC(=O)Nc2ccccc2F)c(CO)cc1=O ZINC000012231251 570263169 /nfs/dbraw/zinc/26/31/69/570263169.db2.gz ONDMVJBZNQAWRL-UHFFFAOYSA-N 0 0 396.418 3.006 50 0 GGAARN Cc1cc2c(c(=O)[nH]1)[C@@H](c1cc3ccccc3n(CC(C)C)c1=O)CC(=O)O2 ZINC000085876980 570263280 /nfs/dbraw/zinc/26/32/80/570263280.db2.gz ALNJRZPYJIAQBH-OAHLLOKOSA-N 0 0 378.428 3.095 50 0 biogenic GGAARN CCc1ccc([C@H]2C(C(=O)OCCOC)=C(C)N=C3SCCC(=O)N32)cc1 ZINC000002502885 570263292 /nfs/dbraw/zinc/26/32/92/570263292.db2.gz ULLBWXQOLLAKSY-SFHVURJKSA-N 0 0 388.489 3.089 50 0 GGAARN CC[C@@H](C)[C@@H](C(=O)NCCc1ccc(OC)cc1)N1Cc2ccccc2C1=O ZINC000085877006 570263316 /nfs/dbraw/zinc/26/33/16/570263316.db2.gz GBGVFGOYUFBORF-IERDGZPVSA-N 0 0 380.488 3.425 50 0 biogenic GGAARN COc1ccc(Cn2nc3ccc(-c4ccc(Cl)cc4)nn3c2=O)cc1F ZINC000049399396 570263371 /nfs/dbraw/zinc/26/33/71/570263371.db2.gz SNGJASBHFPRXLC-UHFFFAOYSA-N 0 0 384.798 3.407 50 0 GGAARN Cc1ccc(-c2ccc3nn(Cc4ccc(N5CCCC5=O)cc4)c(=O)n3n2)cc1 ZINC000049399384 570263419 /nfs/dbraw/zinc/26/34/19/570263419.db2.gz TWBJYIZNRNSFAT-UHFFFAOYSA-N 0 0 399.454 3.042 50 0 GGAARN COc1ccc(N2CCN(CC(=O)Nc3nc4c(cccc4C)s3)C2=O)cc1 ZINC000049384386 570263464 /nfs/dbraw/zinc/26/34/64/570263464.db2.gz SMUZIJLFSKFKRD-UHFFFAOYSA-N 0 0 396.472 3.494 50 0 GGAARN O=C(Cn1cnc2c(-c3ccncc3)nsc2c1=O)Nc1ccc(Cl)cc1 ZINC000049401660 570264075 /nfs/dbraw/zinc/26/40/75/570264075.db2.gz AKNIPBKFUHQZDP-UHFFFAOYSA-N 0 0 397.847 3.207 50 0 GGAARN Cc1ccccc1NC(=O)CN1CCC(c2nc(-c3ccncc3)no2)CC1 ZINC000049403497 570264501 /nfs/dbraw/zinc/26/45/01/570264501.db2.gz SKTQJXCZQHQYNE-UHFFFAOYSA-N 0 0 377.448 3.258 50 0 GGAARN COc1ccc(C)cc1NC(=O)CSc1nccnc1-n1nc(C)cc1C ZINC000049404436 570264911 /nfs/dbraw/zinc/26/49/11/570264911.db2.gz DRKWCWDGGIOACW-UHFFFAOYSA-N 0 0 383.477 3.327 50 0 GGAARN O=C(Cn1cnc2c(c1=O)CCCC2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000049404597 570264980 /nfs/dbraw/zinc/26/49/80/570264980.db2.gz JNWCWDWKTQUODX-UHFFFAOYSA-N 0 0 385.773 3.433 50 0 GGAARN O=C(NC1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1)c1cccc(F)c1 ZINC000049406539 570265274 /nfs/dbraw/zinc/26/52/74/570265274.db2.gz ZOMHCTIMIUAPJQ-UHFFFAOYSA-N 0 0 398.463 3.312 50 0 GGAARN CCc1cccc(NC(=O)c2nc(-c3cn(Cc4ccc(F)cc4)nn3)no2)c1 ZINC000049410318 570266077 /nfs/dbraw/zinc/26/60/77/570266077.db2.gz PBDHMUYZXMZUIV-UHFFFAOYSA-N 0 0 392.394 3.330 50 0 GGAARN Cc1ccc(NC(=O)c2nc(-c3cn(-c4ccc(F)cc4)nn3)no2)c(C)c1 ZINC000049410283 570266095 /nfs/dbraw/zinc/26/60/95/570266095.db2.gz XBAAAIFHIYPXSL-UHFFFAOYSA-N 0 0 378.367 3.326 50 0 GGAARN COc1ccc(-c2nc(-c3nnn(-c4ccc(F)cc4)c3C)no2)cc1OC ZINC000049410201 570266130 /nfs/dbraw/zinc/26/61/30/570266130.db2.gz UZORTYVCUZYROF-UHFFFAOYSA-N 0 0 381.367 3.449 50 0 GGAARN COc1ccc(-c2nc(-c3cn(Cc4cccc(F)c4)nn3)no2)c(OC)c1 ZINC000049410175 570266150 /nfs/dbraw/zinc/26/61/50/570266150.db2.gz ZIIBYKOSPJNDQF-UHFFFAOYSA-N 0 0 381.367 3.200 50 0 GGAARN Cc1ccc(NC(=O)c2nc(-c3cn(-c4ccc(F)cc4)nn3)no2)cc1C ZINC000049410281 570266171 /nfs/dbraw/zinc/26/61/71/570266171.db2.gz WYJPPRWMRMMZLW-UHFFFAOYSA-N 0 0 378.367 3.326 50 0 GGAARN COC(=O)c1cccc(-c2nc(-c3nnn(-c4ccc(F)cc4)c3C)no2)c1 ZINC000049410193 570266200 /nfs/dbraw/zinc/26/62/00/570266200.db2.gz ICKQNKWDVXLPKL-UHFFFAOYSA-N 0 0 379.351 3.218 50 0 GGAARN CCOc1ccc(NC(=O)c2cn(-c3cc(N4CCCCC4)ncn3)cn2)cc1 ZINC000049411218 570266558 /nfs/dbraw/zinc/26/65/58/570266558.db2.gz VIXSAMVGQOXLHQ-UHFFFAOYSA-N 0 0 392.463 3.304 50 0 GGAARN Cc1cc(C)cc(NC(=O)Cc2nnc3cc(-c4nc(C5CC5)no4)ccn32)c1 ZINC000049420840 570266734 /nfs/dbraw/zinc/26/67/34/570266734.db2.gz YXKUVCMYOKECLA-UHFFFAOYSA-N 0 0 388.431 3.455 50 0 GGAARN O=C(NC1CC1)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000049421120 570267039 /nfs/dbraw/zinc/26/70/39/570267039.db2.gz RMULVHSAJKOFBE-AWEZNQCLSA-N 0 0 394.500 3.147 50 0 GGAARN O=C(Nc1nnc(-c2ccsc2)o1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000049449009 570267518 /nfs/dbraw/zinc/26/75/18/570267518.db2.gz BCCKCMWHXMLZKY-NSHDSACASA-N 0 0 388.836 3.443 50 0 GGAARN CCCCOc1ccc(NC(=O)N2CC(c3nc(-c4ncccn4)no3)C2)cc1 ZINC000049483249 570267938 /nfs/dbraw/zinc/26/79/38/570267938.db2.gz AFSVCLQHDOSDHM-UHFFFAOYSA-N 0 0 394.435 3.337 50 0 GGAARN CCCOc1ccc(-c2nc3s/c(=C\c4ccc(C)cc4)c(=O)n3n2)cc1 ZINC000001795660 570268646 /nfs/dbraw/zinc/26/86/46/570268646.db2.gz FZSXBQVFZKAFSX-AQTBWJFISA-N 0 0 377.469 3.463 50 0 GGAARN CSc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)n2)cc1 ZINC000049546788 570269078 /nfs/dbraw/zinc/26/90/78/570269078.db2.gz FNZUKRJBIUJJHU-UHFFFAOYSA-N 0 0 383.448 3.088 50 0 GGAARN CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 ZINC000001833296 570269294 /nfs/dbraw/zinc/26/92/94/570269294.db2.gz XSCJSBLYHOGFJL-AWEZNQCLSA-N 0 0 382.416 3.196 50 0 GGAARN O=C(NCc1ccncc1)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 ZINC000049548977 570269324 /nfs/dbraw/zinc/26/93/24/570269324.db2.gz VLTWIEJKHWLNJK-UHFFFAOYSA-N 0 0 379.370 3.266 50 0 GGAARN CC(C)C[C@H]1Nc2ccccc2C(=O)N1CC(=O)Nc1nnc(C2CC2)s1 ZINC000049551077 570269630 /nfs/dbraw/zinc/26/96/30/570269630.db2.gz JEZMQNOUUIXSHT-HNNXBMFYSA-N 0 0 385.493 3.294 50 0 GGAARN COCC(=O)N1CCCc2ccc(NC(=O)C3(c4ccc(F)cc4)CC3)cc21 ZINC000049505884 570270291 /nfs/dbraw/zinc/27/02/91/570270291.db2.gz XTPAKURHUFCSHA-UHFFFAOYSA-N 0 0 382.435 3.422 50 0 GGAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc4c(c3)CCC(=O)N4)n[nH]2)c1 ZINC000049507007 570270417 /nfs/dbraw/zinc/27/04/17/570270417.db2.gz UFKSNIWVFCZSEQ-UHFFFAOYSA-N 0 0 392.415 3.231 50 0 GGAARN CN(C[C@@H]1CC(=O)N(C)C1)C(=O)NCc1ccc(-c2ccccc2Cl)o1 ZINC000584901216 570270672 /nfs/dbraw/zinc/27/06/72/570270672.db2.gz NVHPHJDCZZSRCK-CYBMUJFWSA-N 0 0 375.856 3.220 50 0 GGAARN COC(=O)c1ccccc1Cn1cc(OCc2ccccc2)c(=O)cc1C=O ZINC000002532467 570270730 /nfs/dbraw/zinc/27/07/30/570270730.db2.gz VHXLTQNUQCQTNA-UHFFFAOYSA-N 0 0 377.396 3.075 50 0 GGAARN COC(=O)[C@@](O)(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(F)(F)F ZINC000002761218 570270757 /nfs/dbraw/zinc/27/07/57/570270757.db2.gz WWMUZIHLIBMQJO-KRWDZBQOSA-N 0 0 383.322 3.274 50 0 GGAARN COc1cccc(C(=O)Nc2nc3ccc(CN4CCOCC4)cc3s2)c1 ZINC000049597424 570270804 /nfs/dbraw/zinc/27/08/04/570270804.db2.gz FEEULOJCQSUSFF-UHFFFAOYSA-N 0 0 383.473 3.389 50 0 GGAARN CCN(Cc1noc(C2CC2)n1)C(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000584903439 570272307 /nfs/dbraw/zinc/27/23/07/570272307.db2.gz XLYVUYTWSOMYRZ-QGZVFWFLSA-N 0 0 380.452 3.002 50 0 GGAARN CN(C)c1ccc(C(=O)N2N=C(c3ccccc3)C[C@@]2(O)C(F)(F)F)cc1 ZINC000049992052 570272922 /nfs/dbraw/zinc/27/29/22/570272922.db2.gz KIKJZXWVBTUCNF-GOSISDBHSA-N 0 0 377.366 3.254 50 0 GGAARN CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000005875708 570274176 /nfs/dbraw/zinc/27/41/76/570274176.db2.gz OOEKXRMALPTNQH-MBNYWOFBSA-N 0 0 397.258 3.133 50 0 GGAARN CCOc1cc(C=O)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000002142327 570275860 /nfs/dbraw/zinc/27/58/60/570275860.db2.gz JFLLANTTWIYCBL-UHFFFAOYSA-N 0 0 397.836 3.277 50 0 GGAARN COc1ccc(C=CC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1OC ZINC000002153501 570276419 /nfs/dbraw/zinc/27/64/19/570276419.db2.gz YTTWNZPXZIPFBH-SOFGYWHQSA-N 0 0 381.432 3.301 50 0 biogenic GGAARN CC(C)C[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O ZINC000002191097 570278431 /nfs/dbraw/zinc/27/84/31/570278431.db2.gz CJASOPDKAGPPCZ-SFHVURJKSA-N 0 0 397.402 3.263 50 0 GGAARN COc1cccc(-c2noc(CCC(=O)Nc3ccc(NC(C)=O)cc3)n2)c1 ZINC000002212346 570279085 /nfs/dbraw/zinc/27/90/85/570279085.db2.gz VUVVLDQSBAROJE-UHFFFAOYSA-N 0 0 380.404 3.275 50 0 GGAARN O=C(NCc1ccco1)c1cc2c(nc3ccccn3c2=O)n1Cc1ccccc1 ZINC000002208388 570279136 /nfs/dbraw/zinc/27/91/36/570279136.db2.gz NPTDTAFTQYKURR-UHFFFAOYSA-N 0 0 398.422 3.221 50 0 GGAARN COc1cccc([C@@H]2N=C(Nc3ccc(C)cc3)Nc3nc(C)cc(=O)n32)c1 ZINC000002229617 570279859 /nfs/dbraw/zinc/27/98/59/570279859.db2.gz XDNISWQEQUNLHZ-LJQANCHMSA-N 0 0 375.432 3.118 50 0 GGAARN CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccccc1OC)C(F)(F)F ZINC000002270725 570280675 /nfs/dbraw/zinc/28/06/75/570280675.db2.gz XNLRSCHQBIZYPS-GOSISDBHSA-N 0 0 396.365 3.359 50 0 GGAARN COc1cccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000002258189 570280783 /nfs/dbraw/zinc/28/07/83/570280783.db2.gz JWONCOYLFQKZLL-UHFFFAOYSA-N 0 0 383.400 3.043 50 0 GGAARN CCCOc1ccc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2cccs2)C3)cc1 ZINC000011665705 570283072 /nfs/dbraw/zinc/28/30/72/570283072.db2.gz IWUDXVHTSJCEAS-GOSISDBHSA-N 0 0 383.473 3.187 50 0 GGAARN CSc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(Cc2ccc(F)cc2)C3)cc1 ZINC000011665706 570283079 /nfs/dbraw/zinc/28/30/79/570283079.db2.gz CJDMMMADWPSHTP-SFHVURJKSA-N 0 0 383.448 3.198 50 0 GGAARN COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c5cc(OC)ccc5[nH]c4[C@@H]3C[C@H]12 ZINC000053201251 570283336 /nfs/dbraw/zinc/28/33/36/570283336.db2.gz DTDADHMBRZKXSC-GKASHWOUSA-N 0 0 382.460 3.187 50 0 biogenic,in-vitro GGAARN CCCCCCn1c(SCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000002348535 570283545 /nfs/dbraw/zinc/28/35/45/570283545.db2.gz UMNQIIQLDOWXAB-UHFFFAOYSA-N 0 0 386.521 3.306 50 0 GGAARN COC(=O)CN(c1ccc(F)cc1)[C@H]1SC(=O)N(Cc2ccccc2)C1=O ZINC000012289125 570283780 /nfs/dbraw/zinc/28/37/80/570283780.db2.gz QYCLTLRFDSTVPU-SFHVURJKSA-N 0 0 388.420 3.027 50 0 GGAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1N ZINC000002351614 570283831 /nfs/dbraw/zinc/28/38/31/570283831.db2.gz QOVSSGIPLVHLOC-UHFFFAOYSA-N 0 0 389.868 3.052 50 0 GGAARN CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccncc1 ZINC000002359031 570284290 /nfs/dbraw/zinc/28/42/90/570284290.db2.gz YOYLARQFSFHCQZ-UHFFFAOYSA-N 0 0 382.493 3.157 50 0 GGAARN CCCNC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc21 ZINC000002359274 570284303 /nfs/dbraw/zinc/28/43/03/570284303.db2.gz DXMJTUNVVLBYBJ-UHFFFAOYSA-N 0 0 375.432 3.304 50 0 GGAARN O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)c1ccccc1 ZINC000002391503 570285669 /nfs/dbraw/zinc/28/56/69/570285669.db2.gz VSDXFEUNBNLSPF-UHFFFAOYSA-N 0 0 377.429 3.351 50 0 GGAARN O=C(N[C@H]1CCCN(Cc2ccccc2F)C1)c1ccc(Cn2cccn2)o1 ZINC000215129389 570285704 /nfs/dbraw/zinc/28/57/04/570285704.db2.gz BLZFKGXDPPDFGA-KRWDZBQOSA-N 0 0 382.439 3.058 50 0 GGAARN CC(C)CCNC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc3ccccc3nc21 ZINC000002403436 570285928 /nfs/dbraw/zinc/28/59/28/570285928.db2.gz BNMHIXQQVOUKIS-AWEZNQCLSA-N 0 0 381.480 3.122 50 0 GGAARN Cc1ccc(Nc2nc(N)nc(CSc3nnc(-c4ccncc4)o3)n2)cc1 ZINC000002421180 570286535 /nfs/dbraw/zinc/28/65/35/570286535.db2.gz OHURVONIVQCPGB-UHFFFAOYSA-N 0 0 392.448 3.243 50 0 GGAARN Cn1nc(-c2ccc(OCC(=O)Nc3cccnc3)cc2)c2ccccc2c1=O ZINC000002433143 570286864 /nfs/dbraw/zinc/28/68/64/570286864.db2.gz JEZOQRYWXFPKHY-UHFFFAOYSA-N 0 0 386.411 3.013 50 0 GGAARN COc1ccc(NC(=O)CCc2c(C)c3ccc(O)cc3oc2=O)cc1OC ZINC000012898956 570287331 /nfs/dbraw/zinc/28/73/31/570287331.db2.gz VNXQMGOCFGNCBH-UHFFFAOYSA-N 0 0 383.400 3.396 50 0 biogenic GGAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCC(=O)OC(C)(C)C)cc2oc1=O ZINC000002447864 570287577 /nfs/dbraw/zinc/28/75/77/570287577.db2.gz VRSLXYYEJONSTN-UHFFFAOYSA-N 0 0 396.823 3.191 50 0 GGAARN COC(=O)c1ccc(COc2ccc3nc4n(c(=O)c3c2)CCCCC4)cc1 ZINC000012899948 570287673 /nfs/dbraw/zinc/28/76/73/570287673.db2.gz IUOUSSRYVLGXAX-UHFFFAOYSA-N 0 0 378.428 3.489 50 0 biogenic GGAARN O=C(N[C@@H]1CCCN(Cc2cccc(O)c2)C1)c1cnoc1-c1ccccc1 ZINC000215343516 570287705 /nfs/dbraw/zinc/28/77/05/570287705.db2.gz ZELHPPUKPCLGDQ-GOSISDBHSA-N 0 0 377.444 3.442 50 0 GGAARN COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccs2)c(OC)c1 ZINC000002480333 570288222 /nfs/dbraw/zinc/28/82/22/570288222.db2.gz OJYVFKUMTINPJU-MRXNPFEDSA-N 0 0 389.502 3.197 50 0 GGAARN COc1cccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)c1 ZINC000012901623 570288484 /nfs/dbraw/zinc/28/84/84/570288484.db2.gz SYUQTGVHEPUEJT-UHFFFAOYSA-N 0 0 393.443 3.149 50 0 biogenic GGAARN O=C(COc1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1)N1CCCC1 ZINC000215430480 570289042 /nfs/dbraw/zinc/28/90/42/570289042.db2.gz ZENBFYNLYRJDCQ-JOCHJYFZSA-N 0 0 380.488 3.261 50 0 GGAARN CC(C)OCCCNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 ZINC000004822114 570289267 /nfs/dbraw/zinc/28/92/67/570289267.db2.gz GWPVXTODCKGZSC-UHFFFAOYSA-N 0 0 390.505 3.057 50 0 GGAARN Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2nc(C)c(C)cc2=O)ccc1F ZINC000102534330 570289481 /nfs/dbraw/zinc/28/94/81/570289481.db2.gz HLBALLZINFQEMG-REPLKXPHSA-N 0 0 383.467 3.245 50 0 GGAARN COc1ccccc1N1CCN(C(=O)c2cnn(-c3ccccc3)c2C)CC1 ZINC000010741922 570290055 /nfs/dbraw/zinc/29/00/55/570290055.db2.gz FVMGRKMENAKSKF-UHFFFAOYSA-N 0 0 376.460 3.152 50 0 GGAARN CCOc1ccccc1/C=c1/sc2nc(-c3ccc(Cl)cc3)nn2c1=O ZINC000002533667 570290053 /nfs/dbraw/zinc/29/00/53/570290053.db2.gz JCRLSNTYHSQJTG-LFIBNONCSA-N 0 0 383.860 3.418 50 0 GGAARN O=C(CCCNC(=O)N1CCc2c3ccccc3[nH]c2C1)Nc1cccc(O)c1 ZINC000012296938 570293543 /nfs/dbraw/zinc/29/35/43/570293543.db2.gz FDRFTCMAHGVMRM-UHFFFAOYSA-N 0 0 392.459 3.360 50 0 biogenic GGAARN Cc1cc(C(F)(F)F)n2nc(C(=O)NCCCOc3ccccc3)cc2n1 ZINC000216026303 570294645 /nfs/dbraw/zinc/29/46/45/570294645.db2.gz KXHXUYBIGJQKLU-UHFFFAOYSA-N 0 0 378.354 3.255 50 0 GGAARN Cc1nn(C)c2nc(C)cc(C(=O)N(C)Cc3c[nH]nc3-c3ccc(F)cc3)c12 ZINC000216026850 570294679 /nfs/dbraw/zinc/29/46/79/570294679.db2.gz MQXSBJSFEYIYQG-UHFFFAOYSA-N 0 0 392.438 3.387 50 0 GGAARN CCCCOc1ccc(-c2nc3s/c(=C\c4ccc(C)o4)c(=O)n3n2)cc1 ZINC000002673217 570294841 /nfs/dbraw/zinc/29/48/41/570294841.db2.gz UBDDMGLURPYGQB-ATVHPVEESA-N 0 0 381.457 3.446 50 0 GGAARN CS(=O)(=O)c1ccc(CN2CCC([C@H](O)CCc3ccccc3)CC2)cc1 ZINC000216048590 570295326 /nfs/dbraw/zinc/29/53/26/570295326.db2.gz UQOKDVYDYWZGAR-JOCHJYFZSA-N 0 0 387.545 3.296 50 0 GGAARN COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002696589 570295441 /nfs/dbraw/zinc/29/54/41/570295441.db2.gz BUJSMMYBRHUHAD-UHFFFAOYSA-N 0 0 394.924 3.476 50 0 GGAARN COc1cccc(C(=O)N2NC(C(F)(F)F)=C[C@]2(O)c2cccc(OC)c2)c1 ZINC000000705333 570296333 /nfs/dbraw/zinc/29/63/33/570296333.db2.gz XNGVOMIWANUYOM-SFHVURJKSA-N 0 0 394.349 3.313 50 0 GGAARN Nc1cc(=O)nc(SCC(=O)Nc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000002746271 570297939 /nfs/dbraw/zinc/29/79/39/570297939.db2.gz YJULASCFBFZPRU-UHFFFAOYSA-N 0 0 386.864 3.199 50 0 GGAARN CC[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1nnc(C(C)C)s1 ZINC000002746341 570297958 /nfs/dbraw/zinc/29/79/58/570297958.db2.gz BOFKMZHIWCQRBR-LBPRGKRZSA-N 0 0 389.510 3.147 50 0 GGAARN COc1ccc(Cl)cc1C(=O)NCCNC(=O)c1cc(Cl)ccc1OC ZINC000002749827 570298085 /nfs/dbraw/zinc/29/80/85/570298085.db2.gz LLYUKNJNBHTBGJ-UHFFFAOYSA-N 0 0 397.258 3.170 50 0 GGAARN CC(=O)c1cc(CC(=O)NCC2(N3CCOCC3)CCCCCC2)cs1 ZINC000216312822 570298569 /nfs/dbraw/zinc/29/85/69/570298569.db2.gz TWSWRTCHGRDOKL-UHFFFAOYSA-N 0 0 378.538 3.035 50 0 GGAARN 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CSCC[C@@H](C(=O)N1CCN(CCOc2ccccc2)CC1)n1cccc1 ZINC000575442996 570313501 /nfs/dbraw/zinc/31/35/01/570313501.db2.gz MHJRKKDDQQKVML-FQEVSTJZSA-N 0 0 387.549 3.006 50 0 GGAARN COCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000002871886 570313848 /nfs/dbraw/zinc/31/38/48/570313848.db2.gz MTIFBUIWIOCBAV-UHFFFAOYSA-N 0 0 390.505 3.179 50 0 GGAARN CCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000002871151 570313909 /nfs/dbraw/zinc/31/39/09/570313909.db2.gz VADMEMRVPKCMAY-UHFFFAOYSA-N 0 0 396.896 3.170 50 0 GGAARN CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 ZINC000002873964 570314117 /nfs/dbraw/zinc/31/41/17/570314117.db2.gz BFYWAMIKKRAKAC-FQEVSTJZSA-N 0 0 396.443 3.422 50 0 GGAARN Cc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000002872894 570314289 /nfs/dbraw/zinc/31/42/89/570314289.db2.gz AENPNRWNUGDTPX-UHFFFAOYSA-N 0 0 399.472 3.065 50 0 GGAARN COCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000012323917 570314664 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CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC4)nc(N)c32)cc1 ZINC000012324781 570315433 /nfs/dbraw/zinc/31/54/33/570315433.db2.gz XPFYIZWAMAOEKL-OAHLLOKOSA-N 0 0 394.479 3.496 50 0 GGAARN COc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1Cl ZINC000002881961 570315607 /nfs/dbraw/zinc/31/56/07/570315607.db2.gz BLNWGRYJSFUSSW-CYBMUJFWSA-N 0 0 396.896 3.450 50 0 GGAARN COC(=O)C1=CN(Cc2cccs2)C=C(C(=O)OC)C1c1cccc(O)c1 ZINC000002881085 570315629 /nfs/dbraw/zinc/31/56/29/570315629.db2.gz SFTXZAQSIAHULA-UHFFFAOYSA-N 0 0 385.441 3.167 50 0 GGAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1cnn3cccnc13)CCCC2 ZINC000002884941 570316394 /nfs/dbraw/zinc/31/63/94/570316394.db2.gz MJIDRSPWCHTAPB-UHFFFAOYSA-N 0 0 384.461 3.487 50 0 GGAARN CCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000002886540 570316748 /nfs/dbraw/zinc/31/67/48/570316748.db2.gz MBRSHFGIBARSDN-UHFFFAOYSA-N 0 0 396.512 3.209 50 0 GGAARN CC[C@H](C)[C@@H](NC(C)=O)C(=O)NC(=O)NC(c1ccccc1)c1ccccc1 ZINC000002898317 570317346 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O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000220862759 570328519 /nfs/dbraw/zinc/32/85/19/570328519.db2.gz FNNCAZYKWSWLKO-AWEZNQCLSA-N 0 0 388.431 3.103 50 0 GGAARN O=C(c1cc(F)ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000072331374 570328559 /nfs/dbraw/zinc/32/85/59/570328559.db2.gz VBGFRHUBCFAKJX-UHFFFAOYSA-N 0 0 376.815 3.166 50 0 GGAARN COc1ccc(NC(=O)CCSc2nnnn2-c2ccccc2Cl)cc1 ZINC000011690400 570328836 /nfs/dbraw/zinc/32/88/36/570328836.db2.gz JBDJWPNCGRUHMD-UHFFFAOYSA-N 0 0 389.868 3.445 50 0 GGAARN COC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-c3ccoc3)o2)cc1 ZINC000575609282 570332259 /nfs/dbraw/zinc/33/22/59/570332259.db2.gz ALNBTRGLKNDSHA-UHFFFAOYSA-N 0 0 376.390 3.196 50 0 GGAARN Cc1cccc2c1ncn(CCCC(=O)N(C)Cc1ccc(F)cc1F)c2=O ZINC000022895718 570333369 /nfs/dbraw/zinc/33/33/69/570333369.db2.gz PFNYPJPNCUTCNI-UHFFFAOYSA-N 0 0 385.414 3.422 50 0 GGAARN Cc1cc(O[C@H]2CCCN(C(=O)c3cc(-c4cccs4)nn3C)C2)nc(C)n1 ZINC000575610614 570333895 /nfs/dbraw/zinc/33/38/95/570333895.db2.gz 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ZINC000218567721 570337000 /nfs/dbraw/zinc/33/70/00/570337000.db2.gz GOZVCVQHVBWHCO-UHFFFAOYSA-N 0 0 375.428 3.154 50 0 GGAARN O=C(CCC(=O)N1CCC[C@H](Oc2ncc(F)cn2)C1)c1ccc(Cl)cc1 ZINC000575612559 570337362 /nfs/dbraw/zinc/33/73/62/570337362.db2.gz LFYRZUYIBMQBDV-INIZCTEOSA-N 0 0 391.830 3.302 50 0 GGAARN O=C(COc1ccc(Cl)cc1Cl)NCCn1cc(-c2ccncc2)cn1 ZINC000575612516 570337465 /nfs/dbraw/zinc/33/74/65/570337465.db2.gz GKIGKRMPORENOH-UHFFFAOYSA-N 0 0 391.258 3.447 50 0 GGAARN O=S(=O)(NCCn1cc(-c2ccncc2)cn1)c1cccc2ccccc21 ZINC000575612848 570337636 /nfs/dbraw/zinc/33/76/36/570337636.db2.gz MNCLMPVZEOAAEQ-UHFFFAOYSA-N 0 0 378.457 3.077 50 0 GGAARN COc1ccc(CC(=O)N2CCC[C@@H](Oc3ccncc3Cl)C2)cc1OC ZINC000575612726 570337791 /nfs/dbraw/zinc/33/77/91/570337791.db2.gz LVQHDIVHNIDTCW-OAHLLOKOSA-N 0 0 390.867 3.365 50 0 GGAARN COc1ccc(CCC(=O)NC[C@@](O)(c2ccccc2)C2CCOCC2)cc1 ZINC000575613094 570338042 /nfs/dbraw/zinc/33/80/42/570338042.db2.gz PJPWPOWICJKIIY-HSZRJFAPSA-N 0 0 383.488 3.058 50 0 GGAARN Cc1cc(C)n([C@H](CNC(=O)C(=O)Nc2cccc(C)c2C)c2ccco2)n1 ZINC000575613330 570338454 /nfs/dbraw/zinc/33/84/54/570338454.db2.gz FRZZHACRTFWFQQ-GOSISDBHSA-N 0 0 380.448 3.054 50 0 GGAARN O=C(Cc1c(F)cccc1Cl)NC[C@@](O)(c1ccccc1)C1CCOCC1 ZINC000575613248 570338497 /nfs/dbraw/zinc/33/84/97/570338497.db2.gz QMWLDRCACCQFIV-OAQYLSRUSA-N 0 0 391.870 3.452 50 0 GGAARN Cc1nn(CCNC(=O)c2cnn(-c3ccccc3)n2)c(C)c1-c1cccs1 ZINC000575613191 570338499 /nfs/dbraw/zinc/33/84/99/570338499.db2.gz WSIUECRNVOCMPS-UHFFFAOYSA-N 0 0 392.488 3.239 50 0 GGAARN O=C(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 ZINC000575613177 570338510 /nfs/dbraw/zinc/33/85/10/570338510.db2.gz PIOFHARAFXEION-CQSZACIVSA-N 0 0 385.317 3.198 50 0 GGAARN CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)n2cccn2)cc1F ZINC000575613464 570338866 /nfs/dbraw/zinc/33/88/66/570338866.db2.gz HWCMAITXHJOGMU-INIZCTEOSA-N 0 0 395.481 3.050 50 0 GGAARN Cc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1 ZINC000011691787 570339019 /nfs/dbraw/zinc/33/90/19/570339019.db2.gz HDJRWJZWECDZGG-RLFYNMQTSA-N 0 0 394.418 3.264 50 0 GGAARN COc1ccc(CCC(=O)N2CCC[C@H](Oc3ncc(Cl)cn3)C2)cc1 ZINC000575613703 570339212 /nfs/dbraw/zinc/33/92/12/570339212.db2.gz SEPFNUUWDFOWKK-KRWDZBQOSA-N 0 0 375.856 3.141 50 0 GGAARN COc1ccc(CCC(=O)N2CCC[C@@H](Oc3ncc(Cl)cn3)C2)cc1 ZINC000575613704 570339215 /nfs/dbraw/zinc/33/92/15/570339215.db2.gz SEPFNUUWDFOWKK-QGZVFWFLSA-N 0 0 375.856 3.141 50 0 GGAARN O=S(=O)(NC[C@@H](c1ccco1)n1cccn1)c1cccc(C(F)(F)F)c1 ZINC000575614012 570340007 /nfs/dbraw/zinc/34/00/07/570340007.db2.gz NZSPXJAYOLVDMN-AWEZNQCLSA-N 0 0 385.367 3.063 50 0 GGAARN O=C(c1cccc(OC(F)(F)F)c1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575614285 570340179 /nfs/dbraw/zinc/34/01/79/570340179.db2.gz YLUHOLVWVVCXEW-ZDUSSCGKSA-N 0 0 387.745 3.322 50 0 GGAARN O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575614179 570340212 /nfs/dbraw/zinc/34/02/12/570340212.db2.gz XMVUEHVWDUWLBR-HNNXBMFYSA-N 0 0 383.345 3.247 50 0 GGAARN CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccco1)n1nc(C)cc1C ZINC000575614417 570340490 /nfs/dbraw/zinc/34/04/90/570340490.db2.gz SFUTXEFUMUNXEY-INIZCTEOSA-N 0 0 398.488 3.159 50 0 GGAARN CCCCNC(=O)Cc1csc(SCC(=O)c2ccc3c(c2)OCO3)n1 ZINC000011695028 570343250 /nfs/dbraw/zinc/34/32/50/570343250.db2.gz ROFSPGNMLJZSRB-UHFFFAOYSA-N 0 0 392.502 3.306 50 0 GGAARN COc1ccc(CC(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)cc1 ZINC000218914029 570343511 /nfs/dbraw/zinc/34/35/11/570343511.db2.gz AXIJPDPVNFTMMX-MCSCQSGASA-N 0 0 376.456 3.414 50 0 GGAARN Cc1ccc(-n2ccnc2N2CCN(CC(=O)Nc3ccccc3C)CC2)cc1 ZINC000011695756 570343935 /nfs/dbraw/zinc/34/39/35/570343935.db2.gz XGDKIARKXHSATK-UHFFFAOYSA-N 0 0 389.503 3.250 50 0 GGAARN COC(=O)c1ccc(NC(=O)Cn2cc(-c3nnc(C)o3)c3ccccc32)cc1 ZINC000011695935 570344026 /nfs/dbraw/zinc/34/40/26/570344026.db2.gz PBTSICOHFRIEOQ-UHFFFAOYSA-N 0 0 390.399 3.425 50 0 GGAARN Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1-c1ccccc1 ZINC000003385851 570344054 /nfs/dbraw/zinc/34/40/54/570344054.db2.gz 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O=C(CSc1nnc(NC(=O)Nc2ccc(F)cc2)s1)NC1CCCC1 ZINC000004851260 570347095 /nfs/dbraw/zinc/34/70/95/570347095.db2.gz FOEBWWGTDNWFPU-UHFFFAOYSA-N 0 0 395.485 3.472 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)c1nnn(Cc2cccc(Cl)c2)c1N ZINC000004852393 570347430 /nfs/dbraw/zinc/34/74/30/570347430.db2.gz BMPKMYZWLFVLRD-UHFFFAOYSA-N 0 0 392.246 3.476 50 0 GGAARN NC(=O)c1oc2ccccc2c1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000004852050 570347474 /nfs/dbraw/zinc/34/74/74/570347474.db2.gz BPHVLSJBMZHNKD-NSHDSACASA-N 0 0 397.818 3.177 50 0 GGAARN CCOc1ccc(-n2ccnc(SCC(=O)NC3CCCCC3)c2=O)cc1 ZINC000004853204 570347751 /nfs/dbraw/zinc/34/77/51/570347751.db2.gz QWNJZHLMWPTPDL-UHFFFAOYSA-N 0 0 387.505 3.172 50 0 GGAARN COc1ccc(-n2ccnc(SCC(=O)NCCC(C)C)c2=O)cc1Cl ZINC000004853025 570347780 /nfs/dbraw/zinc/34/77/80/570347780.db2.gz ATQFNVFVGXMGNO-UHFFFAOYSA-N 0 0 395.912 3.149 50 0 GGAARN COc1ccccc1-n1ccnc(SCC(=O)Nc2ccc(C)c(F)c2)c1=O ZINC000004853163 570347813 /nfs/dbraw/zinc/34/78/13/570347813.db2.gz CWKLBZSSPUPGKY-UHFFFAOYSA-N 0 0 399.447 3.419 50 0 GGAARN Cc1ccc(-n2ccnc(SCC(=O)NC3CCCCC3)c2=O)cc1F ZINC000004853085 570347864 /nfs/dbraw/zinc/34/78/64/570347864.db2.gz PCWYRPQYBJHQGL-UHFFFAOYSA-N 0 0 375.469 3.221 50 0 GGAARN CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1ccc(F)cc1 ZINC000004853559 570348456 /nfs/dbraw/zinc/34/84/56/570348456.db2.gz FNYJWBVKXSDYMK-UHFFFAOYSA-N 0 0 382.391 3.436 50 0 GGAARN C[C@@H]1c2cc(S(=O)(=O)NCc3ccccc3Cl)cc3c2N(CCC3)C1=O ZINC000004850694 570348458 /nfs/dbraw/zinc/34/84/58/570348458.db2.gz AYFPVIBQKPHTMX-GFCCVEGCSA-N 0 0 390.892 3.215 50 0 GGAARN COc1ccc(C)cc1NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000003612671 570348894 /nfs/dbraw/zinc/34/88/94/570348894.db2.gz GDKSHUGUNNFVJA-INIZCTEOSA-N 0 0 390.505 3.414 50 0 GGAARN O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000006257532 570350308 /nfs/dbraw/zinc/35/03/08/570350308.db2.gz MIYXOADKZKQBAD-UHFFFAOYSA-N 0 0 378.413 3.111 50 0 GGAARN CCn1ccc2cc(C(=O)N[C@H]3CC(=O)N(CCc4ccccc4)C3)ccc21 ZINC000072154565 570351299 /nfs/dbraw/zinc/35/12/99/570351299.db2.gz LKASKVOLSCOTDQ-FQEVSTJZSA-N 0 0 375.472 3.235 50 0 GGAARN COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](c1ccsc1)n1cccn1 ZINC000575614625 570352400 /nfs/dbraw/zinc/35/24/00/570352400.db2.gz ZHXQWPARWSXGLN-INIZCTEOSA-N 0 0 391.518 3.138 50 0 GGAARN Cc1nn(CCNC(=O)/C=C/c2ccc3c(c2)OCO3)c(C)c1-c1ccco1 ZINC000575614673 570352461 /nfs/dbraw/zinc/35/24/61/570352461.db2.gz ALJZECDWXYGKME-SOFGYWHQSA-N 0 0 379.416 3.318 50 0 GGAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCn1cc(-c2ccoc2)cn1 ZINC000575614701 570352468 /nfs/dbraw/zinc/35/24/68/570352468.db2.gz BOIBZPUMEORULH-UHFFFAOYSA-N 0 0 399.394 3.282 50 0 GGAARN COc1ccc(S(=O)(=O)NCCn2nc(C)c(-c3ccsc3)c2C)cc1 ZINC000575614762 570352596 /nfs/dbraw/zinc/35/25/96/570352596.db2.gz GACHYPDYDIFMPK-UHFFFAOYSA-N 0 0 391.518 3.216 50 0 GGAARN Cc1nc2ccccc2n1[C@H]1CCN(C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000575615103 570353130 /nfs/dbraw/zinc/35/31/30/570353130.db2.gz BIVCFMMDLFITOX-SFHVURJKSA-N 0 0 392.459 3.045 50 0 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Cc1ccc(OCC(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)cc1C ZINC000004731378 570398923 /nfs/dbraw/zinc/39/89/23/570398923.db2.gz DYRCEPPROKFMSC-UHFFFAOYSA-N 0 0 379.445 3.487 50 0 GGAARN COc1ccc(C(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005025263 570399066 /nfs/dbraw/zinc/39/90/66/570399066.db2.gz FWACDJADLPMZHS-QGZVFWFLSA-N 0 0 393.892 3.178 50 0 GGAARN CCOc1ccc(N2C[C@H](C(=O)Nc3cccc(NC(C)=O)c3)CC2=O)cc1 ZINC000004732149 570399253 /nfs/dbraw/zinc/39/92/53/570399253.db2.gz ZYKLKJICKDMFIA-OAHLLOKOSA-N 0 0 381.432 3.035 50 0 GGAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1c2c(nn1-c1ccccc1)CCC2 ZINC000035596692 570399283 /nfs/dbraw/zinc/39/92/83/570399283.db2.gz GEFHHJWIMHCJAV-UHFFFAOYSA-N 0 0 395.484 3.164 50 0 GGAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccco1 ZINC000005024656 570399311 /nfs/dbraw/zinc/39/93/11/570399311.db2.gz BFMDPOKKTBBFDM-UHFFFAOYSA-N 0 0 399.394 3.262 50 0 GGAARN CCCS(=O)(=O)N1CCC(c2nnc(Cc3ccc(OC)cc3)s2)CC1 ZINC000035597020 570399504 /nfs/dbraw/zinc/39/95/04/570399504.db2.gz 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0 GGAARN COC(=O)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C)cc1 ZINC000004840284 570410292 /nfs/dbraw/zinc/41/02/92/570410292.db2.gz UXGHXHMWIKQLSG-INIZCTEOSA-N 0 0 383.787 3.408 50 0 GGAARN CSc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000004839487 570410338 /nfs/dbraw/zinc/41/03/38/570410338.db2.gz SLUZCRJQKGXWFP-HNNXBMFYSA-N 0 0 390.530 3.448 50 0 GGAARN CCc1ccc(N2CN=c3s/c(=C\C=C\c4ccccc4)c(=O)n3C2)cc1 ZINC000005067795 570410559 /nfs/dbraw/zinc/41/05/59/570410559.db2.gz QIHAONGWTMXFCX-CRVGVPJFSA-N 0 0 375.497 3.021 50 0 GGAARN Cc1ccc(N2CN=c3s/c(=C\C=C\c4ccccc4)c(=O)n3C2)cc1C ZINC000005068899 570410931 /nfs/dbraw/zinc/41/09/31/570410931.db2.gz JAEUXHSVWAYZFJ-CRVGVPJFSA-N 0 0 375.497 3.075 50 0 GGAARN COc1cccc(C(=O)N(Cc2ccc(Cl)cc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000005070235 570411239 /nfs/dbraw/zinc/41/12/39/570411239.db2.gz OLCJLVIHNZIRFB-QGZVFWFLSA-N 0 0 393.892 3.178 50 0 GGAARN COCc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1 ZINC000004843131 570411325 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O=C(Nc1ccccn1)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000006829799 570496236 /nfs/dbraw/zinc/49/62/36/570496236.db2.gz MHTRKGOKOSKVBB-GOSISDBHSA-N 0 0 375.384 3.112 50 0 GGAARN COCc1cc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C(C)C)ccc1OC ZINC000004196049 570496398 /nfs/dbraw/zinc/49/63/98/570496398.db2.gz IGCVWDRDILSLHR-MRXNPFEDSA-N 0 0 377.466 3.099 50 0 GGAARN COc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(C(C)=O)cc3)oc21 ZINC000005184944 570497488 /nfs/dbraw/zinc/49/74/88/570497488.db2.gz YPHWXURAXKSPRC-LNVKXUELSA-N 0 0 378.384 3.153 50 0 GGAARN CC(C)Oc1ccc(-c2nc3s/c(=C/c4ccccc4F)c(=O)n3n2)cc1 ZINC000004567681 570497779 /nfs/dbraw/zinc/49/77/79/570497779.db2.gz JKRQJLGXQHIRNR-GZTJUZNOSA-N 0 0 381.432 3.292 50 0 GGAARN O=C(COCc1cc(-c2cccs2)on1)N1CCN(c2ccccc2)CC1 ZINC000006876533 570497854 /nfs/dbraw/zinc/49/78/54/570497854.db2.gz KUUMZROIQNRFEL-UHFFFAOYSA-N 0 0 383.473 3.269 50 0 GGAARN COc1cccc(N2C[C@@H](NC(=O)Nc3ccc(OC(F)F)cc3)CC2=O)c1 ZINC000005190129 570498964 /nfs/dbraw/zinc/49/89/64/570498964.db2.gz GCWPKIKGMLZMMP-ZDUSSCGKSA-N 0 0 391.374 3.224 50 0 GGAARN COc1ccc(-c2noc(CN(C)C(=O)Cc3ccc(C)cc3)n2)cc1OC ZINC000004943755 570498976 /nfs/dbraw/zinc/49/89/76/570498976.db2.gz YYQDWAITFKAHTG-UHFFFAOYSA-N 0 0 381.432 3.263 50 0 GGAARN CCOc1ccc(N2C[C@@H](NC(=O)Nc3ccc(F)cc3F)CC2=O)cc1 ZINC000005192780 570499427 /nfs/dbraw/zinc/49/94/27/570499427.db2.gz CZAAOEWJBKAKAT-ZDUSSCGKSA-N 0 0 375.375 3.291 50 0 GGAARN COc1ccc(N2C[C@@H](NC(=O)c3ccccc3C(F)(F)F)CC2=O)cc1 ZINC000005195387 570499738 /nfs/dbraw/zinc/49/97/38/570499738.db2.gz KPFGATRJKCQGIP-LBPRGKRZSA-N 0 0 378.350 3.249 50 0 GGAARN COc1ccc(N2C[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)CC2=O)cc1 ZINC000005195400 570500037 /nfs/dbraw/zinc/50/00/37/570500037.db2.gz BFUNXXMGXRADSU-CQSZACIVSA-N 0 0 378.350 3.249 50 0 GGAARN Cc1c(NS(=O)(=O)c2ccc(C(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000005516110 570500297 /nfs/dbraw/zinc/50/02/97/570500297.db2.gz OAYICLBATJSCCW-UHFFFAOYSA-N 0 0 385.489 3.409 50 0 GGAARN O=C(Nc1nnc(C2CCC2)s1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000061717445 570500847 /nfs/dbraw/zinc/50/08/47/570500847.db2.gz GWPJZFONYXQNBW-ZDUSSCGKSA-N 0 0 390.896 3.446 50 0 GGAARN COc1cccc([C@H]2[C@@H](C(=O)Nc3ccc4[nH]ccc4c3)CC(=O)N2C)c1OC ZINC000061718045 570501160 /nfs/dbraw/zinc/50/11/60/570501160.db2.gz VRWLEBBRCHEFGW-JXFKEZNVSA-N 0 0 393.443 3.343 50 0 GGAARN COc1ccc(NC(=O)[C@H](C)Sc2nnnn2-c2ccc(C)cc2C)cc1 ZINC000007172738 570501219 /nfs/dbraw/zinc/50/12/19/570501219.db2.gz IMNBHUJJXBILRM-AWEZNQCLSA-N 0 0 383.477 3.407 50 0 GGAARN COc1ccccc1CC(=O)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000061718462 570501568 /nfs/dbraw/zinc/50/15/68/570501568.db2.gz BQVAOBTUHKNITI-UHFFFAOYSA-N 0 0 391.471 3.140 50 0 GGAARN COc1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000003081983 570502336 /nfs/dbraw/zinc/50/23/36/570502336.db2.gz IMDHUUWTPMQFTG-UHFFFAOYSA-N 0 0 375.446 3.089 50 0 GGAARN CC(C)(C)C(=O)N1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000007282974 570502568 /nfs/dbraw/zinc/50/25/68/570502568.db2.gz BNPKPOFFNRLBST-UHFFFAOYSA-N 0 0 391.943 3.273 50 0 GGAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(=O)Nc2nccs2)cc1 ZINC000061719929 570502525 /nfs/dbraw/zinc/50/25/25/570502525.db2.gz WGRHWCDHJKTKQM-GOSISDBHSA-N 0 0 394.456 3.357 50 0 GGAARN Cc1cc(CNC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)on1 ZINC000426628250 570502871 /nfs/dbraw/zinc/50/28/71/570502871.db2.gz MJCUTQINLIUOPI-UHFFFAOYSA-N 0 0 386.477 3.138 50 0 GGAARN Cc1cccc(C[C@H](C)NC(=O)c2cccc(-c3cc(N(C)C)ncn3)c2)n1 ZINC000426633683 570503283 /nfs/dbraw/zinc/50/32/83/570503283.db2.gz AAGRFWFVPZFUEF-INIZCTEOSA-N 0 0 375.476 3.274 50 0 GGAARN O=C(Nc1cccnc1-n1cnc(Cl)c1Cl)[C@@H]1COc2ccccc2O1 ZINC000061721097 570503259 /nfs/dbraw/zinc/50/32/59/570503259.db2.gz KFQWLTPYAXUDEB-ZDUSSCGKSA-N 0 0 391.214 3.353 50 0 GGAARN COc1ccc(N2C[C@H](NC(=O)Nc3cccc(Cl)c3)CC2=O)cc1OC ZINC000005202139 570504428 /nfs/dbraw/zinc/50/44/28/570504428.db2.gz RTTICOMRNAZMKI-CQSZACIVSA-N 0 0 389.839 3.284 50 0 GGAARN O=C(Nc1nnc([C@@H]2CCCO2)s1)c1cc(=O)c(OCc2ccccc2)c[nH]1 ZINC000061721458 570504564 /nfs/dbraw/zinc/50/45/64/570504564.db2.gz UDZKUSXJPPLLOI-HNNXBMFYSA-N 0 0 398.444 3.322 50 0 GGAARN COc1ccc(CCNC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)cc1OC ZINC000061721947 570505305 /nfs/dbraw/zinc/50/53/05/570505305.db2.gz IDKHGKSVNQMPOU-UHFFFAOYSA-N 0 0 396.491 3.390 50 0 GGAARN COc1ccccc1-c1nc2s/c(=C\c3ccc(SC)cc3)c(=O)n2n1 ZINC000002702694 570505694 /nfs/dbraw/zinc/50/56/94/570505694.db2.gz IZQKFMGYUVLYMA-WJDWOHSUSA-N 0 0 381.482 3.096 50 0 GGAARN COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc3cccc(OC)c3oc2=O)cc1 ZINC000002707927 570506697 /nfs/dbraw/zinc/50/66/97/570506697.db2.gz JXFSSYNMPXVUOT-GFCCVEGCSA-N 0 0 382.368 3.238 50 0 biogenic GGAARN COc1cc([C@@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)ccc1O ZINC000005205170 570507310 /nfs/dbraw/zinc/50/73/10/570507310.db2.gz BUTIHQBFIQDEOL-AWEZNQCLSA-N 0 0 385.803 3.386 50 0 GGAARN Cc1c(O[C@@H](C)C(=O)NCc2ccncc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000005204602 570507317 /nfs/dbraw/zinc/50/73/17/570507317.db2.gz DPUFBWLTASBOLH-AWEZNQCLSA-N 0 0 378.428 3.069 50 0 GGAARN Cc1c(OCC(=O)NCc2ccncc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000005205044 570507326 /nfs/dbraw/zinc/50/73/26/570507326.db2.gz SZKSXYMELCMJJK-UHFFFAOYSA-N 0 0 378.428 3.070 50 0 GGAARN C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NCc1ccccn1 ZINC000005205270 570507348 /nfs/dbraw/zinc/50/73/48/570507348.db2.gz NDNSADFOLAAPBH-GFCCVEGCSA-N 0 0 398.846 3.414 50 0 GGAARN Cc1coc2cc3oc(=O)c(CC(=O)NCCCn4ccnc4)c(C)c3cc12 ZINC000006623694 570507671 /nfs/dbraw/zinc/50/76/71/570507671.db2.gz YSELGTGEHXAFFG-UHFFFAOYSA-N 0 0 379.416 3.102 50 0 biogenic GGAARN COCCNC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4 ZINC000006623846 570508066 /nfs/dbraw/zinc/50/80/66/570508066.db2.gz UEBJBKCPCNDQJG-UHFFFAOYSA-N 0 0 383.444 3.340 50 0 biogenic GGAARN CC(=O)c1ccc(NC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1 ZINC000006624050 570508381 /nfs/dbraw/zinc/50/83/81/570508381.db2.gz JWMOXJJCWPRKIS-UHFFFAOYSA-N 0 0 383.400 3.356 50 0 biogenic GGAARN NC(=O)CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc(Cl)cc1 ZINC000002720929 570508737 /nfs/dbraw/zinc/50/87/37/570508737.db2.gz FIJUGXJKRHSXSC-UHFFFAOYSA-N 0 0 384.848 3.098 50 0 GGAARN Cc1cccn2c(=O)c3cc(C(=O)N4CCc5ccccc5C4)sc3nc12 ZINC000002722959 570508974 /nfs/dbraw/zinc/50/89/74/570508974.db2.gz KSACVDLJKBFSQY-UHFFFAOYSA-N 0 0 375.453 3.416 50 0 GGAARN Nc1nnnn1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000007602429 570509991 /nfs/dbraw/zinc/50/99/91/570509991.db2.gz SFXGXLHHXPWMHL-UHFFFAOYSA-N 0 0 380.839 3.385 50 0 GGAARN Nc1nnnn1NCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000007602430 570510160 /nfs/dbraw/zinc/51/01/60/570510160.db2.gz OCEKBJYLALNMTP-UHFFFAOYSA-N 0 0 380.839 3.385 50 0 GGAARN COc1ccc2[nH]c(C)c(C(=O)CN3CCN(c4ccccc4OC)CC3)c2c1 ZINC000036006998 570510677 /nfs/dbraw/zinc/51/06/77/570510677.db2.gz ZUUCEFPJEWDQJA-UHFFFAOYSA-N 0 0 393.487 3.498 50 0 GGAARN CCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2 ZINC000002724875 570510786 /nfs/dbraw/zinc/51/07/86/570510786.db2.gz DOBSUSFABWMXQE-NDEPHWFRSA-N 0 0 399.447 3.425 50 0 GGAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@](=O)C3)cc1 ZINC000002725011 570511286 /nfs/dbraw/zinc/51/12/86/570511286.db2.gz RVPJOUDIVFIFBK-NDEPHWFRSA-N 0 0 399.447 3.425 50 0 GGAARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 ZINC000002763537 570512361 /nfs/dbraw/zinc/51/23/61/570512361.db2.gz JYCIUPQOWQQBLL-NSHDSACASA-N 0 0 391.807 3.319 50 0 GGAARN CCOc1cc(C)c(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)cc1C(C)C ZINC000032673079 570513026 /nfs/dbraw/zinc/51/30/26/570513026.db2.gz PAAHMNQUMXVURV-YBEGLDIGSA-N 0 0 390.505 3.090 50 0 GGAARN CC[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000002751088 570513402 /nfs/dbraw/zinc/51/34/02/570513402.db2.gz POOGIYCXNQTFOD-QGZVFWFLSA-N 0 0 396.476 3.130 50 0 GGAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(CN3CCOCC3)cc2)c1 ZINC000032744791 570513665 /nfs/dbraw/zinc/51/36/65/570513665.db2.gz PAAWZFUGLLBPSI-MRXNPFEDSA-N 0 0 384.476 3.027 50 0 GGAARN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)O2 ZINC000038849703 570514143 /nfs/dbraw/zinc/51/41/43/570514143.db2.gz XWFRPOAPBKKWJJ-KRWDZBQOSA-N 0 0 394.880 3.123 50 0 GGAARN COc1cc2c(cc1OC)-c1cc(NCc3ccccc3F)nc(=O)n1CC2 ZINC000005219795 570514293 /nfs/dbraw/zinc/51/42/93/570514293.db2.gz ZWOVRYLYKDMVFP-UHFFFAOYSA-N 0 0 381.407 3.235 50 0 GGAARN Cc1cccc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 ZINC000038833270 570516047 /nfs/dbraw/zinc/51/60/47/570516047.db2.gz YMDSSNGYQFCZOQ-QGZVFWFLSA-N 0 0 394.880 3.204 50 0 GGAARN C[C@@H](NC(=O)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F)[C@@H]1CCCO1 ZINC000002780898 570516170 /nfs/dbraw/zinc/51/61/70/570516170.db2.gz NRZWLMQRLQBICF-MFKMUULPSA-N 0 0 394.353 3.305 50 0 GGAARN COc1cccc(C(=O)Nc2c(C)nn(Cn3cc(Cl)cn3)c2C)c1OC ZINC000002799659 570516409 /nfs/dbraw/zinc/51/64/09/570516409.db2.gz AFVQAIOLPNNPON-UHFFFAOYSA-N 0 0 389.843 3.125 50 0 GGAARN COc1cc(OC)cc(C(=O)Nc2ncn(Cc3ccc(F)cc3Cl)n2)c1 ZINC000002799228 570516446 /nfs/dbraw/zinc/51/64/46/570516446.db2.gz QVSGSXBKGDMQRM-UHFFFAOYSA-N 0 0 390.802 3.388 50 0 GGAARN Cc1cc(C)n(C(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)n1 ZINC000032951390 570516659 /nfs/dbraw/zinc/51/66/59/570516659.db2.gz BTXWKFQKIPCFGK-UHFFFAOYSA-N 0 0 389.502 3.383 50 0 GGAARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1S(C)(=O)=O ZINC000005222971 570516920 /nfs/dbraw/zinc/51/69/20/570516920.db2.gz OQTRQIRZZDYVBQ-UHFFFAOYSA-N 0 0 387.413 3.265 50 0 GGAARN COc1ccc(-c2csc(NC(=O)c3cccc(S(C)(=O)=O)c3)n2)cc1 ZINC000005223069 570516977 /nfs/dbraw/zinc/51/69/77/570516977.db2.gz RGYKDRXMWZMANI-UHFFFAOYSA-N 0 0 388.470 3.475 50 0 GGAARN CCc1nnc(SCC(=O)Nc2ccc(OC)c(Cl)c2)n1-n1cccc1 ZINC000005223958 570517059 /nfs/dbraw/zinc/51/70/59/570517059.db2.gz BBZJTKLPVMHIIF-UHFFFAOYSA-N 0 0 391.884 3.346 50 0 GGAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc(Cc3cc(C)n[nH]c3=O)cc2)c1 ZINC000033026735 570518513 /nfs/dbraw/zinc/51/85/13/570518513.db2.gz JPJLACHSLRTKCJ-UHFFFAOYSA-N 0 0 383.473 3.087 50 0 GGAARN CCc1onc(C)c1[C@H]1CCCN1S(=O)(=O)c1cc(OC)ccc1OC ZINC000033087015 570519222 /nfs/dbraw/zinc/51/92/22/570519222.db2.gz 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570670138 /nfs/dbraw/zinc/67/01/38/570670138.db2.gz QLAMFLGWYXSYHF-UHFFFAOYSA-N 0 0 399.472 3.408 50 0 GGAARN COc1ccc(CNC(=O)CCc2nnc([C@H](OC)c3ccccc3)o2)cc1 ZINC000012458959 570670177 /nfs/dbraw/zinc/67/01/77/570670177.db2.gz LCPNSJVKRAUZIN-HXUWFJFHSA-N 0 0 381.432 3.063 50 0 GGAARN COc1ccc(CNC(=O)CCc2nnc([C@@H](OC)c3ccccc3)o2)cc1 ZINC000012458957 570670277 /nfs/dbraw/zinc/67/02/77/570670277.db2.gz LCPNSJVKRAUZIN-FQEVSTJZSA-N 0 0 381.432 3.063 50 0 GGAARN CC(C)C(=O)Nc1ccc(SCC(=O)Nc2nc3ccccc3s2)nn1 ZINC000013702123 570670443 /nfs/dbraw/zinc/67/04/43/570670443.db2.gz BEODIDXTXYZJFC-UHFFFAOYSA-N 0 0 387.490 3.412 50 0 GGAARN O=C(CC1=CCCCC1)N1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000012459703 570670626 /nfs/dbraw/zinc/67/06/26/570670626.db2.gz NCWIQSYPRUFMSE-HXUWFJFHSA-N 0 0 390.549 3.235 50 0 GGAARN O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)NC1Cc2ccccc2C1 ZINC000012465111 570671112 /nfs/dbraw/zinc/67/11/12/570671112.db2.gz ZEOHGJPIASTNRH-UHFFFAOYSA-N 0 0 386.455 3.358 50 0 GGAARN O=C(c1ccc(F)cc1)N1CCC2(CC1)NC(=O)N(c1ccccc1Cl)N2 ZINC000169764102 570671492 /nfs/dbraw/zinc/67/14/92/570671492.db2.gz UCVGLLVYNSITPL-UHFFFAOYSA-N 0 0 388.830 3.146 50 0 GGAARN C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)C(c2ccccc2)=NC1(C)C ZINC000169765538 570671966 /nfs/dbraw/zinc/67/19/66/570671966.db2.gz MRBYNRVUKQITJL-KRWDZBQOSA-N 0 0 377.488 3.192 50 0 GGAARN CN1c2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2C(=O)N2CCCC[C@H]12 ZINC000169766546 570673021 /nfs/dbraw/zinc/67/30/21/570673021.db2.gz XGUVKWJHEOIZNQ-HXUWFJFHSA-N 0 0 393.443 3.112 50 0 GGAARN CCOC(=O)C[C@@H](c1ccc(-c2ccccc2)o1)c1oc(CO)cc(=O)c1O ZINC000072324414 570673099 /nfs/dbraw/zinc/67/30/99/570673099.db2.gz CYRLJZBJIPTIQH-HNNXBMFYSA-N 0 0 384.384 3.183 50 0 biogenic GGAARN O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000052716421 570673186 /nfs/dbraw/zinc/67/31/86/570673186.db2.gz PPRRDFIXUUSXRA-UHFFFAOYSA-N 0 0 390.409 3.171 50 0 fda GGAARN CC(C)n1nc(CC(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O ZINC000072324887 570673601 /nfs/dbraw/zinc/67/36/01/570673601.db2.gz KAHVDRGEZAAZAZ-UHFFFAOYSA-N 0 0 388.471 3.360 50 0 biogenic GGAARN CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cn(C)nc1OC ZINC000012422656 570673673 /nfs/dbraw/zinc/67/36/73/570673673.db2.gz ULMVMRIXMNXHHN-UHFFFAOYSA-N 0 0 391.884 3.336 50 0 GGAARN CCN1c2cc(C(=O)NCc3ccncc3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169766400 570673819 /nfs/dbraw/zinc/67/38/19/570673819.db2.gz BQHOCYXRRYLBTK-HXUWFJFHSA-N 0 0 378.476 3.194 50 0 GGAARN O=C(c1cn(Cc2c(F)cccc2F)nn1)N1CCC[C@@H]1c1nccs1 ZINC000012477200 570674245 /nfs/dbraw/zinc/67/42/45/570674245.db2.gz LBWXKRJTQVKVPM-OAHLLOKOSA-N 0 0 375.404 3.038 50 0 GGAARN Cc1nc(-c2ncccn2)sc1C(=O)NCc1ccc(-c2ccnn2C)cc1 ZINC000685939830 570674426 /nfs/dbraw/zinc/67/44/26/570674426.db2.gz YHWYDJJZTQDRDN-UHFFFAOYSA-N 0 0 390.472 3.239 50 0 GGAARN Cn1cccc1-c1nc(-c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)no1 ZINC000169769255 570674908 /nfs/dbraw/zinc/67/49/08/570674908.db2.gz APAWCPWVNGWNKI-OAHLLOKOSA-N 0 0 382.811 3.259 50 0 GGAARN COc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1OC ZINC000053771360 570675415 /nfs/dbraw/zinc/67/54/15/570675415.db2.gz ZGZWSHRRFJWWDN-UHFFFAOYSA-N 0 0 380.448 3.076 50 0 GGAARN CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(F)cc2F)cc1OCC ZINC000072330916 570675645 /nfs/dbraw/zinc/67/56/45/570675645.db2.gz FAJZXQKEKSQAKW-UHFFFAOYSA-N 0 0 393.386 3.487 50 0 GGAARN Cc1c(-c2ccnc(N3CCC(C)CC3)n2)cnc2nc(-c3cccnc3)nn21 ZINC000054201987 570676771 /nfs/dbraw/zinc/67/67/71/570676771.db2.gz XJUXJRUYHQGWAC-UHFFFAOYSA-N 0 0 386.463 3.188 50 0 GGAARN COc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)cn2n1 ZINC000012441304 570676976 /nfs/dbraw/zinc/67/69/76/570676976.db2.gz AEBYFEHANYVDIC-UHFFFAOYSA-N 0 0 398.419 3.345 50 0 GGAARN COc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3cccs3)n2)cc1 ZINC000012441007 570677113 /nfs/dbraw/zinc/67/71/13/570677113.db2.gz KLZBGBSIVNDALL-UHFFFAOYSA-N 0 0 383.473 3.077 50 0 GGAARN Fc1ccc(CN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000054290488 570677215 /nfs/dbraw/zinc/67/72/15/570677215.db2.gz MKYOJWJRRIRMDM-UHFFFAOYSA-N 0 0 388.450 3.277 50 0 GGAARN CCC(CC)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc2c(c1)OCO2 ZINC000005642627 570678498 /nfs/dbraw/zinc/67/84/98/570678498.db2.gz WNLBIQFQNYSNFT-INIZCTEOSA-N 0 0 375.450 3.453 50 0 GGAARN Cc1ccc(-n2ccnc2N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000012444677 570678726 /nfs/dbraw/zinc/67/87/26/570678726.db2.gz QWTIURJLKSUJEQ-UHFFFAOYSA-N 0 0 382.414 3.421 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCN([C@@H](C)CCc3ccccc3)CC2)cc1 ZINC000054992142 570679073 /nfs/dbraw/zinc/67/90/73/570679073.db2.gz DCLQUQIHHRFRJL-SFHVURJKSA-N 0 0 388.533 3.023 50 0 GGAARN COc1ccc(C(=O)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1OC ZINC000054992124 570679260 /nfs/dbraw/zinc/67/92/60/570679260.db2.gz REIGZQIBTAERSH-UHFFFAOYSA-N 0 0 379.460 3.143 50 0 GGAARN CCCCC(=O)Nc1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1C ZINC000055042482 570680078 /nfs/dbraw/zinc/68/00/78/570680078.db2.gz COECNBCAHUXXDX-UHFFFAOYSA-N 0 0 380.452 3.431 50 0 GGAARN CCOc1ccc(CN(C(=O)c2ccc(CN3CCN(C)CC3)o2)C2CC2)cc1 ZINC000055053234 570680511 /nfs/dbraw/zinc/68/05/11/570680511.db2.gz VSNVLCXYZHFKDP-UHFFFAOYSA-N 0 0 397.519 3.231 50 0 GGAARN CCCCn1c(CN(C)Cc2cccc(OC)c2)cnc1S(=O)(=O)CC ZINC000055060668 570681173 /nfs/dbraw/zinc/68/11/73/570681173.db2.gz XNVONERYLDOCSX-UHFFFAOYSA-N 0 0 379.526 3.117 50 0 GGAARN COc1cccc(C(=O)N2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c1 ZINC000055071573 570681375 /nfs/dbraw/zinc/68/13/75/570681375.db2.gz WDKABGLBZIEYFU-LJQANCHMSA-N 0 0 397.494 3.261 50 0 GGAARN CN(Cc1noc(-c2ccccc2)n1)C(=O)c1ccc(CSc2nc[nH]n2)o1 ZINC000055071517 570681405 /nfs/dbraw/zinc/68/14/05/570681405.db2.gz RVOUUZOYYRMTRR-UHFFFAOYSA-N 0 0 396.432 3.012 50 0 GGAARN CCCCCCNC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000008765079 570681848 /nfs/dbraw/zinc/68/18/48/570681848.db2.gz NCFDSTCIQOYOTG-IBGZPJMESA-N 0 0 398.507 3.312 50 0 biogenic GGAARN Cc1cccc(NC(=O)CCC2CCN(C(=O)CCN3CCCCO3)CC2)c1 ZINC000012574692 570681850 /nfs/dbraw/zinc/68/18/50/570681850.db2.gz ZBKVMNXZMTVZOP-UHFFFAOYSA-N 0 0 387.524 3.370 50 0 GGAARN CC(=O)c1ccccc1C(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000055074159 570682074 /nfs/dbraw/zinc/68/20/74/570682074.db2.gz MQXMQMBEZJPHOT-NRFANRHFSA-N 0 0 391.515 3.316 50 0 GGAARN COc1cccc(CN2CCC[C@]3(CCN(C(=O)C(C)(C)C)C3)C2=O)c1OC ZINC000012575742 570682358 /nfs/dbraw/zinc/68/23/58/570682358.db2.gz IYCNDTGXNAKGFE-JOCHJYFZSA-N 0 0 388.508 3.091 50 0 GGAARN CC[C@H](CO)N(Cc1cccnc1)C(=O)c1ncccc1C(=O)c1ccccc1 ZINC000055090473 570682390 /nfs/dbraw/zinc/68/23/90/570682390.db2.gz DLNCYKNLSTTZES-LJQANCHMSA-N 0 0 389.455 3.121 50 0 GGAARN Cc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)c3csc(C)n3)C2)o1 ZINC000012577159 570682910 /nfs/dbraw/zinc/68/29/10/570682910.db2.gz SHUFUFYLCCUGQE-HNNXBMFYSA-N 0 0 375.494 3.302 50 0 GGAARN Cc1ccc2c(c1)c(CNC(=O)CCC(=O)Nc1cc(C)ccc1F)nn2C ZINC000055100364 570683114 /nfs/dbraw/zinc/68/31/14/570683114.db2.gz ACNMCEXRRODAFR-UHFFFAOYSA-N 0 0 382.439 3.364 50 0 GGAARN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1OC ZINC000008843632 570683205 /nfs/dbraw/zinc/68/32/05/570683205.db2.gz HACPLNZQFJPSMN-IBGZPJMESA-N 0 0 399.422 3.500 50 0 GGAARN Cc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c(C)o1 ZINC000055118825 570683587 /nfs/dbraw/zinc/68/35/87/570683587.db2.gz XSUWGCBMEZEBBT-HXUWFJFHSA-N 0 0 385.483 3.462 50 0 GGAARN O=C(c1cc(Cl)ccc1F)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000169772253 570683715 /nfs/dbraw/zinc/68/37/15/570683715.db2.gz VOYPSYZPQZYAIN-UHFFFAOYSA-N 0 0 388.752 3.250 50 0 GGAARN CC[C@H](C)[C@@H](NC(=O)CCCn1c(C)cc(O)cc1=O)c1nc2ccccc2[nH]1 ZINC000526052574 570683727 /nfs/dbraw/zinc/68/37/27/570683727.db2.gz NZRLEJHGBGXQMA-LHSJRXKWSA-N 0 0 396.491 3.422 50 0 GGAARN CC(=O)NCCC1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000012580637 570683963 /nfs/dbraw/zinc/68/39/63/570683963.db2.gz MRJYBLIREATLFZ-UHFFFAOYSA-N 0 0 396.413 3.494 50 0 GGAARN CCn1cc(C(=O)N(CCOC)Cc2cccs2)c(=O)c2ccc(C)nc21 ZINC000055132184 570683994 /nfs/dbraw/zinc/68/39/94/570683994.db2.gz INFVYGUTQWRGLE-UHFFFAOYSA-N 0 0 385.489 3.075 50 0 GGAARN Cc1ncsc1C(=O)N1CCC[C@H](N2CCN(c3ccccc3C)CC2)C1 ZINC000055120378 570684099 /nfs/dbraw/zinc/68/40/99/570684099.db2.gz DBUHIIBNHBJYHR-SFHVURJKSA-N 0 0 384.549 3.187 50 0 GGAARN O=C(Nc1nc2ccccc2s1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000169772882 570684287 /nfs/dbraw/zinc/68/42/87/570684287.db2.gz JNJCNAVGQKVFDN-SNVBAGLBSA-N 0 0 395.419 3.303 50 0 GGAARN CCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)c2cnsn2)CC1 ZINC000012583699 570684444 /nfs/dbraw/zinc/68/44/44/570684444.db2.gz NRXBIFHAQXBXOD-UHFFFAOYSA-N 0 0 393.896 3.220 50 0 GGAARN COc1ccccc1CC(=O)N[C@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1 ZINC000169775358 570684727 /nfs/dbraw/zinc/68/47/27/570684727.db2.gz IJPFTRSXDVDWGN-IBGZPJMESA-N 0 0 390.487 3.413 50 0 GGAARN O=C(NCc1nnc2c(-c3nc(C4CC4)no3)cccn12)c1ccccc1Cl ZINC000169776091 570685108 /nfs/dbraw/zinc/68/51/08/570685108.db2.gz IMLUWDNOSLXSSD-UHFFFAOYSA-N 0 0 394.822 3.240 50 0 GGAARN CNS(=O)(=O)c1ccc(CN(Cc2ccncc2)Cc2ccc(F)cc2)cc1 ZINC000055153869 570685093 /nfs/dbraw/zinc/68/50/93/570685093.db2.gz GLXBMDNAOCCMJF-UHFFFAOYSA-N 0 0 399.491 3.331 50 0 GGAARN CC(C)CCn1c(CN(C)C[C@@H]2CCCCO2)cnc1S(=O)(=O)C(C)C ZINC000055154239 570685171 /nfs/dbraw/zinc/68/51/71/570685171.db2.gz MCIMTZDDMVXQST-SFHVURJKSA-N 0 0 385.574 3.112 50 0 GGAARN CCOC(=O)c1cn(Cc2[nH]nc3c2CCC3)cc(Oc2ccccc2)c1=O ZINC000055154217 570685298 /nfs/dbraw/zinc/68/52/98/570685298.db2.gz JIWVWOFVYXPWGR-UHFFFAOYSA-N 0 0 379.416 3.077 50 0 GGAARN CO[C@H](c1nnc(CCC(=O)NCCCc2ccccc2)o1)c1ccccc1 ZINC000012586236 570685387 /nfs/dbraw/zinc/68/53/87/570685387.db2.gz ZUVPRKBAIKCJGC-NRFANRHFSA-N 0 0 379.460 3.487 50 0 GGAARN CCc1noc(-c2cccn3c(CNC(=O)[C@@H](CC)c4ccccc4)nnc23)n1 ZINC000169776222 570685470 /nfs/dbraw/zinc/68/54/70/570685470.db2.gz OTJJGEDLENGJGS-HNNXBMFYSA-N 0 0 390.447 3.152 50 0 GGAARN COCCN(Cc1ccc(C)cc1)C(=O)[C@H](C)c1n[nH]c(=O)c2ccccc21 ZINC000055182474 570685490 /nfs/dbraw/zinc/68/54/90/570685490.db2.gz KMXNDJODKJQXFX-MRXNPFEDSA-N 0 0 379.460 3.010 50 0 GGAARN O=C(Cn1cnc2sccc2c1=O)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000169774035 570685554 /nfs/dbraw/zinc/68/55/54/570685554.db2.gz XKEORLFAHDLNNK-INIZCTEOSA-N 0 0 378.457 3.133 50 0 GGAARN CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000012587626 570685672 /nfs/dbraw/zinc/68/56/72/570685672.db2.gz AUIIMCRGEYINSP-IBGZPJMESA-N 0 0 396.491 3.035 50 0 GGAARN O=C(NCc1nnc2c(-c3nc(C4CC4)no3)cccn12)c1c[nH]c2ccccc12 ZINC000169776236 570685661 /nfs/dbraw/zinc/68/56/61/570685661.db2.gz DGNXHAWMEBYUIY-UHFFFAOYSA-N 0 0 399.414 3.068 50 0 GGAARN CCCc1noc(-c2ccn3c(c2)nnc3CNC(=O)c2ccc(C)cc2C)n1 ZINC000169776197 570685679 /nfs/dbraw/zinc/68/56/79/570685679.db2.gz NOGMNSVQHPZNTE-UHFFFAOYSA-N 0 0 390.447 3.279 50 0 GGAARN CCC[C@@H](NC(=O)CCCn1nnnc1CN1CCC(C)CC1)c1ccccc1 ZINC000012588441 570685868 /nfs/dbraw/zinc/68/58/68/570685868.db2.gz SELGFHTWIPPWQC-HXUWFJFHSA-N 0 0 398.555 3.343 50 0 GGAARN O=C(NCc1nnc2cc(-c3nc(C4CC4)no3)ccn21)c1ccc(Cl)cc1 ZINC000169776301 570685958 /nfs/dbraw/zinc/68/59/58/570685958.db2.gz ROQNHAVBHVKAQE-UHFFFAOYSA-N 0 0 394.822 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/nfs/dbraw/zinc/76/11/34/570761134.db2.gz GQZIQMNCCPRDSF-UHFFFAOYSA-N 0 0 384.871 3.083 50 0 GGAARN Cc1nn(-c2ccc(N3CCCC3)nn2)c2c1[C@H](c1ccsc1)CC(=O)N2 ZINC000065364830 570761144 /nfs/dbraw/zinc/76/11/44/570761144.db2.gz CYTRPNONTOONHF-AWEZNQCLSA-N 0 0 380.477 3.107 50 0 GGAARN Cc1nccn1-c1cc(NCCNC(=O)Nc2ccc(C)c(Cl)c2)nc(C)n1 ZINC000065365149 570761191 /nfs/dbraw/zinc/76/11/91/570761191.db2.gz JJFQYHLVZRHPDB-UHFFFAOYSA-N 0 0 399.886 3.475 50 0 GGAARN Cc1nccn1-c1cc(NCCNC(=O)Nc2cccc(Cl)c2)nc(C)n1 ZINC000065364938 570761211 /nfs/dbraw/zinc/76/12/11/570761211.db2.gz ZWYOEXAUNPXMLP-UHFFFAOYSA-N 0 0 385.859 3.166 50 0 GGAARN CCn1cc(CNC(=O)c2cc(C)nc3onc(-c4cccc(OC)c4)c32)cn1 ZINC000036619139 570761309 /nfs/dbraw/zinc/76/13/09/570761309.db2.gz NDZQAIUNSRVZQK-UHFFFAOYSA-N 0 0 391.431 3.353 50 0 GGAARN Cc1cc(C(=O)Nc2ccn(Cc3cccc4ccccc43)n2)n2ncnc2n1 ZINC000036619380 570761487 /nfs/dbraw/zinc/76/14/87/570761487.db2.gz GXBJPRGWRUCEFC-UHFFFAOYSA-N 0 0 383.415 3.083 50 0 GGAARN Cc1nnc(CC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(C)n2)[nH]1 ZINC000013595286 570761498 /nfs/dbraw/zinc/76/14/98/570761498.db2.gz WKMPFQXELIKDJV-JOCHJYFZSA-N 0 0 386.459 3.015 50 0 GGAARN O[C@@H]1CN(Cc2c(Cl)nc3sccn23)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000065371246 570761620 /nfs/dbraw/zinc/76/16/20/570761620.db2.gz JBYAEIDSQWMEPV-GXTWGEPZSA-N 0 0 391.880 3.128 50 0 GGAARN COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)c4ccnn4C)C3)ccc2c1 ZINC000013594694 570761628 /nfs/dbraw/zinc/76/16/28/570761628.db2.gz QQKWVDYCCSFQNW-SFHVURJKSA-N 0 0 377.444 3.317 50 0 GGAARN CCCCn1nc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ncnn32)cc1C ZINC000036619520 570761774 /nfs/dbraw/zinc/76/17/74/570761774.db2.gz OPUQFHIPLMDEOH-UHFFFAOYSA-N 0 0 393.426 3.488 50 0 GGAARN Cc1ccccc1CSc1nnc(CNC(=O)c2ccc3c(c2)OCO3)n1C ZINC000007871090 570762356 /nfs/dbraw/zinc/76/23/56/570762356.db2.gz JNRUTDXYZJDUPT-UHFFFAOYSA-N 0 0 396.472 3.075 50 0 GGAARN Cc1cccc(CSc2nnc(CNC(=O)c3ccc4c(c3)OCO4)n2C)c1 ZINC000007871089 570762433 /nfs/dbraw/zinc/76/24/33/570762433.db2.gz AXPHNDRJKFZJIZ-UHFFFAOYSA-N 0 0 396.472 3.075 50 0 GGAARN Cc1ccc(CSc2nnc(CNC(=O)c3ccc4c(c3)OCO4)n2C)cc1 ZINC000007871093 570762460 /nfs/dbraw/zinc/76/24/60/570762460.db2.gz OFIZWGDCAATZQT-UHFFFAOYSA-N 0 0 396.472 3.075 50 0 GGAARN COc1ccc(Cn2ncc3c2NC(=O)C[C@@H]3c2ccoc2)c(OC)c1OC ZINC000065374146 570762494 /nfs/dbraw/zinc/76/24/94/570762494.db2.gz SGTDAHXNHUHDJB-CQSZACIVSA-N 0 0 383.404 3.024 50 0 GGAARN O=C(C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013609530 570762551 /nfs/dbraw/zinc/76/25/51/570762551.db2.gz YGGKPFOFVPQMIO-RDBSUJKOSA-N 0 0 389.805 3.087 50 0 GGAARN CCc1c(C)nn(CCNC(=O)CCc2nc(-c3ccccc3C)no2)c1C ZINC000065375667 570762725 /nfs/dbraw/zinc/76/27/25/570762725.db2.gz FHHTYIYWEQYOQQ-UHFFFAOYSA-N 0 0 381.480 3.170 50 0 GGAARN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000013615513 570762877 /nfs/dbraw/zinc/76/28/77/570762877.db2.gz IOECXZRDFJGGDE-UHFFFAOYSA-N 0 0 388.851 3.138 50 0 GGAARN FC(F)(F)c1nnc(N2CCN(Cc3ccnc4ccccc34)CC2)s1 ZINC000065376632 570762985 /nfs/dbraw/zinc/76/29/85/570762985.db2.gz HJAUJKBCORMMLB-UHFFFAOYSA-N 0 0 379.411 3.427 50 0 GGAARN CCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000013123537 570763242 /nfs/dbraw/zinc/76/32/42/570763242.db2.gz MHZDPKOQWRGYLM-GOSISDBHSA-N 0 0 386.452 3.318 50 0 GGAARN COc1ccccc1[C@@H]1C(C(N)=O)=C(C)Nc2nc(-c3ccccc3Cl)nn21 ZINC000013132322 570763275 /nfs/dbraw/zinc/76/32/75/570763275.db2.gz SSMCDPASTBVMHV-QGZVFWFLSA-N 0 0 395.850 3.381 50 0 GGAARN O=C(CCCNC(=O)N1CC(=O)Nc2ccccc21)Nc1ccc(Cl)cc1 ZINC000013624456 570763282 /nfs/dbraw/zinc/76/32/82/570763282.db2.gz VKZBYNMMVUJDEY-UHFFFAOYSA-N 0 0 386.839 3.227 50 0 GGAARN O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N[C@@H]1CCCc2ccccc21 ZINC000013624369 570763291 /nfs/dbraw/zinc/76/32/91/570763291.db2.gz XGXBAGIPGCTVQB-UXHICEINSA-N 0 0 391.471 3.081 50 0 GGAARN COc1ccccc1[C@H]1CNC(=O)c2[nH]c(CCOc3ccccc3)nc2C1 ZINC000065382762 570763424 /nfs/dbraw/zinc/76/34/24/570763424.db2.gz QXQPVZYMZMTRMS-OAHLLOKOSA-N 0 0 377.444 3.110 50 0 GGAARN CCn1cc(-c2c(-c3ccccc3)ncn2CCNC(=O)c2cccnc2)cn1 ZINC000065383510 570763547 /nfs/dbraw/zinc/76/35/47/570763547.db2.gz ANNJIFGFESRBCE-UHFFFAOYSA-N 0 0 386.459 3.259 50 0 GGAARN CCCS(=O)(=O)c1nnc(NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)s1 ZINC000013625292 570763741 /nfs/dbraw/zinc/76/37/41/570763741.db2.gz BFXDAWYYNZPDNW-LBPRGKRZSA-N 0 0 397.522 3.251 50 0 GGAARN c1cn(CCc2nc(CCc3ccccc3)nn2-c2ccc3c(c2)OCO3)cn1 ZINC000065385603 570763869 /nfs/dbraw/zinc/76/38/69/570763869.db2.gz CXEZDROFECVDLZ-UHFFFAOYSA-N 0 0 387.443 3.220 50 0 GGAARN COc1ccc2c(c1)c(C(=O)N1CCC(Nc3ncccn3)CC1)c(C)n2C ZINC000065384973 570763996 /nfs/dbraw/zinc/76/39/96/570763996.db2.gz IVWXTVZPBFJDBD-UHFFFAOYSA-N 0 0 379.464 3.002 50 0 GGAARN COc1ccc(-c2nc(CCNC(=O)c3ccc(OC)c(OC)c3)c[nH]2)cc1 ZINC000013630063 570764167 /nfs/dbraw/zinc/76/41/67/570764167.db2.gz KBGVGBBRONTLGH-UHFFFAOYSA-N 0 0 381.432 3.075 50 0 GGAARN COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)c1cc(OC)cc(OC)c1 ZINC000013628987 570764183 /nfs/dbraw/zinc/76/41/83/570764183.db2.gz FDJHMNPBIORPKY-UHFFFAOYSA-N 0 0 384.388 3.233 50 0 GGAARN CCS(=O)(=O)c1nnc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)s1 ZINC000013628818 570764293 /nfs/dbraw/zinc/76/42/93/570764293.db2.gz DRHRDURSNZGFPY-LBPRGKRZSA-N 0 0 397.522 3.170 50 0 GGAARN COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)Oc4cc(C)n(C)c(=O)c43)o2)cc1 ZINC000524729786 570764279 /nfs/dbraw/zinc/76/42/79/570764279.db2.gz JHMCALIOZLNEPZ-HNNXBMFYSA-N 0 0 393.395 3.181 50 0 biogenic GGAARN CC[C@@]1(c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)CCC(=O)NC1=O ZINC000013629128 570764337 /nfs/dbraw/zinc/76/43/37/570764337.db2.gz HZIHTPCTGSTXDB-QFIPXVFZSA-N 0 0 396.443 3.041 50 0 GGAARN Cc1cc(C)n(-c2ccc(C(=O)NCc3nc(C)c4c(n3)CCCC4)cc2)n1 ZINC000065388064 570764768 /nfs/dbraw/zinc/76/47/68/570764768.db2.gz IDSVEWJEMIITJI-UHFFFAOYSA-N 0 0 375.476 3.396 50 0 GGAARN COc1ccc(O)c([C@@H]2CC(=O)Nc3c2cnn3Cc2ccccc2OC)c1 ZINC000065393878 570764919 /nfs/dbraw/zinc/76/49/19/570764919.db2.gz REVWWJAZHYXFAB-HNNXBMFYSA-N 0 0 379.416 3.128 50 0 GGAARN Cc1ccccc1-c1noc(CCC(=O)NCc2nnc(-c3ccccc3)o2)n1 ZINC000065394337 570765062 /nfs/dbraw/zinc/76/50/62/570765062.db2.gz ABVMSRNBCDXEBJ-UHFFFAOYSA-N 0 0 389.415 3.344 50 0 GGAARN Cc1cccc(NC(=O)CCn2c3nn(C)cc3c(C(F)(F)F)cc2=O)c1C ZINC000036621347 570765151 /nfs/dbraw/zinc/76/51/51/570765151.db2.gz PCOPKBXSGUOPRJ-UHFFFAOYSA-N 0 0 392.381 3.399 50 0 GGAARN Cc1ccc(-c2nc(N[C@H]3CCCCNC3=O)ncc2-c2ccc(N)nc2)cc1 ZINC000065397305 570765398 /nfs/dbraw/zinc/76/53/98/570765398.db2.gz YZKNNDGVHXUMRG-SFHVURJKSA-N 0 0 388.475 3.177 50 0 GGAARN O=C(Nc1cccc(OC(F)(F)F)c1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524729671 570765479 /nfs/dbraw/zinc/76/54/79/570765479.db2.gz DDPZZNALZSJKKY-OLZOCXBDSA-N 0 0 393.365 3.398 50 0 biogenic GGAARN CCOc1ccc(-c2c[nH]c(-c3ccc(CN(C)S(C)(=O)=O)o3)n2)cc1 ZINC000065395774 570765679 /nfs/dbraw/zinc/76/56/79/570765679.db2.gz WMDPKSGOXRGZQB-UHFFFAOYSA-N 0 0 375.450 3.127 50 0 GGAARN O=C(C[C@@H](c1ccccc1)n1cccc1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524731281 570766082 /nfs/dbraw/zinc/76/60/82/570766082.db2.gz RHKCDBIKLIOFDD-CBQOVEMMSA-N 0 0 387.483 3.275 50 0 biogenic GGAARN O=C(c1cc2n(n1)CCCN(Cc1cnc3ccccc3c1)C2)N1CCCC1 ZINC000065404535 570766583 /nfs/dbraw/zinc/76/65/83/570766583.db2.gz FCNICXPXXJVLKO-UHFFFAOYSA-N 0 0 375.476 3.073 50 0 GGAARN O=C1C[C@H](c2cccc(OCc3ccccn3)c2)c2c(nc3ccccn32)CN1 ZINC000065404300 570766606 /nfs/dbraw/zinc/76/66/06/570766606.db2.gz RIDCOMYZXULJEL-LJQANCHMSA-N 0 0 384.439 3.460 50 0 GGAARN COc1cccc([C@H]2CC(=O)Nc3cc(O)ccc32)c1OCCn1ccnc1 ZINC000065406097 570766671 /nfs/dbraw/zinc/76/66/71/570766671.db2.gz CODKEMMUIXAVGD-KRWDZBQOSA-N 0 0 379.416 3.150 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)c(C)c1 ZINC000013648547 570766730 /nfs/dbraw/zinc/76/67/30/570766730.db2.gz LNKXIVFJUYSEGO-UHFFFAOYSA-N 0 0 390.461 3.104 50 0 GGAARN CN(Cc1ccno1)Cc1ccc(C(=O)Nc2nn(C)c3ccccc23)cc1 ZINC000065407773 570767037 /nfs/dbraw/zinc/76/70/37/570767037.db2.gz GFFHHVMTRMJIBZ-UHFFFAOYSA-N 0 0 375.432 3.446 50 0 GGAARN COc1cccc2c1ccn2CC(=O)N[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000524732402 570767279 /nfs/dbraw/zinc/76/72/79/570767279.db2.gz ZLJGFONWNAELRV-KRWDZBQOSA-N 0 0 380.444 3.471 50 0 GGAARN Cc1c([C@H]2CC(=O)Nc3c2cnn3-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000065418431 570767431 /nfs/dbraw/zinc/76/74/31/570767431.db2.gz LWVMPRDMJYMCJO-SFHVURJKSA-N 0 0 399.454 3.144 50 0 GGAARN COc1cccc2c1OCC([C@H]1CC(=O)Nc3c1cnn3Cc1cccnc1)=C2 ZINC000065425764 570768034 /nfs/dbraw/zinc/76/80/34/570768034.db2.gz UHYIBBVTTQCFDF-QGZVFWFLSA-N 0 0 388.427 3.237 50 0 GGAARN COc1cc2c(cc1OC)[C@H](NC(=O)Cn1cnc(-c3ccccc3)c1)CC2 ZINC000524733129 570768198 /nfs/dbraw/zinc/76/81/98/570768198.db2.gz XCHOUKKRBBOHKX-GOSISDBHSA-N 0 0 377.444 3.371 50 0 GGAARN OCCOCCn1cnc(-c2ccccc2)c1-c1nc(-c2ccccc2)no1 ZINC000065432136 570768347 /nfs/dbraw/zinc/76/83/47/570768347.db2.gz APHLUQOGXAUXEQ-UHFFFAOYSA-N 0 0 376.416 3.276 50 0 GGAARN Cn1nc(-c2ccccn2)c2c1NC(=O)C[C@H]2c1c(Cl)nc2sccn21 ZINC000065432716 570768379 /nfs/dbraw/zinc/76/83/79/570768379.db2.gz QUMPICRYJHUFJL-SECBINFHSA-N 0 0 384.852 3.319 50 0 GGAARN CCn1nc(C)c(NC(=O)CN2CCC(O)(c3ccc(Cl)cc3)CC2)c1C ZINC000065435262 570768381 /nfs/dbraw/zinc/76/83/81/570768381.db2.gz XOQLNBZODMXTHK-UHFFFAOYSA-N 0 0 390.915 3.095 50 0 GGAARN O=C(C[C@H](c1ccsc1)n1cccc1)NCCCc1nnc2ccccn21 ZINC000524733213 570768396 /nfs/dbraw/zinc/76/83/96/570768396.db2.gz GGHHDXLXZGVWNC-QGZVFWFLSA-N 0 0 379.489 3.321 50 0 GGAARN COc1ccc(-n2nc(CC(C)C)nc2-c2cnc3sccn3c2=O)cc1 ZINC000065435072 570768676 /nfs/dbraw/zinc/76/86/76/570768676.db2.gz MZSGDVXTSHQGPN-UHFFFAOYSA-N 0 0 381.461 3.211 50 0 GGAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCc1cccc(Cl)c1 ZINC000524733452 570768960 /nfs/dbraw/zinc/76/89/60/570768960.db2.gz KZNRTTVSFYBETN-MDKPJZGXSA-N 0 0 384.863 3.109 50 0 GGAARN CCC(=O)Nc1cc2c(cc1OC)[C@@H](c1ccc(O)c(C(=O)OC)c1)CC(=O)N2 ZINC000065470206 570770127 /nfs/dbraw/zinc/77/01/27/570770127.db2.gz HDLGAOSNYALBIP-GFCCVEGCSA-N 0 0 398.415 3.010 50 0 GGAARN O=C(Nc1ccccc1)c1cc2n(n1)CCCN(C(=O)[C@H]1C[C@@H]3C=C[C@H]1C3)C2 ZINC000065469697 570770196 /nfs/dbraw/zinc/77/01/96/570770196.db2.gz FQFIZFHVTDWUCW-GJYPPUQNSA-N 0 0 376.460 3.080 50 0 GGAARN Cc1nc(CCNC(=O)c2ccc(F)cc2)n(-c2cccc3cccnc32)n1 ZINC000065469355 570770201 /nfs/dbraw/zinc/77/02/01/570770201.db2.gz YGPCZCKKIBGPJO-UHFFFAOYSA-N 0 0 375.407 3.236 50 0 GGAARN O=C(c1cnc(-c2cccnc2)nc1)N1CCC[C@@H](Oc2ccc(F)cc2)C1 ZINC000065489625 570770547 /nfs/dbraw/zinc/77/05/47/570770547.db2.gz AEQOORRNRKZLHU-LJQANCHMSA-N 0 0 378.407 3.361 50 0 GGAARN Cc1cc(-n2cccn2)ccc1-c1c(-c2ccccc2)ncn1C(C)(CO)CO ZINC000065497781 570770703 /nfs/dbraw/zinc/77/07/03/570770703.db2.gz MZCGAIKLBRQJJB-UHFFFAOYSA-N 0 0 388.471 3.411 50 0 GGAARN CS(=O)(=O)c1ccc(-n2nc(C3CC3)nc2COCc2ccccc2)cc1 ZINC000065526687 570771754 /nfs/dbraw/zinc/77/17/54/570771754.db2.gz NRKXWNRVKZYQHO-UHFFFAOYSA-N 0 0 383.473 3.265 50 0 GGAARN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1cccnc1 ZINC000013677400 570772211 /nfs/dbraw/zinc/77/22/11/570772211.db2.gz SLGHAWVJXIXBRM-UHFFFAOYSA-N 0 0 381.457 3.121 50 0 GGAARN CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 ZINC000013677195 570772243 /nfs/dbraw/zinc/77/22/43/570772243.db2.gz GOGCLHZRCRMAFQ-UHFFFAOYSA-N 0 0 376.478 3.197 50 0 GGAARN COc1ccc(-n2ccnc2[C@@H]2CC(=O)Nc3n[nH]c(-c4ccco4)c32)cc1 ZINC000065529192 570772273 /nfs/dbraw/zinc/77/22/73/570772273.db2.gz MPKGOINDAYNYQA-CQSZACIVSA-N 0 0 375.388 3.338 50 0 GGAARN COc1ccc2[nH]c(C(=O)NCc3csc(-c4ncccn4)n3)c(C)c2c1 ZINC000065531014 570772369 /nfs/dbraw/zinc/77/23/69/570772369.db2.gz WCCKZOOVPPQPMO-UHFFFAOYSA-N 0 0 379.445 3.328 50 0 GGAARN COC(=O)c1ccc2nc(NC(=O)CC3(n4cccc4)CCOCC3)sc2c1 ZINC000524734823 570772329 /nfs/dbraw/zinc/77/23/29/570772329.db2.gz BFLKSHUYAFMMMU-UHFFFAOYSA-N 0 0 399.472 3.419 50 0 GGAARN Cc1ccc(C)c(N([C@H](C)C(=O)N2CCc3ccccc3C2)S(C)(=O)=O)c1 ZINC000013680118 570772869 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Cc1cc(=O)c(OCC(=O)N[C@@H]2CCCc3c4cccc(Cl)c4[nH]c32)c[nH]1 ZINC000524735670 570774439 /nfs/dbraw/zinc/77/44/39/570774439.db2.gz QOXKHSPYKNHPQW-OAHLLOKOSA-N 0 0 385.851 3.391 50 0 GGAARN Cn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1cccnc1 ZINC000009426906 570775276 /nfs/dbraw/zinc/77/52/76/570775276.db2.gz QXGCNBLZZNLLOF-UHFFFAOYSA-N 0 0 383.521 3.054 50 0 GGAARN O=C(c1ccco1)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1 ZINC000022997704 570775261 /nfs/dbraw/zinc/77/52/61/570775261.db2.gz RFHBKDFZLLJTIK-UHFFFAOYSA-N 0 0 389.452 3.398 50 0 GGAARN COc1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccccc3s2)cc1 ZINC000022998137 570775287 /nfs/dbraw/zinc/77/52/87/570775287.db2.gz GYVHFNMFJXHFMI-UHFFFAOYSA-N 0 0 397.500 3.284 50 0 GGAARN Cn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccc(F)c1 ZINC000009303940 570775306 /nfs/dbraw/zinc/77/53/06/570775306.db2.gz XVZLKQPWESIQFX-UHFFFAOYSA-N 0 0 382.464 3.298 50 0 GGAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1C ZINC000009303987 570775327 /nfs/dbraw/zinc/77/53/27/570775327.db2.gz 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O=C(NCCc1nc(-c2ccccc2)cs1)c1cn(-c2ccccc2)nn1 ZINC000072171472 570877352 /nfs/dbraw/zinc/87/73/52/570877352.db2.gz NZLXHVWRQRVRQB-UHFFFAOYSA-N 0 0 375.457 3.363 50 0 GGAARN COc1ccc(CC(=O)N[C@H]2CC(=O)N(Cc3cccc4ccccc43)C2)cc1 ZINC000072173892 570877432 /nfs/dbraw/zinc/87/74/32/570877432.db2.gz HGCLKTBPCONWCK-FQEVSTJZSA-N 0 0 388.467 3.308 50 0 GGAARN CC(C)(C)c1ncc2c(n1)CC(C)(C)C[C@@H]2NC(=O)CCCN1CCCC1=O ZINC000015071699 570877468 /nfs/dbraw/zinc/87/74/68/570877468.db2.gz HKOKNBKNPGQBAI-INIZCTEOSA-N 0 0 386.540 3.306 50 0 GGAARN COc1cccc(OC)c1CNc1nc(-c2cccnc2)nc2c1cnn2C ZINC000072169242 570877510 /nfs/dbraw/zinc/87/75/10/570877510.db2.gz BGRNMAZACJLQHM-UHFFFAOYSA-N 0 0 376.420 3.055 50 0 GGAARN Cc1nn2c([n-]1)nc(C[N@H+]1CCC[C@@H](Nc3ccc(C(C)C)cc3)C1)cc2=O ZINC000072169867 570877528 /nfs/dbraw/zinc/87/75/28/570877528.db2.gz ZMEVHLAZOWSENL-GOSISDBHSA-N 0 0 380.496 3.338 50 0 GGAARN O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2cccc(Cl)c2)C1=O)c1ccccc1 ZINC000003624291 570878661 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COc1ccc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)cc1 ZINC000003672618 570882711 /nfs/dbraw/zinc/88/27/11/570882711.db2.gz SJAZAKXIFCAUQU-UHFFFAOYSA-N 0 0 379.445 3.256 50 0 GGAARN COc1ccc(CCc2nnc(NC(=O)Cc3cn(C)c4ccccc34)[nH]2)cc1 ZINC000170625729 570882994 /nfs/dbraw/zinc/88/29/94/570882994.db2.gz WUTHWNTYNSIYJQ-UHFFFAOYSA-N 0 0 389.459 3.271 50 0 GGAARN Cc1sc2ncc(C(=O)Nc3nnc(Cc4ccccc4)s3)c(=O)n2c1C ZINC000071284237 570887530 /nfs/dbraw/zinc/88/75/30/570887530.db2.gz MUIUUWIENUQVQA-UHFFFAOYSA-N 0 0 397.485 3.067 50 0 GGAARN Cc1cc(-c2nn3c(Cc4ccccc4OC(F)(F)F)nnc3s2)n(C)n1 ZINC000071285521 570888334 /nfs/dbraw/zinc/88/83/34/570888334.db2.gz QGKWKUUXVJSWFO-UHFFFAOYSA-N 0 0 394.382 3.384 50 0 GGAARN Cc1ccc(NC(=O)N2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)c(C)c1 ZINC000033267529 570888777 /nfs/dbraw/zinc/88/87/77/570888777.db2.gz DZPCDRRZPBCNCZ-UHFFFAOYSA-N 0 0 394.450 3.386 50 0 GGAARN O=C(Cn1ccc2ccc(F)cc21)N1CCC(c2nnc3ccccn32)CC1 ZINC000071288019 570889240 /nfs/dbraw/zinc/88/92/40/570889240.db2.gz 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COc1ccc(NC(=O)CN2C(=O)COc3cc(C(C)(C)C)ccc32)cc1F ZINC000051316232 570907676 /nfs/dbraw/zinc/90/76/76/570907676.db2.gz WZXIFQHYRDQRNM-UHFFFAOYSA-N 0 0 386.423 3.496 50 0 GGAARN COC(=O)c1ccccc1NC(=O)CN1C(=O)COc2cc(C(C)(C)C)ccc21 ZINC000051316182 570907694 /nfs/dbraw/zinc/90/76/94/570907694.db2.gz VGCBVBUOHAALDQ-UHFFFAOYSA-N 0 0 396.443 3.135 50 0 GGAARN O=C([C@H]1CC(=O)N(CCc2ccccc2)C1)N1CCCC[C@H]1c1cccnc1 ZINC000263585061 570907770 /nfs/dbraw/zinc/90/77/70/570907770.db2.gz DRZFEGZWSDEJGM-SFTDATJTSA-N 0 0 377.488 3.226 50 0 biogenic GGAARN Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C)ncn3n2)c1 ZINC000051317009 570908950 /nfs/dbraw/zinc/90/89/50/570908950.db2.gz PIFFBWJCJNNNFF-UHFFFAOYSA-N 0 0 387.443 3.122 50 0 GGAARN Cc1cccc(NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)c1 ZINC000051317011 570908960 /nfs/dbraw/zinc/90/89/60/570908960.db2.gz URJIEQFUVHMWJH-UHFFFAOYSA-N 0 0 387.443 3.122 50 0 GGAARN CCOC(=O)c1cn2nc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)sc2n1 ZINC000498050575 570909264 /nfs/dbraw/zinc/90/92/64/570909264.db2.gz NVTPSARAIWTPCS-LLVKDONJSA-N 0 0 380.470 3.082 50 0 GGAARN CCOc1ccc(Cl)cc1CN(C)C(=O)N[C@H](c1ncnn1C)C(C)C ZINC000534644755 570909527 /nfs/dbraw/zinc/90/95/27/570909527.db2.gz MEWLJFZCNPLNOH-INIZCTEOSA-N 0 0 379.892 3.406 50 0 GGAARN Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)nnn1-c1ccc(Cl)cc1 ZINC000051317504 570909844 /nfs/dbraw/zinc/90/98/44/570909844.db2.gz ORTLDQOUTASDBD-UHFFFAOYSA-N 0 0 399.857 3.331 50 0 GGAARN Cc1cccc2[nH]nc(-c3ccc(C(=O)NCC4(CO)CCOCC4)cc3)c21 ZINC000534645503 570909987 /nfs/dbraw/zinc/90/99/87/570909987.db2.gz ZEPPHWAGJXZPAO-UHFFFAOYSA-N 0 0 379.460 3.057 50 0 GGAARN CCOC(=O)N1CCC(NC(=O)c2ccc(-c3cnn(CC)c3C)cc2)CC1 ZINC000534645486 570910095 /nfs/dbraw/zinc/91/00/95/570910095.db2.gz WZCBLBRPANLVEL-UHFFFAOYSA-N 0 0 384.480 3.229 50 0 GGAARN Nc1ccnc(-c2cccc(C(=O)N3CCC(OCc4ccccc4)CC3)c2)n1 ZINC000534633525 570910745 /nfs/dbraw/zinc/91/07/45/570910745.db2.gz KCGXHBSUCXNRGI-UHFFFAOYSA-N 0 0 388.471 3.378 50 0 GGAARN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1ccc(-c3cncc(C(N)=O)n3)cc1)C2 ZINC000534633634 570910791 /nfs/dbraw/zinc/91/07/91/570910791.db2.gz IPINODLUCGVMCL-OPAMFIHVSA-N 0 0 378.476 3.283 50 0 GGAARN C[C@@H](NC(=O)N(Cc1cnn(C)c1)C1CC1)c1cnn(-c2ccccc2F)c1 ZINC000534634221 570911293 /nfs/dbraw/zinc/91/12/93/570911293.db2.gz SNAYKGXCCFAARP-CQSZACIVSA-N 0 0 382.443 3.180 50 0 GGAARN CCN(CC(F)(F)F)C(=O)c1ccc(-c2cc(C(N)=O)ccc2OC)cc1 ZINC000534634849 570911318 /nfs/dbraw/zinc/91/13/18/570911318.db2.gz QYSGDJGOMRWSRS-UHFFFAOYSA-N 0 0 380.366 3.486 50 0 GGAARN Cc1cnc(C)c(N2CCN(C(=O)NCCCSc3ccccc3)CC2)n1 ZINC000534634332 570911360 /nfs/dbraw/zinc/91/13/60/570911360.db2.gz IXOWRCSALYFDDM-UHFFFAOYSA-N 0 0 385.537 3.107 50 0 GGAARN CCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000007572424 570912162 /nfs/dbraw/zinc/91/21/62/570912162.db2.gz UWFSXPNGFLLSKB-UHFFFAOYSA-N 0 0 392.496 3.434 50 0 GGAARN Cc1cc(-c2cccc(C(=O)NC[C@H](CO)Cc3ccco3)c2)c(=O)[nH]c1C ZINC000534637721 570912207 /nfs/dbraw/zinc/91/22/07/570912207.db2.gz ALTAHHFCYSSFMF-MRXNPFEDSA-N 0 0 380.444 3.245 50 0 GGAARN O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccc(F)cc1Cl ZINC000051319620 570912333 /nfs/dbraw/zinc/91/23/33/570912333.db2.gz KTTJDBMOJJEAAN-UHFFFAOYSA-N 0 0 375.762 3.481 50 0 GGAARN COc1ccc([C@@H](C)N(C)C(=O)c2ccc(-c3cnn(CCO)c3)cc2)cc1 ZINC000534639992 570912723 /nfs/dbraw/zinc/91/27/23/570912723.db2.gz XJKSHQVWNLYEJF-MRXNPFEDSA-N 0 0 379.460 3.384 50 0 GGAARN Cc1cc(C)c(N(C[C@H](O)COc2ccc(Cl)cc2)S(C)(=O)=O)c(C)c1 ZINC000016839742 570912849 /nfs/dbraw/zinc/91/28/49/570912849.db2.gz NRSGCMOOYAHEMV-KRWDZBQOSA-N 0 0 397.924 3.471 50 0 GGAARN Cc1c(-c2ccc(C(=O)N3CCC(Oc4cccnc4)CC3)cc2)cnn1C ZINC000534651034 570913661 /nfs/dbraw/zinc/91/36/61/570913661.db2.gz LDMLURPQDBNPAA-UHFFFAOYSA-N 0 0 376.460 3.474 50 0 GGAARN COc1ccc(CCS(=O)(=O)NCCc2ccc(N3CCCC3)cc2)cc1 ZINC000016847319 570913738 /nfs/dbraw/zinc/91/37/38/570913738.db2.gz KBVNIDOVFUATMF-UHFFFAOYSA-N 0 0 388.533 3.000 50 0 GGAARN CCN(Cc1noc(C2CC2)n1)C(=O)NCCc1nc2ccccc2n1CC ZINC000534651827 570914159 /nfs/dbraw/zinc/91/41/59/570914159.db2.gz PRAAROCCNGMXOD-UHFFFAOYSA-N 0 0 382.468 3.091 50 0 GGAARN O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NCc1ccccn1 ZINC000016848967 570914194 /nfs/dbraw/zinc/91/41/94/570914194.db2.gz OCYXLCUVYUXWJZ-UHFFFAOYSA-N 0 0 381.461 3.431 50 0 GGAARN COc1ccc(C(=O)OCC(=O)Nc2cc(Cl)c(OC)cc2OC)cc1F ZINC000011269752 570914261 /nfs/dbraw/zinc/91/42/61/570914261.db2.gz MCQLLKDYGDJTJC-UHFFFAOYSA-N 0 0 397.786 3.300 50 0 GGAARN CNC(=O)Cn1cc(-c2cccc(C(=O)N3CCC[C@H]3c3ccccc3)c2)cn1 ZINC000534651210 570914313 /nfs/dbraw/zinc/91/43/13/570914313.db2.gz LLZJOGZVSCXYKA-NRFANRHFSA-N 0 0 388.471 3.273 50 0 GGAARN C[C@H](O)c1cccc(-c2cccc(C(=O)NCc3csc(N(C)C)n3)c2)n1 ZINC000534653656 570914519 /nfs/dbraw/zinc/91/45/19/570914519.db2.gz DJXKTUFWQPBROS-ZDUSSCGKSA-N 0 0 382.489 3.254 50 0 GGAARN O=C(c1ccc2c(c1)OCCO2)N1CCN(c2nc3ccc(F)cc3s2)CC1 ZINC000004583453 570914527 /nfs/dbraw/zinc/91/45/27/570914527.db2.gz 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ZINC000004583482 570915380 /nfs/dbraw/zinc/91/53/80/570915380.db2.gz HMSZCQZOPVXALN-UHFFFAOYSA-N 0 0 395.484 3.470 50 0 GGAARN CC(C)n1cnnc1CCNC(=O)N(C)[C@H](C)c1cc(-c2ccccc2)n[nH]1 ZINC000534655905 570915427 /nfs/dbraw/zinc/91/54/27/570915427.db2.gz HAAIHQJPVYEIJV-OAHLLOKOSA-N 0 0 381.484 3.194 50 0 GGAARN COC(=O)c1c(-c2cccc(C(=O)N[C@H]3CCc4ccccc4C3)c2)cnn1C ZINC000534656102 570915538 /nfs/dbraw/zinc/91/55/38/570915538.db2.gz QLDVLCSTBSQVSJ-IBGZPJMESA-N 0 0 389.455 3.161 50 0 GGAARN O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)NC1CCCCC1 ZINC000004583882 570915881 /nfs/dbraw/zinc/91/58/81/570915881.db2.gz QXQRJTIEPQJKJJ-UHFFFAOYSA-N 0 0 396.487 3.026 50 0 GGAARN CCNC(=O)[C@@H]1CCN(C(=O)NCC(C)(c2ccccc2)c2ccccc2)C1 ZINC000534658123 570916378 /nfs/dbraw/zinc/91/63/78/570916378.db2.gz GYWQQOCFCVDEHA-GOSISDBHSA-N 0 0 379.504 3.160 50 0 GGAARN Cc1cc(NC(=O)CSc2nnc(C)c3cnn(-c4ccc(F)cc4)c32)no1 ZINC000023137643 570916501 /nfs/dbraw/zinc/91/65/01/570916501.db2.gz UQHQEOSGIRQCBD-UHFFFAOYSA-N 0 0 398.423 3.290 50 0 GGAARN Cc1cc(C)n(Cc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2)n1 ZINC000534660355 570916770 /nfs/dbraw/zinc/91/67/70/570916770.db2.gz KGTFVOZGPHSPHU-UHFFFAOYSA-N 0 0 376.460 3.083 50 0 GGAARN O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCC(Oc2cccnc2)CC1 ZINC000534660372 570916853 /nfs/dbraw/zinc/91/68/53/570916853.db2.gz SUACJHPSIBUWBS-GOSISDBHSA-N 0 0 380.492 3.161 50 0 GGAARN Cc1nc(S[C@@H](C)c2ccccc2)[nH]c(=O)c1CC(=O)NCc1ccco1 ZINC000023138687 570916950 /nfs/dbraw/zinc/91/69/50/570916950.db2.gz MWIQRVXBSRCORO-AWEZNQCLSA-N 0 0 383.473 3.384 50 0 GGAARN O=C(NCCc1ccco1)c1cccc(-c2c(=O)[nH]ncc2N2CCCC2)c1 ZINC000534648656 570917320 /nfs/dbraw/zinc/91/73/20/570917320.db2.gz DOVAGPPZXPBVOL-UHFFFAOYSA-N 0 0 378.432 3.015 50 0 GGAARN COc1ccc2c(c1)[C@H](C)N(C(=O)c1cccc(-c3ccc(=O)n(C)n3)c1)CC2 ZINC000534649190 570917632 /nfs/dbraw/zinc/91/76/32/570917632.db2.gz INAOHKXXKJGTNK-HNNXBMFYSA-N 0 0 389.455 3.215 50 0 GGAARN Cc1nc2sccn2c1-c1nnc(SCC(=O)NC2CCCCC2)n1C ZINC000023141460 570917916 /nfs/dbraw/zinc/91/79/16/570917916.db2.gz KDFKAKPUIBTYQA-UHFFFAOYSA-N 0 0 390.538 3.041 50 0 GGAARN Cc1cc(C)n(-c2cc(NCCNC(=O)c3cccc(Cl)c3)nc(C)n2)n1 ZINC000023144379 570918301 /nfs/dbraw/zinc/91/83/01/570918301.db2.gz OWZZMDISSTUNSO-UHFFFAOYSA-N 0 0 384.871 3.083 50 0 GGAARN CC[C@@H](C(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O)c1ccccc1 ZINC000004032803 570918501 /nfs/dbraw/zinc/91/85/01/570918501.db2.gz OFFSRSSBXMJMNM-QGZVFWFLSA-N 0 0 394.471 3.398 50 0 GGAARN COc1cc([C@@H](C)NC(=O)N(C)CCC2(O)CCCC2)cc(OC)c1OC ZINC000534664692 570918989 /nfs/dbraw/zinc/91/89/89/570918989.db2.gz BRGURAOBTBAEEZ-CQSZACIVSA-N 0 0 380.485 3.110 50 0 GGAARN Nn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cccs1 ZINC000004586014 570919229 /nfs/dbraw/zinc/91/92/29/570919229.db2.gz HNBPAZQFHJCQNL-UHFFFAOYSA-N 0 0 399.423 3.470 50 0 GGAARN O=C(Cn1c2ccccc2nc1-c1ccccn1)NCc1ccc2c(c1)OCO2 ZINC000023144066 570919410 /nfs/dbraw/zinc/91/94/10/570919410.db2.gz NHKUKWOHKJNJFX-UHFFFAOYSA-N 0 0 386.411 3.143 50 0 GGAARN CCn1cc(-c2ccc(C(=O)N3CCCN(C(=O)C4CCC4)CC3)cc2)cn1 ZINC000534666104 570919462 /nfs/dbraw/zinc/91/94/62/570919462.db2.gz AXNBUJFDXRFLNA-UHFFFAOYSA-N 0 0 380.492 3.045 50 0 GGAARN O=C([O-])[C@]12CN(C(=O)c3ccc4ncsc4c3)C[C@H]1C[N@@H+](C1CCCCC1)C2 ZINC000534666215 570919471 /nfs/dbraw/zinc/91/94/71/570919471.db2.gz RRUZRYIIIUDBFV-QVKFZJNVSA-N 0 0 399.516 3.088 50 0 GGAARN Cc1cc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2cc1C ZINC000004586149 570919673 /nfs/dbraw/zinc/91/96/73/570919673.db2.gz XBDBNQRCPJFLQS-UHFFFAOYSA-N 0 0 389.502 3.416 50 0 GGAARN CC(C)[C@H](NC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1nccn1C ZINC000534667797 570919914 /nfs/dbraw/zinc/91/99/14/570919914.db2.gz PXNMYNDILFYUMY-OSICKASQSA-N 0 0 381.524 3.158 50 0 GGAARN C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000008168792 570920486 /nfs/dbraw/zinc/92/04/86/570920486.db2.gz MGTLKQVZHHUKSM-HNNXBMFYSA-N 0 0 392.546 3.069 50 0 GGAARN CC(C)Cc1noc(CNC(=O)N2CCC[C@H](C(=O)c3cccs3)C2)n1 ZINC000534670871 570920823 /nfs/dbraw/zinc/92/08/23/570920823.db2.gz BWGLNFPYACFRAY-ZDUSSCGKSA-N 0 0 376.482 3.134 50 0 GGAARN CC(C)N(C(=O)c1ccccc1-c1ccc(NS(C)(=O)=O)nc1)C(C)C ZINC000534671783 570921209 /nfs/dbraw/zinc/92/12/09/570921209.db2.gz QZQRALSIKKUBSC-UHFFFAOYSA-N 0 0 375.494 3.379 50 0 GGAARN Cc1c(-c2cccc(C(=O)N3CCCC[C@H]3CO)c2)c(C(F)(F)F)nn1C ZINC000534661834 570922093 /nfs/dbraw/zinc/92/20/93/570922093.db2.gz GRSWBXNGCRARIC-HNNXBMFYSA-N 0 0 381.398 3.401 50 0 GGAARN CCOc1ccc(-c2cccc(C(=O)NCCCc3c(C)n[nH]c3C)c2)nn1 ZINC000534661627 570922151 /nfs/dbraw/zinc/92/21/51/570922151.db2.gz NMFZBFIXWLQEKJ-UHFFFAOYSA-N 0 0 379.464 3.245 50 0 GGAARN Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)Nc1cc(C)cc(C)c1 ZINC000016981185 570922095 /nfs/dbraw/zinc/92/20/95/570922095.db2.gz FJEGIUUNOBKTKL-UHFFFAOYSA-N 0 0 393.491 3.377 50 0 GGAARN Cc1cc(C2CCC2)nc(-c2cccc(C(=O)N3CCC(=O)NC[C@@H]3C)c2)n1 ZINC000534664275 570922407 /nfs/dbraw/zinc/92/24/07/570922407.db2.gz UMPNMGUHGYVJIF-HNNXBMFYSA-N 0 0 378.476 3.070 50 0 GGAARN COc1cccc(N2CCN(C(=O)N[C@H](C)c3ccc(C)cc3C)CC2=O)c1 ZINC000534662748 570922429 /nfs/dbraw/zinc/92/24/29/570922429.db2.gz ZCJSOLASTVYOPQ-QGZVFWFLSA-N 0 0 381.476 3.431 50 0 GGAARN Cc1c(C(=O)N2CCC[C@]3(C2)OC(=O)c2ccccc23)cnn1-c1ccccc1 ZINC000207986577 570923578 /nfs/dbraw/zinc/92/35/78/570923578.db2.gz NHHVKMGMQCUYTN-HSZRJFAPSA-N 0 0 387.439 3.483 50 0 GGAARN CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccc(C)cc1 ZINC000004036075 570923918 /nfs/dbraw/zinc/92/39/18/570923918.db2.gz VRQHZZLOOXDXPY-IBGZPJMESA-N 0 0 385.489 3.454 50 0 GGAARN C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)N(c1ccc3c(c1)OCCO3)C2=O ZINC000004046492 570924948 /nfs/dbraw/zinc/92/49/48/570924948.db2.gz MBLOBZMPWFIVHD-QFIPXVFZSA-N 0 0 389.411 3.179 50 0 biogenic GGAARN COc1ccc(SCC(=O)Nc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC000004053827 570925858 /nfs/dbraw/zinc/92/58/58/570925858.db2.gz QZEFPVOEMNXCQP-UHFFFAOYSA-N 0 0 389.496 3.317 50 0 GGAARN O=C(COc1ccc(Cl)cc1)NCC1N=NC(=S)N1c1ccc(F)cc1 ZINC000004059257 570926384 /nfs/dbraw/zinc/92/63/84/570926384.db2.gz FOWKBTGOAZGXFT-UHFFFAOYSA-N 0 0 392.843 3.044 50 0 GGAARN COc1ccc(-n2c(SCC(N)=O)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000004061627 570927624 /nfs/dbraw/zinc/92/76/24/570927624.db2.gz MZPRZDAPYGJDEJ-UHFFFAOYSA-N 0 0 379.445 3.002 50 0 GGAARN CCOC(=O)COc1ccc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)cc1OC ZINC000004074237 570930231 /nfs/dbraw/zinc/93/02/31/570930231.db2.gz MXGVUZGVYAUXBI-GQCTYLIASA-N 0 0 398.337 3.322 50 0 GGAARN COc1ccc2nc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)sc2c1 ZINC000004079287 570930698 /nfs/dbraw/zinc/93/06/98/570930698.db2.gz LIWFQCTVRWQUPM-UHFFFAOYSA-N 0 0 381.413 3.211 50 0 GGAARN O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)Nc1ccccc1 ZINC000001051225 570930863 /nfs/dbraw/zinc/93/08/63/570930863.db2.gz SAPUQKHPXBXECW-UHFFFAOYSA-N 0 0 394.880 3.142 50 0 GGAARN COc1ccc2oc(=O)c(C(=O)N3CCN(c4ccccc4C)CC3)cc2c1 ZINC000001058338 570930930 /nfs/dbraw/zinc/93/09/30/570930930.db2.gz HPCKTPJSVBSCOG-UHFFFAOYSA-N 0 0 378.428 3.072 50 0 GGAARN COc1ccccc1CNC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C ZINC000004081687 570931807 /nfs/dbraw/zinc/93/18/07/570931807.db2.gz DEXONAUBFKGILK-XLIONFOSSA-N 0 0 382.485 3.360 50 0 biogenic GGAARN COc1cccc(-c2cc(CNC(=O)c3cc4ccccc4oc3=O)no2)c1 ZINC000012637620 570932479 /nfs/dbraw/zinc/93/24/79/570932479.db2.gz LOPYMEDFRADWMN-UHFFFAOYSA-N 0 0 376.368 3.387 50 0 GGAARN Cc1ccccc1C(=O)Nc1c2c(nn1-c1ccccc1C)CS(=O)(=O)C2 ZINC000004088640 570933150 /nfs/dbraw/zinc/93/31/50/570933150.db2.gz RBPMQPDGFHQEJH-UHFFFAOYSA-N 0 0 381.457 3.170 50 0 GGAARN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)(C)C)c(C)c2)cc1 ZINC000002871714 570933772 /nfs/dbraw/zinc/93/37/72/570933772.db2.gz LUEPFHRTMDMYLP-UHFFFAOYSA-N 0 0 390.505 3.398 50 0 GGAARN O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NC1CCCC1 ZINC000002873195 570933785 /nfs/dbraw/zinc/93/37/85/570933785.db2.gz KAAWQXXZLJXOTC-UHFFFAOYSA-N 0 0 392.452 3.064 50 0 GGAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc(-c2ccccc2)cs1 ZINC000017028189 570937400 /nfs/dbraw/zinc/93/74/00/570937400.db2.gz HWMGQIIQSCTYAD-HUUCEWRRSA-N 0 0 383.473 3.314 50 0 GGAARN CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000006747616 570939300 /nfs/dbraw/zinc/93/93/00/570939300.db2.gz VTIRCCWDWPVMJN-CYBMUJFWSA-N 0 0 392.443 3.486 50 0 GGAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(OC)cc1OC ZINC000002090984 570939996 /nfs/dbraw/zinc/93/99/96/570939996.db2.gz BKTMCDIBYBUMLR-SFHVURJKSA-N 0 0 397.431 3.091 50 0 biogenic GGAARN O=C(CCCNC(=O)OCc1ccccc1)Oc1ccc2ccc(=O)oc2c1 ZINC000002092443 570940437 /nfs/dbraw/zinc/94/04/37/570940437.db2.gz QFERGIJBTYZRAM-UHFFFAOYSA-N 0 0 381.384 3.405 50 0 biogenic GGAARN COc1ccc(CC[C@@H](C)NC(=O)Cc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000002099719 570941772 /nfs/dbraw/zinc/94/17/72/570941772.db2.gz QNPHNBZPMNVQHE-OAHLLOKOSA-N 0 0 387.476 3.401 50 0 biogenic GGAARN CC[C@H](C)[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1nc2ccccc2[nH]1 ZINC000047174009 570945826 /nfs/dbraw/zinc/94/58/26/570945826.db2.gz VCBKCQDCBJLPFR-VBKZILBWSA-N 0 0 389.459 3.176 50 0 GGAARN CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1ccncc1 ZINC000002264005 570947179 /nfs/dbraw/zinc/94/71/79/570947179.db2.gz PCWOBXYUKULCBR-UHFFFAOYSA-N 0 0 399.476 3.108 50 0 GGAARN COCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@@H]1c1ccccc1 ZINC000004732752 570947359 /nfs/dbraw/zinc/94/73/59/570947359.db2.gz QZYVBIABSZFIRZ-MOPGFXCFSA-N 0 0 378.432 3.001 50 0 GGAARN Cc1cc(C(=O)NCc2ccco2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 ZINC000033271951 570947433 /nfs/dbraw/zinc/94/74/33/570947433.db2.gz DRFWHYZUUSEVQC-UHFFFAOYSA-N 0 0 382.441 3.324 50 0 GGAARN COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C(C)C)cc1OC ZINC000004732516 570947531 /nfs/dbraw/zinc/94/75/31/570947531.db2.gz SXAZHRQAKODVNE-UHFFFAOYSA-N 0 0 381.436 3.266 50 0 GGAARN O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nc(-c2ccccn2)cs1 ZINC000010620559 570947734 /nfs/dbraw/zinc/94/77/34/570947734.db2.gz QTGUMWSKCWVHEY-UHFFFAOYSA-N 0 0 387.486 3.149 50 0 GGAARN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccccn1 ZINC000002427741 570947783 /nfs/dbraw/zinc/94/77/83/570947783.db2.gz JZVTWDYBIZGTID-UHFFFAOYSA-N 0 0 383.477 3.408 50 0 GGAARN CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccccc3)CC(=O)N21 ZINC000002106784 570948601 /nfs/dbraw/zinc/94/86/01/570948601.db2.gz HNCOIYRRFJWEDA-FQEVSTJZSA-N 0 0 387.483 3.241 50 0 biogenic GGAARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000033325605 570949099 /nfs/dbraw/zinc/94/90/99/570949099.db2.gz QHUQVCAHPRCRGC-GOSISDBHSA-N 0 0 395.484 3.470 50 0 GGAARN CC[C@@H](C)NC(=O)c1cc(-c2ccc(C)c(C)c2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000033325673 570949595 /nfs/dbraw/zinc/94/95/95/570949595.db2.gz UIXRGTVGCPLSKY-WBVHZDCISA-N 0 0 389.521 3.055 50 0 GGAARN COc1cc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc(OC)c1OC ZINC000002109153 570949845 /nfs/dbraw/zinc/94/98/45/570949845.db2.gz BALTZXMGFRLVIO-YSESTWPTSA-N 0 0 394.471 3.350 50 0 biogenic GGAARN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\C(=O)Nc3ccccc3)C2=O)c1 ZINC000001248033 570950238 /nfs/dbraw/zinc/95/02/38/570950238.db2.gz GDSOQHDHYQBBOW-WJDWOHSUSA-N 0 0 395.440 3.152 50 0 GGAARN COc1ccc(OCCSc2nnc(CC(=O)Nc3ccccc3)n2C)cc1 ZINC000004735986 570950294 /nfs/dbraw/zinc/95/02/94/570950294.db2.gz WOOCZVLDYLSQOJ-UHFFFAOYSA-N 0 0 398.488 3.176 50 0 GGAARN Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C3CC3)CC(=O)N21 ZINC000002111694 570950665 /nfs/dbraw/zinc/95/06/65/570950665.db2.gz KNDMVJRPJMMTRO-REWPJTCUSA-N 0 0 385.467 3.324 50 0 biogenic GGAARN Cc1ccccc1Cn1cc(N2C(=O)[C@H]3Cc4ccccc4CN3C2=S)cn1 ZINC000002799216 570951280 /nfs/dbraw/zinc/95/12/80/570951280.db2.gz ZIMDDKJDHCUARL-HXUWFJFHSA-N 0 0 388.496 3.298 50 0 GGAARN CCOC(=O)c1sc(Nc2nc(-c3ccc(OC)cc3)cc(=O)[nH]2)nc1C ZINC000019819600 570951322 /nfs/dbraw/zinc/95/13/22/570951322.db2.gz DHLVSEILWHQQFT-UHFFFAOYSA-N 0 0 386.433 3.131 50 0 GGAARN O=C(OCCn1cncn1)[C@@H](NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000585138577 570951273 /nfs/dbraw/zinc/95/12/73/570951273.db2.gz GNVAYXJUFHKFKJ-LBPRGKRZSA-N 0 0 397.184 3.021 50 0 GGAARN COC(=O)[C@H](CC(C)C)NC(=O)CSc1nc(-c2ccccc2)c(C)[nH]1 ZINC000004736590 570951787 /nfs/dbraw/zinc/95/17/87/570951787.db2.gz XTIUKNYPVRSMQB-HNNXBMFYSA-N 0 0 375.494 3.181 50 0 GGAARN COc1ccc([C@H](O)CN2CCc3c(nc(Cc4ccccc4)n3C)C2)cc1 ZINC000001271186 570951865 /nfs/dbraw/zinc/95/18/65/570951865.db2.gz OLPFKHRRXGKSCW-JOCHJYFZSA-N 0 0 377.488 3.111 50 0 GGAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cccc(OCn2cc(Cl)cn2)c1 ZINC000020606052 570952105 /nfs/dbraw/zinc/95/21/05/570952105.db2.gz ZSSPVIXZVTWBQU-UHFFFAOYSA-N 0 0 387.871 3.196 50 0 GGAARN COc1ccc(-c2nn3ccn(Cc4ccc(Cl)cc4)c(=O)c3c2CO)cc1 ZINC000263614996 570952206 /nfs/dbraw/zinc/95/22/06/570952206.db2.gz ABMOURKBSNXCTC-UHFFFAOYSA-N 0 0 395.846 3.366 50 0 GGAARN Cc1ccc(-c2nn3ccn(Cc4cc(F)cc(F)c4)c(=O)c3c2CO)cc1 ZINC000263614992 570952225 /nfs/dbraw/zinc/95/22/25/570952225.db2.gz ABCMQXLDOVZZTR-UHFFFAOYSA-N 0 0 381.382 3.290 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc(F)c(F)c4)c3CO2)cc1 ZINC000263615259 570952984 /nfs/dbraw/zinc/95/29/84/570952984.db2.gz BMAPKBVTIFSNLL-KRWDZBQOSA-N 0 0 386.358 3.089 50 0 GGAARN Cc1ccc(NC(=O)CC(C)(C)CC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000004739936 570953835 /nfs/dbraw/zinc/95/38/35/570953835.db2.gz CMWVPVIFIQQFHG-UHFFFAOYSA-N 0 0 394.519 3.484 50 0 GGAARN Cc1ccc(F)cc1NC(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000194317476 570954299 /nfs/dbraw/zinc/95/42/99/570954299.db2.gz XKWSLFXAKNBPMD-UHFFFAOYSA-N 0 0 377.441 3.096 50 0 GGAARN Cc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1 ZINC000106213413 570954822 /nfs/dbraw/zinc/95/48/22/570954822.db2.gz ZFRUHMKBOJVGGP-RLFYNMQTSA-N 0 0 378.350 3.099 50 0 GGAARN CN(C)C(=O)c1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000194435871 570955059 /nfs/dbraw/zinc/95/50/59/570955059.db2.gz NDJBUCOIZGQZRK-OAHLLOKOSA-N 0 0 384.455 3.176 50 0 GGAARN COc1ccc2c(c1)c1nc(SCc3c(C)noc3C)n(C)c(=O)c1n2C ZINC000033287773 570955859 /nfs/dbraw/zinc/95/58/59/570955859.db2.gz ZZJIMHGXZSHOOZ-UHFFFAOYSA-N 0 0 384.461 3.331 50 0 GGAARN Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)no1 ZINC000012029141 570956629 /nfs/dbraw/zinc/95/66/29/570956629.db2.gz QFQIKGBIAJHFLK-INIZCTEOSA-N 0 0 391.493 3.072 50 0 GGAARN COc1cccc(-c2cc(C(=O)NC[C@H]3CCCN3c3ccccc3)n(C)n2)c1 ZINC000207992887 570956703 /nfs/dbraw/zinc/95/67/03/570956703.db2.gz WZKGVTIGKZOVPN-LJQANCHMSA-N 0 0 390.487 3.495 50 0 GGAARN COc1ccccc1-c1cc(C(=O)NC[C@H]2CCCN2c2ccccc2)[nH]n1 ZINC000207992779 570956772 /nfs/dbraw/zinc/95/67/72/570956772.db2.gz TWKJXBOCZQUNAD-QGZVFWFLSA-N 0 0 376.460 3.484 50 0 GGAARN COc1ccc2c(C)c(CC(=O)NCc3ccc(C)cc3)c(=O)oc2c1OC ZINC000004743076 570956774 /nfs/dbraw/zinc/95/67/74/570956774.db2.gz CNYBJAISQIINHR-UHFFFAOYSA-N 0 0 381.428 3.286 50 0 GGAARN COc1cc2oc(=O)c(CC(=O)NCc3ccc(F)cc3)c(C)c2cc1OC ZINC000004743014 570956794 /nfs/dbraw/zinc/95/67/94/570956794.db2.gz KGAQLXDWASNLQD-UHFFFAOYSA-N 0 0 385.391 3.117 50 0 GGAARN COc1cc2oc(=O)c(CC(=O)NCCc3ccccc3F)c(C)c2cc1OC ZINC000004742545 570956804 /nfs/dbraw/zinc/95/68/04/570956804.db2.gz WQKUVKYSJGFULB-UHFFFAOYSA-N 0 0 399.418 3.159 50 0 GGAARN c1ccc(-n2nnnc2Oc2cccc(Oc3nnnn3-c3ccccc3)c2)cc1 ZINC000004742923 570956934 /nfs/dbraw/zinc/95/69/34/570956934.db2.gz NZIPGRQWQYIFCP-UHFFFAOYSA-N 0 0 398.386 3.223 50 0 GGAARN COc1ccc(CCNC(=O)CCc2c(C)c3ccc(O)cc3oc2=O)cc1 ZINC000004743325 570957322 /nfs/dbraw/zinc/95/73/22/570957322.db2.gz COIJMQUSCWNHPX-UHFFFAOYSA-N 0 0 381.428 3.107 50 0 biogenic GGAARN Oc1ccc(Nc2nc(OCC(F)(F)F)nc(OCC(F)(F)F)n2)cc1 ZINC000004746831 570958258 /nfs/dbraw/zinc/95/82/58/570958258.db2.gz GAEMQAAEWZVRAZ-UHFFFAOYSA-N 0 0 384.236 3.203 50 0 GGAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000001326958 570958336 /nfs/dbraw/zinc/95/83/36/570958336.db2.gz XALFJWCXGFURDK-UHFFFAOYSA-N 0 0 398.488 3.090 50 0 GGAARN COc1ccc(Oc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 ZINC000002127924 570958371 /nfs/dbraw/zinc/95/83/71/570958371.db2.gz SLKXXCARVWGGGL-UHFFFAOYSA-N 0 0 380.400 3.285 50 0 biogenic GGAARN O=C(NCc1cccnc1)[C@@H]1CCCN(c2ncnc3c4ccccc4oc32)C1 ZINC000033290525 570958710 /nfs/dbraw/zinc/95/87/10/570958710.db2.gz SFGLWMDXYPNELK-MRXNPFEDSA-N 0 0 387.443 3.304 50 0 GGAARN CSCC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1nc2ccccc2[nH]1 ZINC000060667805 570959002 /nfs/dbraw/zinc/95/90/02/570959002.db2.gz YBBUGPLENZRKSQ-HNNXBMFYSA-N 0 0 396.472 3.118 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)cc1 ZINC000012111644 570959166 /nfs/dbraw/zinc/95/91/66/570959166.db2.gz BVUANMVWNQBBKB-UHFFFAOYSA-N 0 0 397.818 3.315 50 0 GGAARN Cc1oc(-c2ccccc2)nc1Cn1nnc(C(=O)Nc2cccc(F)c2)c1N ZINC000033291707 570959211 /nfs/dbraw/zinc/95/92/11/570959211.db2.gz WXVKKXSUINPGMH-UHFFFAOYSA-N 0 0 392.394 3.263 50 0 GGAARN Cc1nc(-n2nc(C3CC3)cc2NC(=O)c2cc3ccccc3o2)[nH]c(=O)c1C ZINC000012127285 570959475 /nfs/dbraw/zinc/95/94/75/570959475.db2.gz XSJMOEVMYWZIKA-UHFFFAOYSA-N 0 0 389.415 3.448 50 0 GGAARN CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2cc(C3CC3)on2)n1 ZINC000012126686 570959845 /nfs/dbraw/zinc/95/98/45/570959845.db2.gz FATJZHLKWZOFGO-UHFFFAOYSA-N 0 0 394.435 3.074 50 0 GGAARN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3F)cc2)CC1 ZINC000012140133 570960310 /nfs/dbraw/zinc/96/03/10/570960310.db2.gz IFODHHWXCXPXRG-UHFFFAOYSA-N 0 0 376.453 3.499 50 0 GGAARN Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)NCCc1ccc(F)cc1 ZINC000012166586 570960591 /nfs/dbraw/zinc/96/05/91/570960591.db2.gz LQYKPALZHNYMBL-UHFFFAOYSA-N 0 0 398.409 3.215 50 0 GGAARN COC(=O)c1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)cc1 ZINC000012165717 570960779 /nfs/dbraw/zinc/96/07/79/570960779.db2.gz LENRPPOOAIFJJY-UHFFFAOYSA-N 0 0 392.411 3.003 50 0 GGAARN COc1ccc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)cn1 ZINC000252462735 570961039 /nfs/dbraw/zinc/96/10/39/570961039.db2.gz VTWYJLNPWFHGTL-WKILWMFISA-N 0 0 392.459 3.245 50 0 GGAARN O=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCCC[C@H]1CN1CCOCC1 ZINC000465829780 570962866 /nfs/dbraw/zinc/96/28/66/570962866.db2.gz AZZJRPFVZFNIGE-IBGZPJMESA-N 0 0 391.943 3.268 50 0 GGAARN CCCn1ccc2cc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)ccc21 ZINC000195171303 570962983 /nfs/dbraw/zinc/96/29/83/570962983.db2.gz AEMARCQHOAITGH-UHFFFAOYSA-N 0 0 383.473 3.371 50 0 GGAARN CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)o1 ZINC000195287150 570964050 /nfs/dbraw/zinc/96/40/50/570964050.db2.gz DHTORNYINLDUKW-UHFFFAOYSA-N 0 0 399.472 3.276 50 0 GGAARN CCOc1ccc(N2CC3=C(C2=O)[C@H](c2ccc(OC)cc2)NC(=O)N3C)cc1 ZINC000004753642 570964274 /nfs/dbraw/zinc/96/42/74/570964274.db2.gz QPTJCZHZPQUUTO-FQEVSTJZSA-N 0 0 393.443 3.091 50 0 GGAARN Cc1ccc(-c2nsc3c2ncn(CC(=O)NC2CCCCC2)c3=O)cc1 ZINC000033300026 570964387 /nfs/dbraw/zinc/96/43/87/570964387.db2.gz ZOHIJZIGGCNWBX-UHFFFAOYSA-N 0 0 382.489 3.277 50 0 GGAARN COC(=O)c1ccccc1N1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](C)N2C1=O ZINC000004086223 570966108 /nfs/dbraw/zinc/96/61/08/570966108.db2.gz XFIKOZWDYXMPFB-XIKOKIGWSA-N 0 0 389.411 3.409 50 0 biogenic GGAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)Nc2ccc(C)cc2C)c3=O)cc1 ZINC000004165794 570969357 /nfs/dbraw/zinc/96/93/57/570969357.db2.gz PXLLDSQFVBQOGF-UHFFFAOYSA-N 0 0 387.443 3.146 50 0 GGAARN Cc1ccc(-n2ncc3c2ncn(CC(=O)Nc2ccccc2C)c3=O)cc1C ZINC000004166073 570969369 /nfs/dbraw/zinc/96/93/69/570969369.db2.gz GGBPHYAEJKNLTG-UHFFFAOYSA-N 0 0 387.443 3.146 50 0 GGAARN CCCN1c2ccccc2S(=O)(=O)[C@H](c2ccc(OC)c(OC)c2)CC1=O ZINC000004166291 570969742 /nfs/dbraw/zinc/96/97/42/570969742.db2.gz GYXDLRVROPHFFA-IBGZPJMESA-N 0 0 389.473 3.366 50 0 GGAARN Cc1ccc(-n2nnc3c2ncnc3SCC(=O)Nc2ccccc2F)cc1 ZINC000004166615 570970077 /nfs/dbraw/zinc/97/00/77/570970077.db2.gz FQMRYPHHTMPPLO-UHFFFAOYSA-N 0 0 394.435 3.389 50 0 GGAARN O=C(CSc1ncnc2c1nnn2Cc1ccccc1F)c1ccccc1 ZINC000004166544 570970137 /nfs/dbraw/zinc/97/01/37/570970137.db2.gz LSQTVEYMJGWBCD-UHFFFAOYSA-N 0 0 379.420 3.384 50 0 GGAARN O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)Nc1ccccc1F ZINC000004166674 570970139 /nfs/dbraw/zinc/97/01/39/570970139.db2.gz GRAYMQGFAXIGPJ-UHFFFAOYSA-N 0 0 398.398 3.220 50 0 GGAARN Cc1ccccc1NC(=O)CSc1ncnc2c1nnn2-c1ccc(F)cc1 ZINC000004166657 570970171 /nfs/dbraw/zinc/97/01/71/570970171.db2.gz LDFCTWLMXSIDLQ-UHFFFAOYSA-N 0 0 394.435 3.389 50 0 GGAARN CC1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccn2)CC1 ZINC000004762716 570970534 /nfs/dbraw/zinc/97/05/34/570970534.db2.gz PQAADVHRLKJNJT-XTXLOEGASA-N 0 0 379.504 3.252 50 0 GGAARN COc1ccc(CNC(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 ZINC000002148703 570972046 /nfs/dbraw/zinc/97/20/46/570972046.db2.gz MMQILZOFJKCDCJ-UHFFFAOYSA-N 0 0 393.439 3.294 50 0 biogenic GGAARN CC(C)c1nn(CC(=O)Nc2ccccc2)c(=O)c2c1cnn2-c1ccccc1 ZINC000012228878 570972198 /nfs/dbraw/zinc/97/21/98/570972198.db2.gz ZJLBQDRHCXXEBB-UHFFFAOYSA-N 0 0 387.443 3.344 50 0 GGAARN COC(=O)c1sccc1NC(=S)N1CCN(c2cccc(OC)c2)CC1 ZINC000004767804 570972503 /nfs/dbraw/zinc/97/25/03/570972503.db2.gz IQXPCJNCRZBRNG-UHFFFAOYSA-N 0 0 391.518 3.062 50 0 GGAARN COc1cccc(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)c1 ZINC000002156574 570973602 /nfs/dbraw/zinc/97/36/02/570973602.db2.gz TUUKXUDKUWFMIC-UHFFFAOYSA-N 0 0 379.416 3.236 50 0 biogenic GGAARN COC(=O)[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(C)C ZINC000211404356 570973757 /nfs/dbraw/zinc/97/37/57/570973757.db2.gz KVGKLHUQHTVYAS-GOSISDBHSA-N 0 0 399.443 3.321 50 0 GGAARN Cc1cc(O[C@H]2CCN(C(=O)COc3ccc(Cl)cc3Cl)C2)nc(C)n1 ZINC000585147341 570977576 /nfs/dbraw/zinc/97/75/76/570977576.db2.gz IEZDZHVAFCULQH-AWEZNQCLSA-N 0 0 396.274 3.459 50 0 GGAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc(-n2nnnc2C)cc1)c1nc2ccccc2[nH]1 ZINC000252508034 570978833 /nfs/dbraw/zinc/97/88/33/570978833.db2.gz XAVNPSXIJUFGQZ-BFUOFWGJSA-N 0 0 389.463 3.364 50 0 GGAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O ZINC000044840013 570978924 /nfs/dbraw/zinc/97/89/24/570978924.db2.gz SGMWBNTZXUWKDR-MRXNPFEDSA-N 0 0 383.492 3.141 50 0 GGAARN CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCCc3ccccc32)c1=O ZINC000044839901 570979046 /nfs/dbraw/zinc/97/90/46/570979046.db2.gz DNMATVWFZRDIRC-INIZCTEOSA-N 0 0 391.471 3.114 50 0 GGAARN CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2C)c1=O ZINC000044840729 570979493 /nfs/dbraw/zinc/97/94/93/570979493.db2.gz FCIIJEGNINUCBU-CQSZACIVSA-N 0 0 383.423 3.220 50 0 GGAARN CCc1cccc(NC(=O)Cn2c3ccccc3c(=O)n([C@@H](C)CC)c2=O)c1 ZINC000044840266 570979610 /nfs/dbraw/zinc/97/96/10/570979610.db2.gz NBQUTJOEXSJDHE-HNNXBMFYSA-N 0 0 379.460 3.335 50 0 GGAARN Cc1cccnc1NC(=O)CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000044890821 570980265 /nfs/dbraw/zinc/98/02/65/570980265.db2.gz YDMLQEHBFQNRQB-UHFFFAOYSA-N 0 0 386.883 3.111 50 0 GGAARN COc1cccc(-c2ccc(=O)n(CC(=O)N[C@H](C)CCc3ccccc3)n2)c1 ZINC000044890740 570980364 /nfs/dbraw/zinc/98/03/64/570980364.db2.gz UUGPEIDOXRSIHV-QGZVFWFLSA-N 0 0 391.471 3.056 50 0 GGAARN O=C(COc1coc(CN2CCCCC2)cc1=O)Nc1ccccc1Cl ZINC000044891561 570980704 /nfs/dbraw/zinc/98/07/04/570980704.db2.gz VNNPANSJTWTJGC-UHFFFAOYSA-N 0 0 376.840 3.297 50 0 GGAARN CSc1ccc(-c2ccc(=O)n(CC(=O)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000044893761 570980995 /nfs/dbraw/zinc/98/09/95/570980995.db2.gz PQIACSIOUXEEBZ-UHFFFAOYSA-N 0 0 394.452 3.286 50 0 GGAARN Cc1cc(C)n([C@@H](CNS(=O)(=O)c2ccc(F)c(Cl)c2)c2ccco2)n1 ZINC000585148169 570981301 /nfs/dbraw/zinc/98/13/01/570981301.db2.gz URNJWSUOVQHGPJ-INIZCTEOSA-N 0 0 397.859 3.453 50 0 GGAARN Cc1c(OCC(=O)NCCc2c[nH]c3ccccc23)c(=O)ccn1CCC(C)C ZINC000524732729 570981379 /nfs/dbraw/zinc/98/13/79/570981379.db2.gz XNBGDTHGXUHJGT-UHFFFAOYSA-N 0 0 395.503 3.422 50 0 GGAARN COc1ccccc1S(=O)(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1 ZINC000585148099 570981439 /nfs/dbraw/zinc/98/14/39/570981439.db2.gz JBTGMJGFHDLRPO-KRWDZBQOSA-N 0 0 389.498 3.436 50 0 GGAARN CC(=O)Nc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2CCCC2)c1 ZINC000044901932 570981903 /nfs/dbraw/zinc/98/19/03/570981903.db2.gz FJPMDJJMYRXYGT-FQEVSTJZSA-N 0 0 394.475 3.000 50 0 GGAARN O=C(Cn1nc(-c2ccccc2F)ccc1=O)c1ccc2c(c1)OCCCO2 ZINC000044903801 570982222 /nfs/dbraw/zinc/98/22/22/570982222.db2.gz BWPMRQQHSUYLCV-UHFFFAOYSA-N 0 0 380.375 3.094 50 0 GGAARN O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccc(F)c(Cl)c1 ZINC000044903080 570982416 /nfs/dbraw/zinc/98/24/16/570982416.db2.gz NCDWNUORNNKCRQ-UHFFFAOYSA-N 0 0 375.762 3.481 50 0 GGAARN O=S(=O)(Cc1cc(F)ccc1F)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 ZINC000585148921 570982567 /nfs/dbraw/zinc/98/25/67/570982567.db2.gz KRJFDLVEWZLFPX-OAHLLOKOSA-N 0 0 379.428 3.219 50 0 GGAARN O=C(Nc1ccc(O)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000016622955 570983042 /nfs/dbraw/zinc/98/30/42/570983042.db2.gz SGDLMDXMRCBABZ-UHFFFAOYSA-N 0 0 394.880 3.085 50 0 GGAARN O=C(Nc1cc(F)c(F)c(F)c1)c1c2c(sc1-n1cnnn1)CCCC2 ZINC000044918056 570983219 /nfs/dbraw/zinc/98/32/19/570983219.db2.gz HONTVFCJUIPBOD-UHFFFAOYSA-N 0 0 379.367 3.272 50 0 GGAARN O=C(NCCn1nc2c(cc1=O)CCCC2)c1ccccc1Nc1ccccc1 ZINC000585150016 570983453 /nfs/dbraw/zinc/98/34/53/570983453.db2.gz NMZCJXVVSPZPKG-UHFFFAOYSA-N 0 0 388.471 3.296 50 0 GGAARN Cn1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2Cl)C3=O)cn1 ZINC000044920530 570983470 /nfs/dbraw/zinc/98/34/70/570983470.db2.gz FGEYJAVODJIKRA-UHFFFAOYSA-N 0 0 394.818 3.122 50 0 GGAARN COc1ccc(CNC(=O)c2ccccc2-n2cnc3ccccc3c2=O)cc1 ZINC000044920603 570983475 /nfs/dbraw/zinc/98/34/75/570983475.db2.gz LBQFZSARPCRWPV-UHFFFAOYSA-N 0 0 385.423 3.324 50 0 GGAARN COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCCC2=CCCCC2)n1 ZINC000044922249 570984140 /nfs/dbraw/zinc/98/41/40/570984140.db2.gz HAIFDDHQTRCRHA-UHFFFAOYSA-N 0 0 385.439 3.065 50 0 GGAARN C[C@@]12CCC(=O)N1c1cc(F)c(F)cc1-c1nc(=O)c(-c3ccccc3)nn12 ZINC000585152544 570985402 /nfs/dbraw/zinc/98/54/02/570985402.db2.gz ZKWJXORYBQLRJU-HXUWFJFHSA-N 0 0 380.354 3.064 50 0 GGAARN Cc1nc(CCN(C)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)no1 ZINC000585152399 570985578 /nfs/dbraw/zinc/98/55/78/570985578.db2.gz ZNYCNMGKEOHWKU-UHFFFAOYSA-N 0 0 384.672 3.201 50 0 GGAARN Cc1ccccc1C(=O)N1CCC[C@@H](Cc2n[nH]c(=O)n2-c2ccccc2F)C1 ZINC000252527984 570988364 /nfs/dbraw/zinc/98/83/64/570988364.db2.gz DXDBEYFBFVUKCH-INIZCTEOSA-N 0 0 394.450 3.103 50 0 GGAARN CC(C)[C@@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2[nH]1 ZINC000045188253 570988374 /nfs/dbraw/zinc/98/83/74/570988374.db2.gz XEDLNTQBUCHBJT-CRAIPNDOSA-N 0 0 378.480 3.083 50 0 GGAARN CC[C@H](C)[C@@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2[nH]1 ZINC000252527839 570988483 /nfs/dbraw/zinc/98/84/83/570988483.db2.gz DMDAJORIBDDOOG-WMLDXEAASA-N 0 0 381.484 3.112 50 0 GGAARN Cc1ccccc1NC(=O)C[C@H]1SC(=O)N(CC(=O)c2ccccc2)C1=O ZINC000004785202 570988985 /nfs/dbraw/zinc/98/89/85/570988985.db2.gz UGXOJTMXHKOZAN-QGZVFWFLSA-N 0 0 382.441 3.271 50 0 GGAARN O=C(COC(=O)c1ccc(F)c(Cl)c1)N1CCN(c2ccccc2F)CC1 ZINC000051354059 570989217 /nfs/dbraw/zinc/98/92/17/570989217.db2.gz KJGBNFRJQMDTEN-UHFFFAOYSA-N 0 0 394.805 3.124 50 0 GGAARN CCOC(=O)c1c2cc(O)ccc2oc1CN1CCC(C(=O)OCC)CC1 ZINC000004786617 570990439 /nfs/dbraw/zinc/99/04/39/570990439.db2.gz UACPSBJFQHKKGU-UHFFFAOYSA-N 0 0 375.421 3.090 50 0 GGAARN CC(C)Cn1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2ccccc2c1=O ZINC000212519137 570992862 /nfs/dbraw/zinc/99/28/62/570992862.db2.gz SOQMFSCITHGQEK-HXOBKFHXSA-N 0 0 382.504 3.425 50 0 biogenic GGAARN O=C(NC1CCCCCC1)c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000004793116 570992989 /nfs/dbraw/zinc/99/29/89/570992989.db2.gz PGPVVDBMZREYAS-UHFFFAOYSA-N 0 0 377.444 3.132 50 0 GGAARN CCc1nnc2sc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)nn12 ZINC000016650915 570994299 /nfs/dbraw/zinc/99/42/99/570994299.db2.gz XJSIMEACPICQFL-UHFFFAOYSA-N 0 0 385.474 3.216 50 0 GGAARN CCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 ZINC000002199435 570997348 /nfs/dbraw/zinc/99/73/48/570997348.db2.gz IBEVPISXJOLYGF-PASDCYSWSA-N 0 0 379.815 3.109 50 0 GGAARN COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC000007657276 571012573 /nfs/dbraw/zinc/01/25/73/571012573.db2.gz RQIWYQQXJJCYJG-OAHLLOKOSA-N 0 0 386.835 3.114 50 0 GGAARN Cc1ocnc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000091596102 571017323 /nfs/dbraw/zinc/01/73/23/571017323.db2.gz CCYLVFXRTLIIMO-QFIPXVFZSA-N 0 0 381.476 3.071 50 0 GGAARN COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1 ZINC000046086829 571022926 /nfs/dbraw/zinc/02/29/26/571022926.db2.gz DYEDVNKBLGPVLW-UHFFFAOYSA-N 0 0 382.372 3.398 50 0 GGAARN CCn1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)c(=O)c2ccc(C)nc21 ZINC000004813555 571031618 /nfs/dbraw/zinc/03/16/18/571031618.db2.gz UEYSGYODZXIAGB-UHFFFAOYSA-N 0 0 384.819 3.418 50 0 GGAARN COc1ccc(-c2noc(CNC(=O)COc3cc(C)cc(C)c3C)n2)cc1 ZINC000007759681 571032159 /nfs/dbraw/zinc/03/21/59/571032159.db2.gz ZQNOCWRJDRGQNA-UHFFFAOYSA-N 0 0 381.432 3.366 50 0 GGAARN CC[C@H](C(=O)OCC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccccc1 ZINC000011412145 571034360 /nfs/dbraw/zinc/03/43/60/571034360.db2.gz NYMDYAGHAXCENA-INIZCTEOSA-N 0 0 387.432 3.388 50 0 GGAARN COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1O[C@H](C)c1ccccc1 ZINC000005050639 571046112 /nfs/dbraw/zinc/04/61/12/571046112.db2.gz ZLHASIDSAFDUTM-CQSZACIVSA-N 0 0 394.427 3.269 50 0 GGAARN COc1ccc(-c2nnc(SCC(=O)Nc3nc(C)c(C)s3)n2C)cc1 ZINC000004814712 571047350 /nfs/dbraw/zinc/04/73/50/571047350.db2.gz WKKUJDKJQQSLSZ-UHFFFAOYSA-N 0 0 389.506 3.295 50 0 GGAARN 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/nfs/dbraw/zinc/32/71/63/1398327163.db2.gz NRZZMIPVZKXSIL-HHHXNRCGSA-N 0 0 379.485 3.288 50 0 GGAARN CCOC(=O)[C@@](Cl)(NC(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000003138618 1398327433 /nfs/dbraw/zinc/32/74/33/1398327433.db2.gz BPKQIAFJHQFQMS-LLVKDONJSA-N 0 0 377.668 3.496 50 0 GGAARN CC(=O)OC[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)OC(C)=O ZINC000003154704 1398327506 /nfs/dbraw/zinc/32/75/06/1398327506.db2.gz GRIIREDMHNDOJM-MRXNPFEDSA-N 0 0 397.427 3.020 50 0 GGAARN COc1cc(/C=C/C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000003286264 1398332012 /nfs/dbraw/zinc/33/20/12/1398332012.db2.gz ITLVAKHTOVQVSL-NKSUMMKUSA-N 0 0 399.443 3.146 50 0 GGAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(F)c2)cc(OC)c1OC ZINC000003415154 1398344550 /nfs/dbraw/zinc/34/45/50/1398344550.db2.gz AWMFYSANBCOIMO-BQYQJAHWSA-N 0 0 389.379 3.047 50 0 GGAARN O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1cccc(C(F)(F)F)c1 ZINC000003497664 1398357237 /nfs/dbraw/zinc/35/72/37/1398357237.db2.gz KAQHXCSVWVFQGO-HNNXBMFYSA-N 0 0 381.306 3.027 50 0 GGAARN COc1ccccc1CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000003532863 1398364539 /nfs/dbraw/zinc/36/45/39/1398364539.db2.gz XMXYOUXAJYVGOM-UHFFFAOYSA-N 0 0 377.444 3.062 50 0 biogenic GGAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccncc1)OC(C)(C)CC3 ZINC000004000481 1398375908 /nfs/dbraw/zinc/37/59/08/1398375908.db2.gz KRCCSBSSXIYINB-UHFFFAOYSA-N 0 0 392.455 3.459 50 0 biogenic GGAARN CSCCC[C@@H]1NC(=O)N(c2ccc3c(c2)O[C@H](c2ccncc2)N3)C1=O ZINC000004000471 1398375947 /nfs/dbraw/zinc/37/59/47/1398375947.db2.gz VXGFERCTVPQXGZ-DOTOQJQBSA-N 0 0 384.461 3.153 50 0 biogenic GGAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)NC(C)(C)C)cc1 ZINC000003866602 1398376085 /nfs/dbraw/zinc/37/60/85/1398376085.db2.gz USLVTSPSAHHMBD-INIZCTEOSA-N 0 0 381.542 3.026 50 0 GGAARN COc1cccc(OC)c1C(=O)NC(=S)N1CCCC[C@@H]1c1cccnc1 ZINC000003999751 1398376200 /nfs/dbraw/zinc/37/62/00/1398376200.db2.gz YUCKYAMVMGWKSX-OAHLLOKOSA-N 0 0 385.489 3.341 50 0 biogenic GGAARN COc1ccc(CNC(=O)O[C@@H]2CCN3Cc4ccccc4N=C23)cc1OC ZINC000004028840 1398376506 /nfs/dbraw/zinc/37/65/06/1398376506.db2.gz QKCPNTDWGNGXQL-GOSISDBHSA-N 0 0 381.432 3.248 50 0 biogenic GGAARN Cc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(Cl)c3C)c2=O)cc1C ZINC000004033817 1398376542 /nfs/dbraw/zinc/37/65/42/1398376542.db2.gz BERDAZBSWSOYBZ-UHFFFAOYSA-N 0 0 383.835 3.357 50 0 GGAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004023202 1398377181 /nfs/dbraw/zinc/37/71/81/1398377181.db2.gz SDSTWQKFZBIDEK-JAZTXMKBSA-N 0 0 390.520 3.462 50 0 biogenic GGAARN NC(=O)CSc1cn(CCNC(=O)c2ccc(Cl)cc2)c2ccccc12 ZINC000004061022 1398377397 /nfs/dbraw/zinc/37/73/97/1398377397.db2.gz IZFSMMNSWQNNSK-UHFFFAOYSA-N 0 0 387.892 3.302 50 0 GGAARN O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000004052098 1398377531 /nfs/dbraw/zinc/37/75/31/1398377531.db2.gz XNSWELYYKGZJCC-UHFFFAOYSA-N 0 0 383.879 3.429 50 0 GGAARN CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000004057566 1398377900 /nfs/dbraw/zinc/37/79/00/1398377900.db2.gz 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COC(=O)c1ccc(CSc2ncnc3c2nnn3-c2ccc(F)cc2)o1 ZINC000004076206 1398378557 /nfs/dbraw/zinc/37/85/57/1398378557.db2.gz REBWDHWNBQUKTL-UHFFFAOYSA-N 0 0 385.380 3.022 50 0 GGAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)Nc3ccc(F)cc3)CS[C@@H]21 ZINC000004082040 1398378605 /nfs/dbraw/zinc/37/86/05/1398378605.db2.gz ZOWJGEPWIJTHIT-DJJJIMSYSA-N 0 0 388.420 3.051 50 0 biogenic GGAARN COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)N[C@H](C)c3ccccc3)CS[C@@H]21 ZINC000004081266 1398378689 /nfs/dbraw/zinc/37/86/89/1398378689.db2.gz AZLMHLJKTYSGDV-RKFVTTHHSA-N 0 0 398.484 3.151 50 0 biogenic GGAARN C[C@@]12c3[nH]c4ccccc4c3[C@H](c3ccccc3Cl)CN1C(=O)CNC2=O ZINC000004083127 1398378704 /nfs/dbraw/zinc/37/87/04/1398378704.db2.gz BGUNXXDBZWTCMZ-QKKBWIMNSA-N 0 0 379.847 3.140 50 0 biogenic GGAARN CCN1CCc2c(sc(NC(=O)c3cccc(C(F)(F)F)c3)c2C(N)=O)C1 ZINC000004087132 1398379068 /nfs/dbraw/zinc/37/90/68/1398379068.db2.gz FHBQBZVEVOFTDB-UHFFFAOYSA-N 0 0 397.422 3.496 50 0 GGAARN CC(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)cc1 ZINC000004087121 1398379130 /nfs/dbraw/zinc/37/91/30/1398379130.db2.gz OVYHIBQZHZBJJR-UHFFFAOYSA-N 0 0 385.489 3.068 50 0 GGAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C ZINC000004083976 1398379413 /nfs/dbraw/zinc/37/94/13/1398379413.db2.gz SBUSWJGDMXBNFJ-GACAOOTBSA-N 0 0 384.472 3.078 50 0 biogenic GGAARN COCCOC(=O)c1oc2c(c1C)C(=O)C[C@@H](c1ccc(OC)cc1OC)C2 ZINC000004086239 1398379507 /nfs/dbraw/zinc/37/95/07/1398379507.db2.gz AAZYKVKMGYSLSS-CYBMUJFWSA-N 0 0 388.416 3.321 50 0 biogenic GGAARN O=C(c1coc2ccccc2c1=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000004088307 1398379837 /nfs/dbraw/zinc/37/98/37/1398379837.db2.gz FSGYDFJZWOLOBI-UHFFFAOYSA-N 0 0 391.452 3.365 50 0 GGAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cnc2n(c1=O)CCS2 ZINC000004089025 1398379846 /nfs/dbraw/zinc/37/98/46/1398379846.db2.gz LKSCONJSXPJKIT-UHFFFAOYSA-N 0 0 379.441 3.180 50 0 GGAARN NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc4c(c3)CCCC4)sc2c1 ZINC000004088326 1398379908 /nfs/dbraw/zinc/37/99/08/1398379908.db2.gz BHBUYDSJNWDEQR-UHFFFAOYSA-N 0 0 387.486 3.075 50 0 GGAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)[C@@H]1COc2ccccc2O1 ZINC000004088513 1398380081 /nfs/dbraw/zinc/38/00/81/1398380081.db2.gz CUHOLZBVSBCXCB-KRWDZBQOSA-N 0 0 382.397 3.317 50 0 aggregator GGAARN COc1ccc2c(C)c(CC(=O)NCCCc3ccccc3)c(=O)oc2c1OC ZINC000004089115 1398380290 /nfs/dbraw/zinc/38/02/90/1398380290.db2.gz XMKWHLTURVFTQM-UHFFFAOYSA-N 0 0 395.455 3.410 50 0 biogenic GGAARN COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)C[S@@](=O)C3)c1 ZINC000004106117 1398380611 /nfs/dbraw/zinc/38/06/11/1398380611.db2.gz KSCKTVLPXAVXJS-HHHXNRCGSA-N 0 0 381.457 3.204 50 0 GGAARN COc1ccccc1C(=O)Nc1c2c(nn1-c1ccccc1C)C[S@@](=O)C2 ZINC000004106113 1398380637 /nfs/dbraw/zinc/38/06/37/1398380637.db2.gz WJPJHNRTQRNTHC-HHHXNRCGSA-N 0 0 381.457 3.204 50 0 GGAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@@](=O)C3)cc1 ZINC000004106148 1398380685 /nfs/dbraw/zinc/38/06/85/1398380685.db2.gz RVPJOUDIVFIFBK-MUUNZHRXSA-N 0 0 399.447 3.425 50 0 GGAARN CCCC(=O)Nc1scc2c1c(=O)n(-c1ccccc1)nc2C(=O)OCC ZINC000004121238 1398381051 /nfs/dbraw/zinc/38/10/51/1398381051.db2.gz SXTXFWTUHOALTO-UHFFFAOYSA-N 0 0 385.445 3.363 50 0 GGAARN O=c1c2nnn(-c3ccc(F)cc3)c2ncn1Cc1ccc(Cl)c(Cl)c1 ZINC000004139890 1398381372 /nfs/dbraw/zinc/38/13/72/1398381372.db2.gz WLULFEYCEUJIOR-UHFFFAOYSA-N 0 0 390.205 3.471 50 0 GGAARN COc1ccc(-c2nnc3ccc(SCC(=O)N4CCC(C)CC4)nn32)cc1 ZINC000004164909 1398381402 /nfs/dbraw/zinc/38/14/02/1398381402.db2.gz BUHCHAVAOWEBGH-UHFFFAOYSA-N 0 0 397.504 3.151 50 0 GGAARN O=C(CSc1ccc2nnc(-c3cccc(F)c3)n2n1)Nc1nccs1 ZINC000004164594 1398381818 /nfs/dbraw/zinc/38/18/18/1398381818.db2.gz FLQJADWNVMZZHA-UHFFFAOYSA-N 0 0 386.437 3.118 50 0 GGAARN Cn1c(SCC(=O)NCCc2ccccc2)nnc1-c1c[nH]c2ccccc21 ZINC000004138432 1398381908 /nfs/dbraw/zinc/38/19/08/1398381908.db2.gz RIMFJEZUJPLGIR-UHFFFAOYSA-N 0 0 391.500 3.414 50 0 GGAARN Cn1c(=O)c2c(SCc3ccccc3)nc(-c3cccs3)nc2n(C)c1=O ZINC000004139185 1398381922 /nfs/dbraw/zinc/38/19/22/1398381922.db2.gz RYWUPOWGPGJELT-UHFFFAOYSA-N 0 0 396.497 3.048 50 0 GGAARN COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)c(OC)c1 ZINC000004180789 1398382251 /nfs/dbraw/zinc/38/22/51/1398382251.db2.gz XUFHJLCAESVERQ-IBGZPJMESA-N 0 0 391.431 3.223 50 0 GGAARN CCCOc1cccc(C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000004182851 1398382598 /nfs/dbraw/zinc/38/25/98/1398382598.db2.gz MANMWNRNKXZAOP-LJQANCHMSA-N 0 0 387.501 3.305 50 0 GGAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2nc(CCCO)nc2N1 ZINC000004180817 1398382621 /nfs/dbraw/zinc/38/26/21/1398382621.db2.gz ZLZIDBKKLRHYEW-FQEVSTJZSA-N 0 0 389.459 3.131 50 0 GGAARN CCN1CCc2c(sc(NC(=O)c3ccc(C(C)=O)cc3)c2C(=O)OC)C1 ZINC000004223510 1398383884 /nfs/dbraw/zinc/38/38/84/1398383884.db2.gz REKSOVIIACKNHV-UHFFFAOYSA-N 0 0 386.473 3.368 50 0 GGAARN O=C(CCc1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2 ZINC000004224603 1398383896 /nfs/dbraw/zinc/38/38/96/1398383896.db2.gz PSIZSXVOEMYVJJ-MHZLTWQESA-N 0 0 383.448 3.345 50 0 GGAARN COc1cccc(NC(=O)CSc2nccn2Cc2ccc3c(c2)OCO3)c1 ZINC000004248832 1398385967 /nfs/dbraw/zinc/38/59/67/1398385967.db2.gz FPKYCZNBGINMMX-UHFFFAOYSA-N 0 0 397.456 3.400 50 0 GGAARN COc1ccccc1-n1ccnc1SCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000004248664 1398386010 /nfs/dbraw/zinc/38/60/10/1398386010.db2.gz FBHGEABIJBEVHS-UHFFFAOYSA-N 0 0 397.456 3.383 50 0 GGAARN CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n21 ZINC000004250318 1398386374 /nfs/dbraw/zinc/38/63/74/1398386374.db2.gz YEJGHDYRFMLSSL-UHFFFAOYSA-N 0 0 391.884 3.063 50 0 GGAARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)c(OC)c1 ZINC000004262955 1398386406 /nfs/dbraw/zinc/38/64/06/1398386406.db2.gz FEDWEAXBQFQURL-IBGZPJMESA-N 0 0 381.432 3.279 50 0 GGAARN Cc1ccc(NC(=O)CSc2nnc3[nH]c(=O)cc(-c4ccccc4)n32)cc1 ZINC000004250036 1398386644 /nfs/dbraw/zinc/38/66/44/1398386644.db2.gz KCPSQJQOXAFJJG-UHFFFAOYSA-N 0 0 391.456 3.124 50 0 GGAARN Cc1cccc(C2=NN3C(=NC(C)=C(C(N)=O)[C@@H]3c3ccc(Cl)cc3)N2)c1 ZINC000004279758 1398389104 /nfs/dbraw/zinc/38/91/04/1398389104.db2.gz WZFUCNUOSIGLSK-KRWDZBQOSA-N 0 0 379.851 3.085 50 0 GGAARN CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1Cl ZINC000004314891 1398391926 /nfs/dbraw/zinc/39/19/26/1398391926.db2.gz WCLFEMDYSGQWMY-CYBMUJFWSA-N 0 0 395.242 3.248 50 0 GGAARN CCc1ccc(NC(=O)C(=O)NCCSc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000004315878 1398392251 /nfs/dbraw/zinc/39/22/51/1398392251.db2.gz GEMHFTXYOOKBAR-UHFFFAOYSA-N 0 0 394.500 3.486 50 0 GGAARN CCCCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(CCCCC)c(=O)n1C ZINC000004316669 1398392305 /nfs/dbraw/zinc/39/23/05/1398392305.db2.gz DWAFVZGNVLVGJC-HNNXBMFYSA-N 0 0 388.516 3.034 50 0 GGAARN CCc1ccc(NC(=O)CCCc2nnc3n2c2ccsc2c(=O)n3C)cc1 ZINC000004315767 1398392338 /nfs/dbraw/zinc/39/23/38/1398392338.db2.gz YQKYQMFZZUPDSS-UHFFFAOYSA-N 0 0 395.488 3.167 50 0 GGAARN O=C(NCCSc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccc(F)cc1 ZINC000004315869 1398392697 /nfs/dbraw/zinc/39/26/97/1398392697.db2.gz XZJZTRZQQWWQHJ-UHFFFAOYSA-N 0 0 384.436 3.063 50 0 GGAARN COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3o2)CC1 ZINC000004758849 1398402368 /nfs/dbraw/zinc/40/23/68/1398402368.db2.gz ZEATUOPVULLYNA-UHFFFAOYSA-N 0 0 383.473 3.277 50 0 GGAARN O=C(CCC(=O)[C@@H]1CC(c2ccccc2)=NO1)[C@@H]1CC(c2ccccc2)=NO1 ZINC000004844294 1398405270 /nfs/dbraw/zinc/40/52/70/1398405270.db2.gz PFTCWIVOYPOACY-VXKWHMMOSA-N 0 0 376.412 3.291 50 0 GGAARN COCCCn1c(C(=O)N2CCCC[C@@H]2C)cc2c1nc1c(C)cccn1c2=O ZINC000005204171 1398420809 /nfs/dbraw/zinc/42/08/09/1398420809.db2.gz GVJNKRCEBVQHLP-INIZCTEOSA-N 0 0 396.491 3.009 50 0 GGAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C ZINC000005378714 1398439208 /nfs/dbraw/zinc/43/92/08/1398439208.db2.gz SBUSWJGDMXBNFJ-ITWTXWRJSA-N 0 0 384.472 3.078 50 0 GGAARN CCOC(=O)[C@@H]1[C@H](C)N=C2SCC(=O)N2[C@@H]1c1cccc(Br)c1 ZINC000005473354 1398448498 /nfs/dbraw/zinc/44/84/98/1398448498.db2.gz KOQBSUWXFIYNDJ-CUOATXAZSA-N 0 0 397.294 3.003 50 0 GGAARN O=C(NN1C(=O)CS[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000005772775 1398475681 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COc1ccc(OC)c(N2C[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)CC2=O)c1 ZINC000008268789 1398818547 /nfs/dbraw/zinc/81/85/47/1398818547.db2.gz CHQYDNHGVPWQDC-WMZOPIPTSA-N 0 0 396.487 3.194 50 0 GGAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000008301048 1398821403 /nfs/dbraw/zinc/82/14/03/1398821403.db2.gz LVLAFLSCAVOCDM-GXRSIYKFSA-N 0 0 386.451 3.408 50 0 GGAARN COc1ccc(/C=C/C(=O)NCCCNC(=O)c2cc3ccccc3[nH]2)cc1 ZINC000008404495 1398828871 /nfs/dbraw/zinc/82/88/71/1398828871.db2.gz JLCAMIMWEDRSIO-FMIVXFBMSA-N 0 0 377.444 3.126 50 0 GGAARN Cc1nc2cc3c(cc2n1CC(=O)N[C@@H]1CCCc2ccccc21)OCCO3 ZINC000008416736 1398830228 /nfs/dbraw/zinc/83/02/28/1398830228.db2.gz SOXKMNPOPWTCKE-QGZVFWFLSA-N 0 0 377.444 3.310 50 0 GGAARN Cc1nc2cc3c(cc2n1CC(=O)N[C@H]1CCCc2ccccc21)OCCO3 ZINC000008416744 1398830258 /nfs/dbraw/zinc/83/02/58/1398830258.db2.gz SOXKMNPOPWTCKE-KRWDZBQOSA-N 0 0 377.444 3.310 50 0 GGAARN C[C@@H](O)CNc1nc2ccccc2n1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000008424895 1398831261 /nfs/dbraw/zinc/83/12/61/1398831261.db2.gz XHXBLNDZNUIVTN-CRAIPNDOSA-N 0 0 378.476 3.023 50 0 GGAARN COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(=O)N1CCCC1 ZINC000008560375 1398840116 /nfs/dbraw/zinc/84/01/16/1398840116.db2.gz OJYSXQYGLOKWQZ-UHFFFAOYSA-N 0 0 392.521 3.100 50 0 GGAARN C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 ZINC000008587398 1398841211 /nfs/dbraw/zinc/84/12/11/1398841211.db2.gz YMPNRXGFYFWMNC-KRWDZBQOSA-N 0 0 386.517 3.106 50 0 GGAARN COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)[C@H]2CCCO2)cc1 ZINC000008578880 1398841331 /nfs/dbraw/zinc/84/13/31/1398841331.db2.gz AGTCUOGGOYCSOT-HXUWFJFHSA-N 0 0 378.428 3.249 50 0 GGAARN COc1cccc(-c2noc([C@H]3CC(=O)N(c4ccc(F)cc4)C3)n2)c1OC ZINC000008605056 1398841569 /nfs/dbraw/zinc/84/15/69/1398841569.db2.gz SYKFGEQMLIASNK-LBPRGKRZSA-N 0 0 383.379 3.413 50 0 GGAARN COc1ccc(CNC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)cc1OC ZINC000008599636 1398841609 /nfs/dbraw/zinc/84/16/09/1398841609.db2.gz XRRNHHSODYWBPB-UHFFFAOYSA-N 0 0 394.475 3.113 50 0 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/nfs/dbraw/zinc/84/28/61/1398842861.db2.gz VMAVVQYWLMTUOY-UHFFFAOYSA-N 0 0 384.501 3.437 50 0 GGAARN Cc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)c3ccncc3)cc2c1 ZINC000008673142 1398843582 /nfs/dbraw/zinc/84/35/82/1398843582.db2.gz DCWSVHWWKLFIPF-LJQANCHMSA-N 0 0 377.444 3.053 50 0 GGAARN O=C1C2=C(CN1CCCc1ccccc1)NC(=O)N[C@@H]2c1ccc(Cl)cc1 ZINC000008755390 1398845808 /nfs/dbraw/zinc/84/58/08/1398845808.db2.gz ULLQAPSPHSLQKZ-LJQANCHMSA-N 0 0 381.863 3.423 50 0 GGAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1NC(=O)c1ccccc1C ZINC000008770403 1398846194 /nfs/dbraw/zinc/84/61/94/1398846194.db2.gz WQMHYABRNRJUBO-UHFFFAOYSA-N 0 0 395.390 3.109 50 0 GGAARN Cc1oc2cc(OCC(=O)N3CCC[C@H]3CO)ccc2c(=O)c1-c1ccccc1 ZINC000008765164 1398846271 /nfs/dbraw/zinc/84/62/71/1398846271.db2.gz XWQGRJXKNVHATI-KRWDZBQOSA-N 0 0 393.439 3.131 50 0 biogenic GGAARN COc1ccc2c(C)c(CCC(=O)N(C)CCc3ccccn3)c(=O)oc2c1 ZINC000008792590 1398846631 /nfs/dbraw/zinc/84/66/31/1398846631.db2.gz OTEGXXKQQHXLTA-UHFFFAOYSA-N 0 0 380.444 3.139 50 0 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Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2)CS(=O)(=O)C3)c(C)c1 ZINC000008882615 1398848065 /nfs/dbraw/zinc/84/80/65/1398848065.db2.gz CSSNVLUMBJOZKC-UHFFFAOYSA-N 0 0 381.457 3.170 50 0 GGAARN O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)Nc1ccccc1 ZINC000008879212 1398848099 /nfs/dbraw/zinc/84/80/99/1398848099.db2.gz SQMBINLHPMUZBJ-IBGZPJMESA-N 0 0 390.443 3.254 50 0 biogenic GGAARN COCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccc(OC)c1 ZINC000008869546 1398848103 /nfs/dbraw/zinc/84/81/03/1398848103.db2.gz YYNUFNCIKXCTPA-LJQANCHMSA-N 0 0 379.412 3.302 50 0 GGAARN COc1ccc(-c2coc3cc(OC(=O)N(C)C)cc(=O)c-3c2O)cc1OC ZINC000008879580 1398848106 /nfs/dbraw/zinc/84/81/06/1398848106.db2.gz YSTPEOYYIFNEEH-UHFFFAOYSA-N 0 0 385.372 3.243 50 0 biogenic GGAARN CCOc1ccc(N2C[C@@H](CNC(=O)c3ccccc3OCC)CC2=O)cc1 ZINC000008925603 1398848861 /nfs/dbraw/zinc/84/88/61/1398848861.db2.gz OTGKUHNHNZKXFO-MRXNPFEDSA-N 0 0 382.460 3.267 50 0 GGAARN CC[C@@H](C)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)Nc1nccs1 ZINC000008914907 1398848882 /nfs/dbraw/zinc/84/88/82/1398848882.db2.gz CZCOJQWWEUKMME-IAQYHMDHSA-N 0 0 387.465 3.314 50 0 GGAARN O=C(Nc1nccs1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC000008908296 1398848901 /nfs/dbraw/zinc/84/89/01/1398848901.db2.gz JXOKRDRSXLENKC-UHFFFAOYSA-N 0 0 377.425 3.234 50 0 GGAARN COc1ccc(C(=O)N(C/C=C/c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008917410 1398848918 /nfs/dbraw/zinc/84/89/18/1398848918.db2.gz MWMJWSOLVOGFMZ-MTCRFPMVSA-N 0 0 385.485 3.038 50 0 GGAARN CCOc1cccc(C(=O)N(Cc2sccc2C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000008917192 1398848927 /nfs/dbraw/zinc/84/89/27/1398848927.db2.gz MQOIKOJXUJBNAB-INIZCTEOSA-N 0 0 393.530 3.285 50 0 GGAARN COc1ccccc1O[C@@H](C)C(=O)Nc1nonc1-c1ccc(OC)c(OC)c1 ZINC000008917563 1398848956 /nfs/dbraw/zinc/84/89/56/1398848956.db2.gz PZMBOJHKVJPQMS-LBPRGKRZSA-N 0 0 399.403 3.168 50 0 GGAARN CCOc1cccc(C(=O)N(Cc2sccc2C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000008917191 1398848967 /nfs/dbraw/zinc/84/89/67/1398848967.db2.gz MQOIKOJXUJBNAB-MRXNPFEDSA-N 0 0 393.530 3.285 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0 GGAARN CC(=O)Nc1nc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2s1 ZINC000013690755 1399081027 /nfs/dbraw/zinc/08/10/27/1399081027.db2.gz KPFNKGOBQHPLDI-UHFFFAOYSA-N 0 0 394.500 3.213 50 0 GGAARN COc1ccc2c(cc(C(=O)NCC(=O)Nc3nc4ccccc4s3)n2C)c1 ZINC000013720229 1399081855 /nfs/dbraw/zinc/08/18/55/1399081855.db2.gz JOSSZIBSPAPQHT-UHFFFAOYSA-N 0 0 394.456 3.165 50 0 GGAARN O=C1CN(Cc2ccoc2)C[C@H](OCc2ccncc2)CN1C1CCCCC1 ZINC000014537357 1399109910 /nfs/dbraw/zinc/10/99/10/1399109910.db2.gz LAKWZRJIRWIQHP-NRFANRHFSA-N 0 0 383.492 3.237 50 0 GGAARN Cc1nc2cc(N3C(=O)[C@@H]4C[C@H]3CN4Cc3ccc4c(c3)OCO4)ccc2s1 ZINC000014881383 1399124455 /nfs/dbraw/zinc/12/44/55/1399124455.db2.gz IYDPXGVTHHSTEJ-RDJZCZTQSA-N 0 0 393.468 3.323 50 0 GGAARN Cc1c(C(=O)N[C@H]2CCOC(C)(C)C2)cnn1-c1nccc(-c2cccs2)n1 ZINC000014879583 1399124458 /nfs/dbraw/zinc/12/44/58/1399124458.db2.gz PRNLTMUVFGFLQO-AWEZNQCLSA-N 0 0 397.504 3.387 50 0 GGAARN Cc1c(C(=O)N[C@@H]2CCOC(C)(C)C2)cnn1-c1nccc(-c2cccs2)n1 ZINC000014879582 1399124541 /nfs/dbraw/zinc/12/45/41/1399124541.db2.gz PRNLTMUVFGFLQO-CQSZACIVSA-N 0 0 397.504 3.387 50 0 GGAARN O=C(NCc1ccc2c(c1)OCO2)c1cc(COc2ccc(F)c(F)c2)on1 ZINC000014953260 1399128698 /nfs/dbraw/zinc/12/86/98/1399128698.db2.gz RYAYDYIRNAMUBQ-UHFFFAOYSA-N 0 0 388.326 3.191 50 0 GGAARN Cc1nc(C)c(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)nc1C ZINC000014960737 1399129658 /nfs/dbraw/zinc/12/96/58/1399129658.db2.gz ACFUXNJYYWCOCN-MRXNPFEDSA-N 0 0 392.425 3.311 50 0 GGAARN Cc1nc2cc(OCc3cc(C(=O)N4CCSCC4)no3)ccc2s1 ZINC000014967009 1399129761 /nfs/dbraw/zinc/12/97/61/1399129761.db2.gz VIDPHONWUMETDQ-UHFFFAOYSA-N 0 0 375.475 3.361 50 0 GGAARN CO[C@H](C(=O)N1CCC(=O)N(Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000014987496 1399130199 /nfs/dbraw/zinc/13/01/99/1399130199.db2.gz LNVIOHNOIJYFHK-FQEVSTJZSA-N 0 0 386.879 3.289 50 0 GGAARN Cc1c(C(=O)NC2Cc3ccccc3C2)sc2ncnc(N[C@H]3CCOC3)c12 ZINC000014993910 1399130216 /nfs/dbraw/zinc/13/02/16/1399130216.db2.gz OIVDQGCMZDCEEI-HNNXBMFYSA-N 0 0 394.500 3.098 50 0 GGAARN Cc1nn(C)cc1[C@H](C)NC(=O)CCN1Cc2cc(Cl)ccc2O[C@@H](C)C1 ZINC000014986136 1399130258 /nfs/dbraw/zinc/13/02/58/1399130258.db2.gz VOHQCJLYRYEWAJ-KBPBESRZSA-N 0 0 390.915 3.232 50 0 GGAARN O=C(/C=C/c1ccccc1Cl)N1CCC(=O)N(CCOc2ccccc2)CC1 ZINC000014997920 1399130357 /nfs/dbraw/zinc/13/03/57/1399130357.db2.gz YVDXXJGUWYPWSB-ZHACJKMWSA-N 0 0 398.890 3.493 50 0 GGAARN CC[C@@H]1CCCCN1C(=O)c1cn(C(C)C)cc(C(=O)NC(C)(C)C)c1=O ZINC000014995005 1399130362 /nfs/dbraw/zinc/13/03/62/1399130362.db2.gz XTMRGEGHLRTMEL-OAHLLOKOSA-N 0 0 375.513 3.362 50 0 GGAARN CC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2C)C1 ZINC000015002497 1399130802 /nfs/dbraw/zinc/13/08/02/1399130802.db2.gz SUMNFXKLIFPMJL-LESCRADOSA-N 0 0 378.900 3.275 50 0 GGAARN CC(=O)[C@@H](C)CC(=O)N1CCC[C@@H]2CN(C(=O)CCCc3ccccc3)CC[C@@H]21 ZINC000015002306 1399130909 /nfs/dbraw/zinc/13/09/09/1399130909.db2.gz GLUBOBQZOJQMLW-BWAGFHJFSA-N 0 0 398.547 3.464 50 0 GGAARN CN1CCN(C(=O)c2coc(COc3ccccc3)n2)[C@@H](c2ccccc2)C1 ZINC000015071676 1399135656 /nfs/dbraw/zinc/13/56/56/1399135656.db2.gz OWXHIIIWXGALRZ-HXUWFJFHSA-N 0 0 377.444 3.383 50 0 GGAARN Cc1noc(C)c1S(=O)(=O)N1CCC(CCC(=O)Nc2ccccc2)CC1 ZINC000015063100 1399135786 /nfs/dbraw/zinc/13/57/86/1399135786.db2.gz BYXNKSFAQZPJOH-UHFFFAOYSA-N 0 0 391.493 3.111 50 0 GGAARN O=C(c1cccnc1)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000015074794 1399136510 /nfs/dbraw/zinc/13/65/10/1399136510.db2.gz BVFQDWGVTGKYMZ-OAQYLSRUSA-N 0 0 385.414 3.015 50 0 GGAARN CC[C@H](C)C(=O)NC[C@H]1Cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c2O1 ZINC000015072642 1399136723 /nfs/dbraw/zinc/13/67/23/1399136723.db2.gz PDPMIXCRFLNABI-WMLDXEAASA-N 0 0 387.501 3.223 50 0 GGAARN COc1c(O)cc2oc(=O)c(Oc3ccc4ccc(=O)oc4c3)cc2c1OC ZINC000015149430 1399142924 /nfs/dbraw/zinc/14/29/24/1399142924.db2.gz UKSJYKPMAYMIRA-UHFFFAOYSA-N 0 0 382.324 3.415 50 0 biogenic GGAARN CCOC(=O)c1ccc(NC(=O)CSCC(=O)Nc2ccc(C)cc2)cc1 ZINC000015499030 1399167005 /nfs/dbraw/zinc/16/70/05/1399167005.db2.gz OVNYETYOGWTZJU-UHFFFAOYSA-N 0 0 386.473 3.482 50 0 GGAARN Cc1ccc(-n2c(C)c(-c3ccccc3)c(=O)nc2CCN2CCOCC2)cc1 ZINC000015769490 1399191555 /nfs/dbraw/zinc/19/15/55/1399191555.db2.gz JRGFAFJPFBCTMG-UHFFFAOYSA-N 0 0 389.499 3.391 50 0 GGAARN COC(=O)c1ccccc1N1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](C)N2C1=O ZINC000015969019 1399201522 /nfs/dbraw/zinc/20/15/22/1399201522.db2.gz XFIKOZWDYXMPFB-KZULUSFZSA-N 0 0 389.411 3.409 50 0 GGAARN CC1(C)CC(NC(=O)C[C@@H]2C(=O)NCCN2Cc2cccs2)CC(C)(C)C1 ZINC000055576341 1407010420 /nfs/dbraw/zinc/01/04/20/1407010420.db2.gz BBIGAWIGEVTXKJ-QGZVFWFLSA-N 0 0 391.581 3.160 50 0 GGAARN Fc1ccc2[nH]c([C@H]3CCCCN3Cc3nc(-c4cnccn4)no3)nc2c1 ZINC000019301049 1399329051 /nfs/dbraw/zinc/32/90/51/1399329051.db2.gz CFZOSKAGLWLEIA-MRXNPFEDSA-N 0 0 379.399 3.269 50 0 GGAARN Cc1ccc(-n2cc(CN3CCN(Cc4cccs4)[C@@H](CCO)C3)cn2)cc1 ZINC000019608366 1399332877 /nfs/dbraw/zinc/33/28/77/1399332877.db2.gz VCMGLKUFNBARRD-NRFANRHFSA-N 0 0 396.560 3.311 50 0 GGAARN O=C(CCn1cncn1)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000019639877 1399333352 /nfs/dbraw/zinc/33/33/52/1399333352.db2.gz RVTZNMGZGIOVDE-OAQYLSRUSA-N 0 0 388.471 3.457 50 0 GGAARN O=C1c2ccccc2C(=O)N1CCC1=CSc2nnc(C3CCCCC3)n2N1 ZINC000019772704 1399337970 /nfs/dbraw/zinc/33/79/70/1399337970.db2.gz MHRQBRCKDUKJDJ-UHFFFAOYSA-N 0 0 395.488 3.322 50 0 GGAARN Cc1cccnc1CN1CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000019744188 1399338277 /nfs/dbraw/zinc/33/82/77/1399338277.db2.gz JELXXDJSGOOSPJ-UHFFFAOYSA-N 0 0 383.883 3.411 50 0 GGAARN Cc1nc(C)n(CC(=O)N2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)n1 ZINC000019841537 1399338506 /nfs/dbraw/zinc/33/85/06/1399338506.db2.gz BBNSDHCOGZUKEF-OAHLLOKOSA-N 0 0 394.397 3.035 50 0 GGAARN Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN1CCN(Cc2ccccc2)CC1 ZINC000019793666 1399338639 /nfs/dbraw/zinc/33/86/39/1399338639.db2.gz RUJNIEFTWJFOFS-UHFFFAOYSA-N 0 0 390.531 3.220 50 0 GGAARN C[C@H](C(=O)N1CCOCC1)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000019798540 1399338872 /nfs/dbraw/zinc/33/88/72/1399338872.db2.gz PLEIDYMJHYDLJR-CQSZACIVSA-N 0 0 390.842 3.373 50 0 GGAARN CCOC(=O)c1cnn(-c2nc3ccccc3s2)c1CN(C)Cc1ccon1 ZINC000019939310 1399339352 /nfs/dbraw/zinc/33/93/52/1399339352.db2.gz NIUMMOFLEHLHKO-UHFFFAOYSA-N 0 0 397.460 3.279 50 0 GGAARN COc1c2c(cc3c1[C@H](CC(=O)CCc1ccc(O)cc1)N(C)CC3)OCO2 ZINC000020111808 1399342537 /nfs/dbraw/zinc/34/25/37/1399342537.db2.gz FDQAFLAYJZFRKU-SFHVURJKSA-N 0 0 383.444 3.251 50 0 biogenic GGAARN CC(=O)c1cc(C(=O)N2CCc3c(cnc(C)c3-c3noc(C)n3)C2)cs1 ZINC000020207460 1399343430 /nfs/dbraw/zinc/34/34/30/1399343430.db2.gz ZOOPXJCKENEEAB-UHFFFAOYSA-N 0 0 382.445 3.211 50 0 GGAARN NC(=O)c1ccc([C@@H]2CCCN2C(=O)Nc2nnc(C3CCC3)s2)s1 ZINC000020208085 1399344190 /nfs/dbraw/zinc/34/41/90/1399344190.db2.gz PJAKBSYNGQATEK-JTQLQIEISA-N 0 0 377.495 3.335 50 0 GGAARN CCc1ccc(-c2cn3c(C(=O)N4CCN(CCOC)CC4)csc3n2)cc1 ZINC000020211984 1399344411 /nfs/dbraw/zinc/34/44/11/1399344411.db2.gz SNPBUBDUCWXLQT-UHFFFAOYSA-N 0 0 398.532 3.029 50 0 GGAARN COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)Cn4ccnc4)C3)ccc2c1 ZINC000020542433 1399348608 /nfs/dbraw/zinc/34/86/08/1399348608.db2.gz SXWCRVMIFXNIFG-LJQANCHMSA-N 0 0 377.444 3.166 50 0 GGAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)cc1 ZINC000020538664 1399348621 /nfs/dbraw/zinc/34/86/21/1399348621.db2.gz IPKJIPUCJFRWPY-RDJZCZTQSA-N 0 0 388.826 3.047 50 0 GGAARN O=C(NCCc1ccccn1)c1ccc([C@@H]2CCCN2Cc2c[nH]cn2)s1 ZINC000020602030 1399350250 /nfs/dbraw/zinc/35/02/50/1399350250.db2.gz XHUWDCHDHYJCEY-KRWDZBQOSA-N 0 0 381.505 3.176 50 0 GGAARN CCNC(=O)c1ccc([C@H]2CCCN2C(=O)c2scc3c2OCCO3)s1 ZINC000020653223 1399351223 /nfs/dbraw/zinc/35/12/23/1399351223.db2.gz BVRPNHKWWFLIHM-LLVKDONJSA-N 0 0 392.502 3.308 50 0 GGAARN CN1CCCN(C(=O)c2ccc([C@H]3CCCN3Cc3ccncc3)s2)CC1 ZINC000020776605 1399352560 /nfs/dbraw/zinc/35/25/60/1399352560.db2.gz HBTYQBJYTWHVQE-GOSISDBHSA-N 0 0 384.549 3.258 50 0 GGAARN COc1c2c(cc3c1[C@H](CC(=O)c1ccc(NC(C)=O)cc1)N(C)CC3)OCO2 ZINC000020759235 1399352605 /nfs/dbraw/zinc/35/26/05/1399352605.db2.gz OKPFIZJXNUETTM-KRWDZBQOSA-N 0 0 396.443 3.184 50 0 biogenic GGAARN COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(NC(C)=O)cc1)N(C)CC3)OCO2 ZINC000020759239 1399353048 /nfs/dbraw/zinc/35/30/48/1399353048.db2.gz OKPFIZJXNUETTM-QGZVFWFLSA-N 0 0 396.443 3.184 50 0 biogenic GGAARN CCn1cnnc1CN(C)c1ccc(-c2nc(-c3ccccc3F)no2)cn1 ZINC000020781503 1399353128 /nfs/dbraw/zinc/35/31/28/1399353128.db2.gz ZHKGETZUQLQFIL-UHFFFAOYSA-N 0 0 379.399 3.186 50 0 GGAARN O=C(c1cccs1)N1CCC2(CC1)c1ccccc1[C@@H](n1ccnc1)[C@@H]2O ZINC000020865910 1399355092 /nfs/dbraw/zinc/35/50/92/1399355092.db2.gz AADSDCQAHLGKSU-MOPGFXCFSA-N 0 0 379.485 3.083 50 0 GGAARN Cc1cc(C)c(C(=O)N2CCC[C@@H]2c2ccc(C(=O)Nc3cnn(C)n3)s2)[nH]1 ZINC000020915266 1399357078 /nfs/dbraw/zinc/35/70/78/1399357078.db2.gz AJYBGDFHMVCAHI-CYBMUJFWSA-N 0 0 398.492 3.051 50 0 GGAARN O=C(COc1ccc2ccccc2c1)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000021923103 1399423438 /nfs/dbraw/zinc/42/34/38/1399423438.db2.gz DFCWRKHNOUMLKW-FQEVSTJZSA-N 0 0 396.512 3.470 50 0 GGAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C)C(=S)N21 ZINC000022018253 1399432327 /nfs/dbraw/zinc/43/23/27/1399432327.db2.gz JSSPQFURAYECJQ-VQIMIIECSA-N 0 0 377.469 3.250 50 0 GGAARN CC(C)(C)c1ccc(OC[C@H](O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000022608633 1399482025 /nfs/dbraw/zinc/48/20/25/1399482025.db2.gz DZUZPAMLJFYVFU-OAQYLSRUSA-N 0 0 396.531 3.182 50 0 GGAARN CC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000022608629 1399482142 /nfs/dbraw/zinc/48/21/42/1399482142.db2.gz DZUZPAMLJFYVFU-NRFANRHFSA-N 0 0 396.531 3.182 50 0 GGAARN C[C@@H](C1CC1)n1nccc1NC(=O)Cn1cc(-c2nc3ccccc3[nH]2)cn1 ZINC000023310938 1399549238 /nfs/dbraw/zinc/54/92/38/1399549238.db2.gz RABVLSJUUGJPJS-ZDUSSCGKSA-N 0 0 375.436 3.233 50 0 GGAARN O=C(NC(=O)N1CCC(n2cc(-c3ccccc3)nn2)CC1)c1ccccc1 ZINC000023478444 1399563394 /nfs/dbraw/zinc/56/33/94/1399563394.db2.gz XFSHAWRUOHNDJV-UHFFFAOYSA-N 0 0 375.432 3.132 50 0 GGAARN Cc1ncc(CN2CCC[C@@H]2c2ccc(C(=O)Nc3cnn(C)n3)s2)s1 ZINC000023581514 1399571862 /nfs/dbraw/zinc/57/18/62/1399571862.db2.gz 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C[C@@](O)(CNC(=O)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000077184724 1409894124 /nfs/dbraw/zinc/89/41/24/1409894124.db2.gz USYZZDBQVPGGGJ-QGZVFWFLSA-N 0 0 382.338 3.463 50 0 GGAARN COc1cccc(C(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)c1OC ZINC000077197698 1409894149 /nfs/dbraw/zinc/89/41/49/1409894149.db2.gz PVDSLZFCQNILMU-UHFFFAOYSA-N 0 0 385.342 3.125 50 0 GGAARN CCOC(=O)N=c1[nH]c2c(s1)CN(S(=O)(=O)c1cc(C)ccc1C)CC2 ZINC000077196360 1409894162 /nfs/dbraw/zinc/89/41/62/1409894162.db2.gz USTHQXIKAITNDW-UHFFFAOYSA-N 0 0 395.506 3.075 50 0 GGAARN O=C(c1nnn(-c2ccccc2Cl)c1-c1ccccn1)N1CCSCC1 ZINC000077199901 1409894182 /nfs/dbraw/zinc/89/41/82/1409894182.db2.gz QDPYSYJVYSCZHA-UHFFFAOYSA-N 0 0 385.880 3.172 50 0 GGAARN COc1ccc(C[C@](C)(O)CNS(=O)(=O)c2cccc3ccccc32)cc1 ZINC000077184828 1409894188 /nfs/dbraw/zinc/89/41/88/1409894188.db2.gz IHWQZDYFJSJYSE-NRFANRHFSA-N 0 0 385.485 3.120 50 0 GGAARN CCOC(=O)N=c1[nH]c2c(s1)CN(S(=O)(=O)C=Cc1ccccc1)CC2 ZINC000077196363 1409894217 /nfs/dbraw/zinc/89/42/17/1409894217.db2.gz TUNJXOFLRBVPHC-PKNBQFBNSA-N 0 0 393.490 3.070 50 0 GGAARN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1COCC(=O)N1Cc1ccccc1 ZINC000077197609 1409894258 /nfs/dbraw/zinc/89/42/58/1409894258.db2.gz RKTLSAJLHARDNI-INIZCTEOSA-N 0 0 378.350 3.072 50 0 GGAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)[C@H]2CC=CCC2)cc1 ZINC000077200639 1409894733 /nfs/dbraw/zinc/89/47/33/1409894733.db2.gz JVOFATIOAYOUIM-OALUTQOASA-N 0 0 390.549 3.401 50 0 GGAARN CC(C)Oc1cccc2c1c(NC(=O)c1cc(-c3ccncc3)[nH]n1)nn2C ZINC000077503634 1409896499 /nfs/dbraw/zinc/89/64/99/1409896499.db2.gz ZQWPFOTXEDSZMW-UHFFFAOYSA-N 0 0 376.420 3.398 50 0 GGAARN O=C(N[C@H](C(=O)NCCc1c[nH]c2ccccc12)c1ccccc1)c1cccnc1 ZINC000079192023 1409962365 /nfs/dbraw/zinc/96/23/65/1409962365.db2.gz LRELACOFESENLH-QFIPXVFZSA-N 0 0 398.466 3.393 50 0 biogenic GGAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000079191831 1409962683 /nfs/dbraw/zinc/96/26/83/1409962683.db2.gz LIIQUDBAPLPPBQ-LPHOPBHVSA-N 0 0 394.379 3.036 50 0 biogenic GGAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc2c(c1)OCCO2 ZINC000079192963 1409962811 /nfs/dbraw/zinc/96/28/11/1409962811.db2.gz RRGZNDGCYYCIHD-FXAWDEMLSA-N 0 0 394.379 3.020 50 0 biogenic GGAARN CCOC(=O)Cn1nc(C)c2c1NC(=O)CS[C@@H]2c1ccc(OC)cc1 ZINC000079487041 1409977939 /nfs/dbraw/zinc/97/79/39/1409977939.db2.gz HDIYESFELHHGQP-QGZVFWFLSA-N 0 0 375.450 3.187 50 0 GGAARN CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(c1cc[nH+]c3c(C)cc(C)cc13)CC2 ZINC000082109561 1410026201 /nfs/dbraw/zinc/02/62/01/1410026201.db2.gz WDYKRBXWSVEFEV-IBGZPJMESA-N 0 0 381.476 3.144 50 0 GGAARN Cn1ccnc1SCC1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 ZINC000090608190 1410066032 /nfs/dbraw/zinc/06/60/32/1410066032.db2.gz DDZLAJUHCBDSBW-UHFFFAOYSA-N 0 0 383.473 3.171 50 0 GGAARN O=S(=O)(c1ccccc1F)N1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000090678843 1410066606 /nfs/dbraw/zinc/06/66/06/1410066606.db2.gz UJQIFRCRTDCOFV-UHFFFAOYSA-N 0 0 387.436 3.001 50 0 GGAARN Cc1c(C(=O)N[C@@H]2CCCc3nc(-c4ccccc4)ncc32)cnc2ccnn21 ZINC000091952263 1410095211 /nfs/dbraw/zinc/09/52/11/1410095211.db2.gz HXWBMRYPXULAQP-LJQANCHMSA-N 0 0 384.443 3.302 50 0 GGAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000092001580 1410096940 /nfs/dbraw/zinc/09/69/40/1410096940.db2.gz JIIRAXGPAXDKJM-HXUWFJFHSA-N 0 0 380.492 3.412 50 0 GGAARN Cc1ccn2c(=O)cc(C[N@@H+]3CCC[C@H](c4ccc(C(=O)[O-])cc4)C3)nc2c1 ZINC000095354367 1410309702 /nfs/dbraw/zinc/30/97/02/1410309702.db2.gz FPMDCOXCOAKYHG-SFHVURJKSA-N 0 0 377.444 3.081 50 0 GGAARN O=C([O-])[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000095354500 1410310122 /nfs/dbraw/zinc/31/01/22/1410310122.db2.gz NBYJKXADTGTXFH-KRWDZBQOSA-N 0 0 385.291 3.454 50 0 GGAARN Cc1ccc(C)c(S(=O)(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)c1 ZINC000096340582 1410327517 /nfs/dbraw/zinc/32/75/17/1410327517.db2.gz ZZTCCALDLZIWRP-UHFFFAOYSA-N 0 0 389.399 3.274 50 0 GGAARN Cc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4n[nH]c5ccccc54)C3)sc2c1 ZINC000096345640 1410327539 /nfs/dbraw/zinc/32/75/39/1410327539.db2.gz YIRVGQSZJPFUMW-LBPRGKRZSA-N 0 0 391.456 3.473 50 0 GGAARN Cc1ccc(S(=O)(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1C ZINC000096340583 1410327697 /nfs/dbraw/zinc/32/76/97/1410327697.db2.gz OHTWBGSQACIQKE-UHFFFAOYSA-N 0 0 389.399 3.274 50 0 GGAARN COc1ccc(CNC(=O)N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1OC ZINC000096367762 1410328614 /nfs/dbraw/zinc/32/86/14/1410328614.db2.gz YHXZVMGSDROKRD-QFIPXVFZSA-N 0 0 396.443 3.023 50 0 GGAARN COc1ccc(S(=O)(=O)Nc2ccc(N3CCC(OC)CC3)cc2)cc1C ZINC000096382307 1410329595 /nfs/dbraw/zinc/32/95/95/1410329595.db2.gz NUOGUXDKNBFQFA-UHFFFAOYSA-N 0 0 390.505 3.420 50 0 GGAARN Cc1nc2ccccc2n1CCC(=O)N1CCN(CCc2ccccc2)CC1 ZINC000121284353 1414071603 /nfs/dbraw/zinc/07/16/03/1414071603.db2.gz UIBGLUYBKFCHIU-UHFFFAOYSA-N 0 0 376.504 3.122 50 0 GGAARN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cnc2ccccn2c1=O ZINC000130049564 1416308797 /nfs/dbraw/zinc/30/87/97/1416308797.db2.gz HPCXMANDSKNELZ-KRWDZBQOSA-N 0 0 375.428 3.261 50 0 GGAARN CC1(C)C(C(N)=O)=C(N)NC(=S)[C@@H]1c1nc(-c2ccc(Cl)cc2)cs1 ZINC000137348194 1417381581 /nfs/dbraw/zinc/38/15/81/1417381581.db2.gz RMZIMNCSPFIMFX-NWDGAFQWSA-N 0 0 392.937 3.373 50 0 GGAARN Cc1cc(=O)c(OCc2ccccc2)c(CN2C(=O)c3ccccc3C2=O)n1C ZINC000141529770 1417543391 /nfs/dbraw/zinc/54/33/91/1417543391.db2.gz PJRWTMJTMVSZOR-UHFFFAOYSA-N 0 0 388.423 3.069 50 0 GGAARN O=C(CCSc1ccc2c(c1)OCCO2)NCc1ccccc1-n1ccnc1 ZINC000154902161 1423073786 /nfs/dbraw/zinc/07/37/86/1423073786.db2.gz AZEBHWPQJCRIAU-UHFFFAOYSA-N 0 0 395.484 3.442 50 0 GGAARN COc1ccc(CNC(=O)C2CCN(c3noc(-c4ccccc4)n3)CC2)cc1 ZINC000157823319 1424096409 /nfs/dbraw/zinc/09/64/09/1424096409.db2.gz BPLFYOLPVMYUCT-UHFFFAOYSA-N 0 0 392.459 3.278 50 0 GGAARN CSc1ccc(CNC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)cc1 ZINC000169770757 1425251229 /nfs/dbraw/zinc/25/12/29/1425251229.db2.gz STUXFNGGNCGXKA-UHFFFAOYSA-N 0 0 381.505 3.290 50 0 GGAARN COc1cccc(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1 ZINC000169772438 1425252729 /nfs/dbraw/zinc/25/27/29/1425252729.db2.gz GXBQZNGLGWVRMO-UHFFFAOYSA-N 0 0 394.397 3.211 50 0 GGAARN O=C(Nc1ccc(CCN2CCOCC2)cc1)c1cnc(-c2ccncc2)s1 ZINC000172793788 1426191989 /nfs/dbraw/zinc/19/19/89/1426191989.db2.gz TXZZYSPMQYKBSI-UHFFFAOYSA-N 0 0 394.500 3.332 50 0 GGAARN CC(C)c1cccc2c1CCN(C(=O)Nc1ccc(-n3ncn(C)c3=O)cc1)C2 ZINC000189836145 1432249284 /nfs/dbraw/zinc/24/92/84/1432249284.db2.gz BPDFKCIABZOTTE-UHFFFAOYSA-N 0 0 391.475 3.285 50 0 GGAARN COc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3c3cccnc3)CC2=O)cc1 ZINC000225425344 1433367160 /nfs/dbraw/zinc/36/71/60/1433367160.db2.gz HDQWLMAIFQDMNR-YLJYHZDGSA-N 0 0 379.460 3.197 50 0 biogenic GGAARN O=C(CCn1ccc2c1cccc2Cl)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000225428031 1433367203 /nfs/dbraw/zinc/36/72/03/1433367203.db2.gz XJMYPRWUZLEGRG-CVEARBPZSA-N 0 0 395.890 3.492 50 0 biogenic GGAARN CC[C@@H](NC(=O)c1cn(C[C@@H](O)c2ccccc2F)nn1)c1ccc(OC)cc1 ZINC000225582191 1433367270 /nfs/dbraw/zinc/36/72/70/1433367270.db2.gz YOUSNVCIKDCLOM-UYAOXDASSA-N 0 0 398.438 3.041 50 0 GGAARN Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](C)Cc3ccc4c(c3)CCO4)cc2)co1 ZINC000225603743 1433367276 /nfs/dbraw/zinc/36/72/76/1433367276.db2.gz DJGRZIFIJOARPR-AWEZNQCLSA-N 0 0 398.484 3.494 50 0 GGAARN CSc1ccc(CCC(=O)N2CC[C@H](S(=O)(=O)Cc3ccco3)C2)cc1 ZINC000225614672 1433367321 /nfs/dbraw/zinc/36/73/21/1433367321.db2.gz XIKXYQKBJWEPLN-SFHVURJKSA-N 0 0 393.530 3.150 50 0 GGAARN CS(=O)(=O)c1ccc(CCC(=O)NC[C@H](O)c2cccc3ccccc32)cc1 ZINC000225618123 1433367323 /nfs/dbraw/zinc/36/73/23/1433367323.db2.gz DJIVAVRCIMXWHM-NRFANRHFSA-N 0 0 397.496 3.026 50 0 GGAARN O=C(NC[C@](O)(c1ccco1)c1cccs1)c1ccc(C(F)(F)F)nc1 ZINC000225588808 1433367328 /nfs/dbraw/zinc/36/73/28/1433367328.db2.gz CFJRQCHOYQOZCE-INIZCTEOSA-N 0 0 382.363 3.421 50 0 GGAARN Cc1nn(-c2ccccn2)c(C)c1CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000225583571 1433367330 /nfs/dbraw/zinc/36/73/30/1433367330.db2.gz VNRJIZSYQNBCTC-NTCAYCPXSA-N 0 0 382.489 3.017 50 0 GGAARN CCOc1ccc(S(=O)(=O)N[C@H](c2cccnc2)C2CCOCC2)cc1F ZINC000225624356 1433367331 /nfs/dbraw/zinc/36/73/31/1433367331.db2.gz SRXQRYHMDQBAGD-IBGZPJMESA-N 0 0 394.468 3.066 50 0 GGAARN O=C(NC[C@@](O)(c1ccco1)c1cccs1)c1ccc(C(F)(F)F)nc1 ZINC000225588839 1433367344 /nfs/dbraw/zinc/36/73/44/1433367344.db2.gz CFJRQCHOYQOZCE-MRXNPFEDSA-N 0 0 382.363 3.421 50 0 GGAARN COc1ccc(CNC(=O)N[C@H](c2cccnc2)C2CCOCC2)cc1OC ZINC000225623708 1433367346 /nfs/dbraw/zinc/36/73/46/1433367346.db2.gz YBIVBYWRFUPKJQ-FQEVSTJZSA-N 0 0 385.464 3.066 50 0 GGAARN O=C(N[C@H](CN1C(=O)COC1=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000225636614 1433367526 /nfs/dbraw/zinc/36/75/26/1433367526.db2.gz NLANIMAHIMRYSU-OAHLLOKOSA-N 0 0 393.226 3.443 50 0 GGAARN O=C(CCc1cccc(Cl)c1)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 ZINC000225635888 1433367534 /nfs/dbraw/zinc/36/75/34/1433367534.db2.gz NUEKNEADBFCPGB-KRWDZBQOSA-N 0 0 386.835 3.109 50 0 GGAARN O=C(CCc1cccc(Cl)c1)N[C@H](CN1C(=O)COC1=O)c1ccccc1 ZINC000225635861 1433367559 /nfs/dbraw/zinc/36/75/59/1433367559.db2.gz NUEKNEADBFCPGB-QGZVFWFLSA-N 0 0 386.835 3.109 50 0 GGAARN O=C(C=Cc1ccccc1Cl)N[C@H](CN1C(=O)COC1=O)c1ccccc1 ZINC000225636522 1433367567 /nfs/dbraw/zinc/36/75/67/1433367567.db2.gz DVVROUSIWHJINR-SXSDINLZSA-N 0 0 384.819 3.190 50 0 GGAARN O=C(NCCCc1cnc2ncnn2c1)c1cccc(OCc2ccccc2)c1 ZINC000225644024 1433367575 /nfs/dbraw/zinc/36/75/75/1433367575.db2.gz JLSFHIXUDFGVAE-UHFFFAOYSA-N 0 0 387.443 3.066 50 0 GGAARN CCOc1ccc(S(=O)(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)C2)cc1F ZINC000225678404 1433367581 /nfs/dbraw/zinc/36/75/81/1433367581.db2.gz YOYGKPSAQWQXPF-CQSZACIVSA-N 0 0 393.436 3.131 50 0 GGAARN O=S(=O)(NCc1cccnc1-c1ccsc1)c1ccc(-n2cccn2)cc1 ZINC000225649443 1433367583 /nfs/dbraw/zinc/36/75/83/1433367583.db2.gz NKNNGYZXZTYRTJ-UHFFFAOYSA-N 0 0 396.497 3.474 50 0 GGAARN COc1ccccc1-c1cc(C(=O)NCc2cccnc2-c2cccnc2)[nH]n1 ZINC000225643261 1433367585 /nfs/dbraw/zinc/36/75/85/1433367585.db2.gz ICCGHCSOBCFVHF-UHFFFAOYSA-N 0 0 385.427 3.472 50 0 GGAARN O=S(=O)(c1ccc(F)c(Cl)c1)N1CC[C@@H](N2CCc3ccccc3C2)C1 ZINC000225688241 1433367618 /nfs/dbraw/zinc/36/76/18/1433367618.db2.gz PNLOWTMCFXCZMV-MRXNPFEDSA-N 0 0 394.899 3.300 50 0 GGAARN 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O=C(COc1ccc(Cl)cc1Cl)OCN1C(=O)c2ccccc2C1=O ZINC000001149699 209306509 /nfs/dbraw/zinc/30/65/09/209306509.db2.gz FNVSAPXLNXSHDK-UHFFFAOYSA-N 0 0 380.183 3.169 50 0 GGAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(c2ncccn2)CC1 ZINC000001144210 209306244 /nfs/dbraw/zinc/30/62/44/209306244.db2.gz KGSMVTGOYFHCRJ-UHFFFAOYSA-N 0 0 386.521 3.035 50 0 GGAARN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1 ZINC000001143678 209307243 /nfs/dbraw/zinc/30/72/43/209307243.db2.gz CSLHCOKIXDOCRC-UHFFFAOYSA-N 0 0 396.472 3.308 50 0 GGAARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1C ZINC000001143798 209307046 /nfs/dbraw/zinc/30/70/46/209307046.db2.gz AYFJHDXXYYVUCU-GOEBONIOSA-N 0 0 398.381 3.398 50 0 GGAARN COc1ccccc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000001151388 209307067 /nfs/dbraw/zinc/30/70/67/209307067.db2.gz LDQAIKSBASWFQD-UHFFFAOYSA-N 0 0 376.478 3.223 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O ZINC000001151642 209306766 /nfs/dbraw/zinc/30/67/66/209306766.db2.gz 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CCOc1ccccc1N(CC(=O)Nc1cccc(SC)c1)S(C)(=O)=O ZINC000001137451 209304911 /nfs/dbraw/zinc/30/49/11/209304911.db2.gz IUQWWRCEUAUOCW-UHFFFAOYSA-N 0 0 394.518 3.212 50 0 GGAARN CN(c1ccc(C(=O)Nc2cccc(O)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000001136607 209304918 /nfs/dbraw/zinc/30/49/18/209304918.db2.gz IGGFNTFJFVQLTL-UHFFFAOYSA-N 0 0 382.441 3.470 50 0 GGAARN CCc1ccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000001137850 209304971 /nfs/dbraw/zinc/30/49/71/209304971.db2.gz XAPPSCQIZCPLRB-UHFFFAOYSA-N 0 0 396.896 3.316 50 0 GGAARN COc1ccc(N(CC(=O)Nc2cccc(C)c2C)S(C)(=O)=O)cc1Cl ZINC000001115951 209302718 /nfs/dbraw/zinc/30/27/18/209302718.db2.gz LWSFKGHBVDDOLE-UHFFFAOYSA-N 0 0 396.896 3.370 50 0 GGAARN CCN(CC)C(=O)CSc1nnc(NC(=O)CCc2ccccc2)s1 ZINC000001116155 209302724 /nfs/dbraw/zinc/30/27/24/209302724.db2.gz PGLZSFULSVTAER-UHFFFAOYSA-N 0 0 378.523 3.070 50 0 GGAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000001117881 209302760 /nfs/dbraw/zinc/30/27/60/209302760.db2.gz 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209302258 /nfs/dbraw/zinc/30/22/58/209302258.db2.gz BBCJACGLANQDBS-IBGZPJMESA-N 0 0 382.485 3.497 50 0 GGAARN COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(C)c(Cl)c2)CC1 ZINC000001117222 209302303 /nfs/dbraw/zinc/30/23/03/209302303.db2.gz GVUUUPWNEXTLIB-UHFFFAOYSA-N 0 0 394.924 3.476 50 0 GGAARN COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccccc1OCc1ccccc1 ZINC000001123175 209303384 /nfs/dbraw/zinc/30/33/84/209303384.db2.gz FPCAMMVRCVSONH-UHFFFAOYSA-N 0 0 393.439 3.408 50 0 GGAARN COc1cc(C(=O)Nc2ccc(Br)c(C)n2)cc(OC)c1OC ZINC000001122615 209303395 /nfs/dbraw/zinc/30/33/95/209303395.db2.gz YTHPMKSDXSXYBR-UHFFFAOYSA-N 0 0 381.226 3.431 50 0 GGAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1ccc(OC)c(C)c1 ZINC000001120655 209302101 /nfs/dbraw/zinc/30/21/01/209302101.db2.gz BBCJACGLANQDBS-LJQANCHMSA-N 0 0 382.485 3.497 50 0 GGAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NC1CCCC1 ZINC000001111256 209301750 /nfs/dbraw/zinc/30/17/50/209301750.db2.gz RWFQZMCVNRKNJQ-UHFFFAOYSA-N 0 0 376.453 3.080 50 0 GGAARN CC(C)c1ccc(N2C(=O)C[C@H](Sc3nnnn3-c3ccccc3)C2=O)cc1 ZINC000001107349 209301523 /nfs/dbraw/zinc/30/15/23/209301523.db2.gz GZERNRNHMZKGRY-KRWDZBQOSA-N 0 0 393.472 3.210 50 0 GGAARN CCN1C(=O)c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2C1=O ZINC000001108594 209301576 /nfs/dbraw/zinc/30/15/76/209301576.db2.gz DOJPGFIEQVQYTN-UHFFFAOYSA-N 0 0 378.306 3.453 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1 ZINC000001109910 209301590 /nfs/dbraw/zinc/30/15/90/209301590.db2.gz HOIXZFLMTOISRI-UHFFFAOYSA-N 0 0 375.837 3.316 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000001111560 209301625 /nfs/dbraw/zinc/30/16/25/209301625.db2.gz SQGGNJMNAJWQHC-LJQANCHMSA-N 0 0 388.489 3.104 50 0 GGAARN COc1ccc(N([C@H](C)C(=O)Nc2cccc(C)c2C)S(C)(=O)=O)cc1 ZINC000001112337 209301632 /nfs/dbraw/zinc/30/16/32/209301632.db2.gz ISOZWYRVLCPUAU-OAHLLOKOSA-N 0 0 376.478 3.105 50 0 GGAARN CN(c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1)S(C)(=O)=O ZINC000001111254 209301496 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GGAARN COc1cc(-c2nn3c(Cc4ccccc4)nnc3s2)cc(OC)c1OC ZINC000000641663 209253798 /nfs/dbraw/zinc/25/37/98/209253798.db2.gz IWYDYJGOIQQJFN-UHFFFAOYSA-N 0 0 382.445 3.469 50 0 GGAARN Cc1ccccc1NS(=O)(=O)c1ccc(-c2ccc(-n3cnnn3)cc2)cc1 ZINC000000643535 209253852 /nfs/dbraw/zinc/25/38/52/209253852.db2.gz DVCPQCGSJXCQIB-UHFFFAOYSA-N 0 0 391.456 3.439 50 0 GGAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000000641226 209253869 /nfs/dbraw/zinc/25/38/69/209253869.db2.gz IHZALDOORCRUKA-IBGZPJMESA-N 0 0 381.432 3.361 50 0 GGAARN CCOc1ccc(-n2nnnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000622977 209250748 /nfs/dbraw/zinc/25/07/48/209250748.db2.gz MLJVFPOTIIQCRB-UHFFFAOYSA-N 0 0 389.868 3.445 50 0 GGAARN CCOC(=O)c1c(N)n(-c2cc(OC)cc(OC)c2)c2nc3ccccc3nc21 ZINC000000636185 209252547 /nfs/dbraw/zinc/25/25/47/209252547.db2.gz YNJPBKOXLGELAS-UHFFFAOYSA-N 0 0 392.415 3.350 50 0 GGAARN Cc1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3)n2C)cc1 ZINC000000633865 209252562 /nfs/dbraw/zinc/25/25/62/209252562.db2.gz 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/nfs/dbraw/zinc/25/14/55/209251455.db2.gz VQZALIAYXCRMCX-UHFFFAOYSA-N 0 0 379.821 3.339 50 0 GGAARN Cc1ccc(NC[C@H](O)Cn2cnc3ccc(Cl)c(Cl)c3c2=O)cc1 ZINC000000629741 209251261 /nfs/dbraw/zinc/25/12/61/209251261.db2.gz SLTYGFXOPNTLQL-ZDUSSCGKSA-N 0 0 378.259 3.485 50 0 GGAARN CC(C)CCn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000000628203 209251141 /nfs/dbraw/zinc/25/11/41/209251141.db2.gz BJAAJJIJGKALIY-UHFFFAOYSA-N 0 0 392.912 3.415 50 0 GGAARN CC(C)CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl ZINC000000627976 209251219 /nfs/dbraw/zinc/25/12/19/209251219.db2.gz FONITDQXPDSLEG-UHFFFAOYSA-N 0 0 392.912 3.263 50 0 GGAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000009168945 209250428 /nfs/dbraw/zinc/25/04/28/209250428.db2.gz SJHDMSOEEGILFI-UHFFFAOYSA-N 0 0 378.425 3.292 50 0 GGAARN NC(=O)c1c2c(sc1NC(=O)c1cncc(Br)c1)CCCC2 ZINC000000622719 209250437 /nfs/dbraw/zinc/25/04/37/209250437.db2.gz XEXWAUSNHORUEJ-UHFFFAOYSA-N 0 0 380.267 3.136 50 0 GGAARN O=C(NC[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1)Nc1c(F)cccc1F ZINC000009066912 209249039 /nfs/dbraw/zinc/24/90/39/209249039.db2.gz LJACBOOVVJXEOT-ZDUSSCGKSA-N 0 0 377.366 3.274 50 0 GGAARN CCOc1ccc(N2C[C@@H](CNC(=O)Nc3ccc(OC)cc3)CC2=O)cc1 ZINC000009039502 209248822 /nfs/dbraw/zinc/24/88/22/209248822.db2.gz JISLVMUVRQECGN-OAHLLOKOSA-N 0 0 383.448 3.269 50 0 GGAARN COc1cccc(C(=O)NC[C@@H]2CN(c3cccc(Cl)c3)C(=O)O2)c1OC ZINC000009072852 209248827 /nfs/dbraw/zinc/24/88/27/209248827.db2.gz UOGSIQQDWLERJZ-CQSZACIVSA-N 0 0 390.823 3.112 50 0 GGAARN COc1ccc(N2C[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)OC2=O)cc1 ZINC000009102855 209248904 /nfs/dbraw/zinc/24/89/04/209248904.db2.gz LDSLPAHMTZIDIB-INIZCTEOSA-N 0 0 394.349 3.469 50 0 GGAARN COc1cc(NC(=O)NC[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(OC)c1 ZINC000009040558 209248917 /nfs/dbraw/zinc/24/89/17/209248917.db2.gz KQHKZGZEAJGRFO-HNNXBMFYSA-N 0 0 383.448 3.187 50 0 GGAARN CCOc1ccc(CC(=O)NC[C@H]2CN(c3ccc(Cl)cc3)C(=O)O2)cc1 ZINC000009072093 209248932 /nfs/dbraw/zinc/24/89/32/209248932.db2.gz NAEPLANSERWEIC-SFHVURJKSA-N 0 0 388.851 3.423 50 0 GGAARN CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1NCc1cccc(OC)c1 ZINC000009166433 209248945 /nfs/dbraw/zinc/24/89/45/209248945.db2.gz BWUZQFHTQXHDKT-UHFFFAOYSA-N 0 0 397.406 3.169 50 0 GGAARN O=C(NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)Nc1cccc(Cl)c1 ZINC000009040630 209248547 /nfs/dbraw/zinc/24/85/47/209248547.db2.gz YFWDRMXAHQILBH-GFCCVEGCSA-N 0 0 387.823 3.243 50 0 GGAARN Cc1ccc(NC(=O)CN2CCC(C(=O)NCc3cccs3)CC2)c(C)c1 ZINC000009071502 209248569 /nfs/dbraw/zinc/24/85/69/209248569.db2.gz LGMVNSAXROPBFA-UHFFFAOYSA-N 0 0 385.533 3.332 50 0 GGAARN CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1NCc1cccc(OC)c1 ZINC000009165778 209248579 /nfs/dbraw/zinc/24/85/79/209248579.db2.gz VXHVJKBDUPUGQZ-UHFFFAOYSA-N 0 0 393.443 3.338 50 0 GGAARN O=C(NCc1ccc(F)cc1)NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000009040353 209248694 /nfs/dbraw/zinc/24/86/94/209248694.db2.gz OUMJQPJGNHVOMS-CQSZACIVSA-N 0 0 375.831 3.331 50 0 GGAARN COc1cccc(C(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)c1OC ZINC000009037625 209248761 /nfs/dbraw/zinc/24/87/61/209248761.db2.gz MDIXHBNMIGLJRX-UHFFFAOYSA-N 0 0 380.444 3.251 50 0 GGAARN Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(cc(F)cc3F)s2)nn1C ZINC000009122300 209248474 /nfs/dbraw/zinc/24/84/74/209248474.db2.gz IPQBWRHVDNKLAU-LBPRGKRZSA-N 0 0 392.431 3.442 50 0 GGAARN CCCOc1nn(CCC)cc1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000009070854 209248199 /nfs/dbraw/zinc/24/81/99/209248199.db2.gz JWIYWHDGAUUYDS-UHFFFAOYSA-N 0 0 375.469 3.072 50 0 GGAARN CCOc1ccccc1NC(=O)NC[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000009039281 209248328 /nfs/dbraw/zinc/24/83/28/209248328.db2.gz CZHKQRHHHAHNTL-OAHLLOKOSA-N 0 0 383.448 3.269 50 0 GGAARN COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)CN(C(=O)C2CC2)CC3)c1 ZINC000009037556 209248400 /nfs/dbraw/zinc/24/84/00/209248400.db2.gz PSRDYWWAILDLPT-UHFFFAOYSA-N 0 0 380.444 3.251 50 0 GGAARN CC1(C)COc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc2NC1=O ZINC000009168650 209248079 /nfs/dbraw/zinc/24/80/79/209248079.db2.gz GJGNGYFHEDRFHF-UHFFFAOYSA-N 0 0 380.853 3.498 50 0 GGAARN CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 ZINC000009165447 209248171 /nfs/dbraw/zinc/24/81/71/209248171.db2.gz CDNSIVYJCHUEFF-UHFFFAOYSA-N 0 0 388.489 3.431 50 0 GGAARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1C ZINC000009168770 209247893 /nfs/dbraw/zinc/24/78/93/209247893.db2.gz PRVONEBJQUATEN-UHFFFAOYSA-N 0 0 390.461 3.162 50 0 GGAARN COc1ccccc1OCC(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000009053464 209247677 /nfs/dbraw/zinc/24/76/77/209247677.db2.gz DTTZHNUVKOFNOA-UHFFFAOYSA-N 0 0 383.473 3.033 50 0 GGAARN O=C(NC[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)Nc1ccccc1Cl ZINC000009065640 209247719 /nfs/dbraw/zinc/24/77/19/209247719.db2.gz NDXDGVIJLSZFGF-GFCCVEGCSA-N 0 0 387.823 3.243 50 0 GGAARN CC[C@H](C)[C@@H](CO)NC(=O)COc1ccc2c(c1)OC1(CCCCC1)CC2=O ZINC000009048916 209247734 /nfs/dbraw/zinc/24/77/34/209247734.db2.gz HMYHEYYLZBEXRN-MAUKXSAKSA-N 0 0 389.492 3.257 50 0 GGAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)c(C)c1 ZINC000009165613 209247588 /nfs/dbraw/zinc/24/75/88/209247588.db2.gz SPVFLKDCJMVUAN-UHFFFAOYSA-N 0 0 388.489 3.486 50 0 GGAARN Cc1ccc(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(C)c1 ZINC000009036865 209247138 /nfs/dbraw/zinc/24/71/38/209247138.db2.gz FKBHVTIZFQMGDC-HNNXBMFYSA-N 0 0 392.908 3.288 50 0 GGAARN CCC(=O)N1CCc2ccc(NC(=O)c3ccc(OC)c(OC)c3OC)cc2C1 ZINC000009035404 209247147 /nfs/dbraw/zinc/24/71/47/209247147.db2.gz HQHPXEWDXCUFFP-UHFFFAOYSA-N 0 0 398.459 3.259 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](OC)c1ccccc1Cl ZINC000158507855 209246707 /nfs/dbraw/zinc/24/67/07/209246707.db2.gz WPBMCDSUBDRXGE-INIZCTEOSA-N 0 0 397.258 3.444 50 0 GGAARN COc1ccc(OCC(=O)Nc2ccc3c(c2)CN(C(=O)C(C)C)CC3)cc1 ZINC000009036154 209246820 /nfs/dbraw/zinc/24/68/20/209246820.db2.gz DIBVOQLZSPCYKZ-UHFFFAOYSA-N 0 0 382.460 3.253 50 0 GGAARN O=C(COc1ccccc1)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 ZINC000009036292 209246145 /nfs/dbraw/zinc/24/61/45/209246145.db2.gz KOJJOJVFRBKSPZ-UHFFFAOYSA-N 0 0 376.412 3.496 50 0 GGAARN Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 ZINC000009036877 209246234 /nfs/dbraw/zinc/24/62/34/209246234.db2.gz XCEUJAXUCPKZMI-HNNXBMFYSA-N 0 0 392.908 3.288 50 0 GGAARN O=c1c2ncccc2n(Cc2cccc3ccccc32)c(=O)n1Cc1ccncc1 ZINC000009001675 209245983 /nfs/dbraw/zinc/24/59/83/209245983.db2.gz JWQJBKSLUUHXKM-UHFFFAOYSA-N 0 0 394.434 3.203 50 0 GGAARN Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c(C)c1 ZINC000009036370 209245825 /nfs/dbraw/zinc/24/58/25/209245825.db2.gz GXTVEGRVRGFKGR-INIZCTEOSA-N 0 0 390.480 3.082 50 0 GGAARN COc1ccc(OC)c(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c1 ZINC000019943005 209236169 /nfs/dbraw/zinc/23/61/69/209236169.db2.gz PBOWCKIYHDYGKX-INIZCTEOSA-N 0 0 399.443 3.243 50 0 biogenic GGAARN COc1ccc(-c2coc3cc(OCCN4CCOCC4)ccc3c2=O)cc1 ZINC000020591633 209235934 /nfs/dbraw/zinc/23/59/34/209235934.db2.gz NRHGDOIQXBULPO-UHFFFAOYSA-N 0 0 381.428 3.180 50 0 biogenic GGAARN CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ncc(Br)cc12 ZINC000089221875 209234156 /nfs/dbraw/zinc/23/41/56/209234156.db2.gz IUENRWIDEOHJOK-UHFFFAOYSA-N 0 0 382.258 3.065 50 0 GGAARN O=c1cc(CN2CCN(C/C=C/c3ccccc3)CC2)c2cc(O)ccc2o1 ZINC000020503680 209235178 /nfs/dbraw/zinc/23/51/78/209235178.db2.gz ZZRKUYUTTGDFAH-QPJJXVBHSA-N 0 0 376.456 3.330 50 0 biogenic GGAARN CCNC(=O)N1CCc2c3cc(C)ccc3[nH]c2[C@@]12c1ccccc1N(C)C2=O ZINC000006624073 209232914 /nfs/dbraw/zinc/23/29/14/209232914.db2.gz JZPGYBHIXAPPOV-HSZRJFAPSA-N 0 0 388.471 3.284 50 0 biogenic GGAARN CCNC(=O)N1CCc2c3cc(C)ccc3[nH]c2[C@]12c1ccccc1N(C)C2=O ZINC000006624074 209233510 /nfs/dbraw/zinc/23/35/10/209233510.db2.gz JZPGYBHIXAPPOV-QHCPKHFHSA-N 0 0 388.471 3.284 50 0 biogenic GGAARN COC(=O)[C@H](C)Oc1ccc2cc(-c3ccc(OC)cc3OC)c(=O)oc2c1 ZINC000004085682 209231108 /nfs/dbraw/zinc/23/11/08/209231108.db2.gz RKEAFMNMZXGIIV-LBPRGKRZSA-N 0 0 384.384 3.418 50 0 biogenic GGAARN CCOC(=O)c1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4CN3C2=O)cc1 ZINC000004045703 209230463 /nfs/dbraw/zinc/23/04/63/209230463.db2.gz XOUYPXSLFMRXQQ-IBGZPJMESA-N 0 0 389.411 3.238 50 0 biogenic GGAARN COc1cc(Br)c(CNCc2ccc3c(c2)OCO3)cc1OC ZINC000005005744 209231837 /nfs/dbraw/zinc/23/18/37/209231837.db2.gz SORLVLVLDYYASG-UHFFFAOYSA-N 0 0 380.238 3.485 50 0 GGAARN CCOC(=O)COc1ccc2c(c1)occ(-c1ccc(OC)c(OC)c1)c2=O ZINC000002156321 209228541 /nfs/dbraw/zinc/22/85/41/209228541.db2.gz NMDILVJXJHUFAP-UHFFFAOYSA-N 0 0 384.384 3.419 50 0 biogenic GGAARN Cc1cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)c2c3c(c(=O)oc2c1)CCC3 ZINC000002150594 209229979 /nfs/dbraw/zinc/22/99/79/209229979.db2.gz QZHUVIUQPSCIIN-LBPRGKRZSA-N 0 0 387.432 3.409 50 0 biogenic GGAARN CCOc1ccc(NC(=O)c2nnn3c2CO[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000263619649 209227772 /nfs/dbraw/zinc/22/77/72/209227772.db2.gz ZTSNPZPBDRSRTL-IBGZPJMESA-N 0 0 394.431 3.209 50 0 GGAARN Cc1c(NC(=O)c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000822428 209227776 /nfs/dbraw/zinc/22/77/76/209227776.db2.gz CEGCVTCVUUCPAR-UHFFFAOYSA-N 0 0 386.249 3.499 50 0 GGAARN O=C(C1CCN(c2nccn3nc4c(c23)CCCC4)CC1)N1CCCCCC1 ZINC000263619677 209227194 /nfs/dbraw/zinc/22/71/94/209227194.db2.gz ZYVMVISBOJUNRY-UHFFFAOYSA-N 0 0 381.524 3.227 50 0 GGAARN Cc1ccc(-c2cc3n(n2)[C@H](NCc2cc(F)ccc2F)CNC3=O)c(C)c1 ZINC000263618828 209227107 /nfs/dbraw/zinc/22/71/07/209227107.db2.gz VSOSSIORKIMFLE-FQEVSTJZSA-N 0 0 382.414 3.477 50 0 GGAARN CC1(C)C[C@@]2(CCO1)OC(=O)C[C@H]2C(=O)Nc1ccc(Br)cc1 ZINC000001149599 209226984 /nfs/dbraw/zinc/22/69/84/209226984.db2.gz SPWQOIWKUZRUDT-SUMWQHHRSA-N 0 0 382.254 3.279 50 0 biogenic GGAARN COC(=O)[C@H](C)Oc1ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 ZINC000001237893 209226543 /nfs/dbraw/zinc/22/65/43/209226543.db2.gz PAIGCABXKKIXCP-LBPRGKRZSA-N 0 0 384.384 3.418 50 0 biogenic GGAARN O=C(NCCCc1ccccc1)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 ZINC000263617841 209226091 /nfs/dbraw/zinc/22/60/91/209226091.db2.gz PZKBFEBLOOYXNE-LJQANCHMSA-N 0 0 380.423 3.051 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4ccc(C)cc4F)c3CO2)cc1 ZINC000263616084 209226124 /nfs/dbraw/zinc/22/61/24/209226124.db2.gz GXFDCSBWJVBXLX-GOSISDBHSA-N 0 0 382.395 3.258 50 0 GGAARN COc1ccccc1CN[C@@H]1CNC(=O)c2cc(-c3ccc(Cl)cc3)nn21 ZINC000263616742 209226137 /nfs/dbraw/zinc/22/61/37/209226137.db2.gz KHNYZYIZBXCSIP-IBGZPJMESA-N 0 0 382.851 3.244 50 0 GGAARN O=C(NCc1ccccc1Cl)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 ZINC000263616346 209225722 /nfs/dbraw/zinc/22/57/22/209225722.db2.gz IENBRJDYSYIKID-QGZVFWFLSA-N 0 0 386.814 3.272 50 0 GGAARN COc1ccc(NC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)cc1F ZINC000263616458 209225978 /nfs/dbraw/zinc/22/59/78/209225978.db2.gz IUMFEMIUXZMOIM-QGZVFWFLSA-N 0 0 386.358 3.089 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc(C)cc4F)c3CO2)cc1 ZINC000263616085 209225780 /nfs/dbraw/zinc/22/57/80/209225780.db2.gz GXFDCSBWJVBXLX-SFHVURJKSA-N 0 0 382.395 3.258 50 0 GGAARN COc1cccc([C@H](O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)c1 ZINC000263618439 209226018 /nfs/dbraw/zinc/22/60/18/209226018.db2.gz SZSARWSEQNIXKR-HXUWFJFHSA-N 0 0 379.391 3.044 50 0 GGAARN C=Cc1ccc(Cn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1 ZINC000263616663 209225623 /nfs/dbraw/zinc/22/56/23/209225623.db2.gz JYMCXHXFRLTQED-UHFFFAOYSA-N 0 0 375.403 3.486 50 0 GGAARN C=Cc1ccc(Cn2ccn3nc(-c4cccc(F)c4)c(CO)c3c2=O)cc1 ZINC000263618720 209225706 /nfs/dbraw/zinc/22/57/06/209225706.db2.gz VEHUNUPIWSXMAW-UHFFFAOYSA-N 0 0 375.403 3.486 50 0 GGAARN COc1ccc(-c2cc3c(=O)n(C[C@H](O)c4ccc(C)cc4)ccn3n2)cc1 ZINC000263615433 209225435 /nfs/dbraw/zinc/22/54/35/209225435.db2.gz CJLMJZMGMRKKBM-NRFANRHFSA-N 0 0 375.428 3.214 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)NCc4ccccc4Cl)c3CO2)cc1 ZINC000263616247 209225553 /nfs/dbraw/zinc/22/55/53/209225553.db2.gz HTFUZAUHBCCXPL-GOSISDBHSA-N 0 0 398.850 3.142 50 0 GGAARN Cc1ccccc1C(=O)N1CCC2(CC1)NC(=O)N(c1cccc(Cl)c1)N2 ZINC000263616721 209225190 /nfs/dbraw/zinc/22/51/90/209225190.db2.gz KEWQZLNSGFWGJX-UHFFFAOYSA-N 0 0 384.867 3.315 50 0 GGAARN COc1ccc(C)cc1NC(=O)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 ZINC000263618479 209225218 /nfs/dbraw/zinc/22/52/18/209225218.db2.gz TZXBBPWDCJHECW-GOSISDBHSA-N 0 0 382.395 3.258 50 0 GGAARN COc1cccc(CN[C@H]2CNC(=O)c3cc(-c4ccc(Cl)cc4)nn32)c1 ZINC000263618589 209225310 /nfs/dbraw/zinc/22/53/10/209225310.db2.gz UMWDJKDFBNRPOI-LJQANCHMSA-N 0 0 382.851 3.244 50 0 GGAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccccn3)n2)cc1OC ZINC000263617599 209225339 /nfs/dbraw/zinc/22/53/39/209225339.db2.gz OQYZDVJAVVPSSP-OAHLLOKOSA-N 0 0 380.404 3.126 50 0 GGAARN CCOc1ccccc1CN[C@@H]1CNC(=O)c2cc(-c3ccc(C)cc3)nn21 ZINC000263616571 209225350 /nfs/dbraw/zinc/22/53/50/209225350.db2.gz JLUPTTGXHWKRPW-NRFANRHFSA-N 0 0 376.460 3.289 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4ccc(C)c(C)c4)c3CO2)cc1 ZINC000263616150 209224999 /nfs/dbraw/zinc/22/49/99/209224999.db2.gz HJLLQSJHYSWZRQ-IBGZPJMESA-N 0 0 378.432 3.427 50 0 GGAARN CCOc1ccc([C@@H](O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 ZINC000263618434 209225058 /nfs/dbraw/zinc/22/50/58/209225058.db2.gz SYTYRTSEPLQVRY-NRFANRHFSA-N 0 0 393.418 3.434 50 0 GGAARN COc1ccc([C@@H](O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)cc1 ZINC000263616757 209225807 /nfs/dbraw/zinc/22/58/07/209225807.db2.gz KJYWCEXKFZWIPL-FQEVSTJZSA-N 0 0 379.391 3.044 50 0 GGAARN COc1cccc(-c2cc3n(n2)[C@@H](NCc2ccc(SC)cc2)CNC3=O)c1 ZINC000263615886 209225810 /nfs/dbraw/zinc/22/58/10/209225810.db2.gz FSMKLJOOOYGETM-HXUWFJFHSA-N 0 0 394.500 3.312 50 0 GGAARN Cc1c(C(=O)N[C@@H](CC(C)C)c2nnc3ccccn32)sc2[nH]cnc(=O)c12 ZINC000263587734 209224484 /nfs/dbraw/zinc/22/44/84/209224484.db2.gz KQHCDEGGHRBECM-LBPRGKRZSA-N 0 0 396.476 3.265 50 0 GGAARN COC(=O)c1ccc(NC(=O)N[C@@H](CC(C)C)c2nnc3ccccn32)cc1 ZINC000263587187 209224501 /nfs/dbraw/zinc/22/45/01/209224501.db2.gz DEXSCSOQPFHJLJ-INIZCTEOSA-N 0 0 381.436 3.425 50 0 GGAARN O=C(CC1(n2cccc2)CCOCC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000263588023 209224529 /nfs/dbraw/zinc/22/45/29/209224529.db2.gz OCJZRQHVNUTNNL-RMKNXTFCSA-N 0 0 393.531 3.242 50 0 GGAARN O=C(C[C@H](c1ccsc1)n1cccc1)NCCn1c(CO)nc2ccccc21 ZINC000263587912 209224264 /nfs/dbraw/zinc/22/42/64/209224264.db2.gz MTPKBGUIDTZSFO-LJQANCHMSA-N 0 0 394.500 3.188 50 0 GGAARN COC(=O)c1cn(CCCc2nc3ccccc3n2C(C)C)cc2c(=O)[nH]nc1-2 ZINC000263587769 209224389 /nfs/dbraw/zinc/22/43/89/209224389.db2.gz KZJWBFYBQITFDR-UHFFFAOYSA-N 0 0 393.447 3.026 50 0 GGAARN O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)NCCN1CCCC1=O ZINC000263588284 209223999 /nfs/dbraw/zinc/22/39/99/209223999.db2.gz RFDBCFDDBWEBNA-NRFANRHFSA-N 0 0 375.472 3.359 50 0 GGAARN CSCC[C@H](C(=O)N1CCN(CCOc2ccccc2)CC1)n1cccc1 ZINC000263587880 209224037 /nfs/dbraw/zinc/22/40/37/209224037.db2.gz MHJRKKDDQQKVML-HXUWFJFHSA-N 0 0 387.549 3.006 50 0 GGAARN O=C(COc1ccc2c(c1)NC(=O)CC2)N1CCc2c3ccccc3[nH]c2C1 ZINC000253395981 209217829 /nfs/dbraw/zinc/21/78/29/209217829.db2.gz ASGZEZFNGYNACO-UHFFFAOYSA-N 0 0 375.428 3.016 50 0 biogenic GGAARN CCOC(=O)[C@H]1CCCCN1c1ncncc1-c1nc(-c2ccccc2F)no1 ZINC000253401883 209217837 /nfs/dbraw/zinc/21/78/37/209217837.db2.gz NQULJNJEWBNCRC-MRXNPFEDSA-N 0 0 397.410 3.255 50 0 GGAARN COC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1cc2cc(OC)ccc2[nH]c1=O ZINC000253623988 209221183 /nfs/dbraw/zinc/22/11/83/209221183.db2.gz XWFOWJDTRUHDSO-CYBMUJFWSA-N 0 0 397.383 3.078 50 0 biogenic GGAARN COC(=O)c1sccc1S(=O)(=O)N[C@H](C)Cc1cc2ccccc2o1 ZINC000253472212 209219788 /nfs/dbraw/zinc/21/97/88/209219788.db2.gz KITOOYCZYFTMAC-LLVKDONJSA-N 0 0 379.459 3.190 50 0 GGAARN O=C(NCCn1ccc(-c2cnccn2)n1)Nc1ccc(C(F)(F)F)cc1 ZINC000253472198 209219906 /nfs/dbraw/zinc/21/99/06/209219906.db2.gz KBJJKJSHWJYUOZ-UHFFFAOYSA-N 0 0 376.342 3.181 50 0 GGAARN O=C(Cc1noc2ccccc21)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 ZINC000253404046 209219738 /nfs/dbraw/zinc/21/97/38/209219738.db2.gz QURDTLFRUCVCMV-GFCCVEGCSA-N 0 0 380.429 3.498 50 0 GGAARN O=C(NC[C@](O)(c1ccsc1)c1cccs1)c1ccc2nsnc2c1 ZINC000253408658 209219401 /nfs/dbraw/zinc/21/94/01/209219401.db2.gz YLNFXRKAXXWMDT-KRWDZBQOSA-N 0 0 387.511 3.480 50 0 GGAARN Cn1nc(-c2cccnc2)cc1CNS(=O)(=O)c1cccc2ccccc21 ZINC000253472062 209219603 /nfs/dbraw/zinc/21/96/03/209219603.db2.gz INRXQVDWOXNURX-UHFFFAOYSA-N 0 0 378.457 3.114 50 0 GGAARN Cc1noc([C@@H]2CN(C(=O)c3c(C)nc4ccccn43)C[C@H]2c2ccccc2)n1 ZINC000253407797 209219155 /nfs/dbraw/zinc/21/91/55/209219155.db2.gz WTKVINHBNLPBKZ-ZWKOTPCHSA-N 0 0 387.443 3.358 50 0 GGAARN O=C(c1cc(=O)c2ccccc2o1)N1CC[C@H](c2noc(-c3ccco3)n2)C1 ZINC000253471490 209219214 /nfs/dbraw/zinc/21/92/14/209219214.db2.gz CYQUJZRMXKAALA-LBPRGKRZSA-N 0 0 377.356 3.066 50 0 GGAARN O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@H](c2noc(-c3ccco3)n2)C1 ZINC000253471489 209219256 /nfs/dbraw/zinc/21/92/56/209219256.db2.gz CYQUJZRMXKAALA-GFCCVEGCSA-N 0 0 377.356 3.066 50 0 GGAARN O=C(NCCC1=CCCCC1)C(=O)NCc1ccc([C@@H](O)c2ccco2)s1 ZINC000253407839 209218710 /nfs/dbraw/zinc/21/87/10/209218710.db2.gz WULXJGBKMCRXSI-SFHVURJKSA-N 0 0 388.489 3.046 50 0 GGAARN COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)Cc1cc2ccccc2o1 ZINC000253472213 209218723 /nfs/dbraw/zinc/21/87/23/209218723.db2.gz KITOOYCZYFTMAC-NSHDSACASA-N 0 0 379.459 3.190 50 0 GGAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)COc1ccc2c(c1)OCO2 ZINC000253412085 209218772 /nfs/dbraw/zinc/21/87/72/209218772.db2.gz PUWBTZYEGJXHNH-SFHVURJKSA-N 0 0 394.427 3.478 50 0 biogenic GGAARN O=C(Cc1c[nH]c2ccccc12)NCc1nnc2ccc(-c3ccsc3)nn21 ZINC000253472263 209218822 /nfs/dbraw/zinc/21/88/22/209218822.db2.gz KYDZHWAXAPOATK-UHFFFAOYSA-N 0 0 388.456 3.193 50 0 GGAARN O=C(NCc1ccccc1)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000245257471 209218272 /nfs/dbraw/zinc/21/82/72/209218272.db2.gz ZZBJKHKHCMLXJT-IYARVYRRSA-N 0 0 391.471 3.225 50 0 GGAARN O=S(=O)(NC[C@H](c1ccoc1)N1CCSCC1)c1cccc(Cl)c1 ZINC000253400055 209216291 /nfs/dbraw/zinc/21/62/91/209216291.db2.gz KKVIJDDSMAZQDX-MRXNPFEDSA-N 0 0 386.926 3.001 50 0 GGAARN Cc1noc([C@H]2CN(C(=O)c3noc4c3CCCC4)C[C@@H]2c2ccccc2)n1 ZINC000244986271 209215892 /nfs/dbraw/zinc/21/58/92/209215892.db2.gz JNNCFXUFKXINQE-SJORKVTESA-N 0 0 378.432 3.268 50 0 GGAARN O=C(NCCc1ccc(F)cc1)C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000245039162 209215901 /nfs/dbraw/zinc/21/59/01/209215901.db2.gz OIOTZULKPMLNDG-UHFFFAOYSA-N 0 0 376.435 3.078 50 0 GGAARN O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1ccc(C(F)(F)F)nc1 ZINC000245053473 209215664 /nfs/dbraw/zinc/21/56/64/209215664.db2.gz OVXYRVZLQXQHIZ-MRXNPFEDSA-N 0 0 382.363 3.421 50 0 GGAARN CCSc1nnc(NC(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)s1 ZINC000245020863 209215457 /nfs/dbraw/zinc/21/54/57/209215457.db2.gz MKSKLDPEKAUYBL-SECBINFHSA-N 0 0 386.886 3.119 50 0 GGAARN Cc1cc(C)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccc(F)cc2)N2CCCN32)c(C)c1 ZINC000245242196 209215498 /nfs/dbraw/zinc/21/54/98/209215498.db2.gz IVHDMMPLWBVQMX-SESVDKBCSA-N 0 0 393.462 3.287 50 0 GGAARN COc1cc2c(cc1OC)[C@@H](C)N([C@H]1CC(=O)N(c3ccc(C)cc3)C1=O)CC2 ZINC000245246855 209215617 /nfs/dbraw/zinc/21/56/17/209215617.db2.gz PUMVXOHJUNWCMM-BEFAXECRSA-N 0 0 394.471 3.263 50 0 GGAARN O=C(NCc1nncn1-c1ccc(Cl)cc1)c1ccnc(OCC2CC2)c1 ZINC000244942747 209215626 /nfs/dbraw/zinc/21/56/26/209215626.db2.gz CYABNYJALZAAKY-UHFFFAOYSA-N 0 0 383.839 3.035 50 0 GGAARN COc1cc(NC(=O)Nc2ccc(N3CC(OC)C3)cc2)cc(OC)c1OC ZINC000245026743 209215631 /nfs/dbraw/zinc/21/56/31/209215631.db2.gz NJTFWPWOMYYIOY-UHFFFAOYSA-N 0 0 387.436 3.191 50 0 GGAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCn2nc3c(c2C1)CCC3 ZINC000244986041 209215413 /nfs/dbraw/zinc/21/54/13/209215413.db2.gz JDATYSXHWANNMV-LLVKDONJSA-N 0 0 380.275 3.488 50 0 GGAARN O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)Nc1ccccc1C(F)(F)F ZINC000245187649 209214714 /nfs/dbraw/zinc/21/47/14/209214714.db2.gz ZSBLEWMGMDOVBZ-AWEZNQCLSA-N 0 0 382.338 3.332 50 0 GGAARN COc1ccc(S(=O)(=O)NC[C@@H](OC)c2cc3ccccc3o2)cc1C ZINC000245053495 209214746 /nfs/dbraw/zinc/21/47/46/209214746.db2.gz OWTMGOYRMROTIB-LJQANCHMSA-N 0 0 375.446 3.416 50 0 GGAARN Cn1nc(-c2cccnc2)cc1CNC(=O)c1cc(Br)cs1 ZINC000239611699 209214779 /nfs/dbraw/zinc/21/47/79/209214779.db2.gz FAYYWHORWXQYLK-UHFFFAOYSA-N 0 0 377.267 3.236 50 0 GGAARN COc1ccc(S(=O)(=O)NC[C@H](OC)c2cc3ccccc3o2)cc1C ZINC000245053494 209214801 /nfs/dbraw/zinc/21/48/01/209214801.db2.gz OWTMGOYRMROTIB-IBGZPJMESA-N 0 0 375.446 3.416 50 0 GGAARN CN1c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2N(C)S1(=O)=O ZINC000245020877 209214585 /nfs/dbraw/zinc/21/45/85/209214585.db2.gz MLKPISYXVPNFJQ-UHFFFAOYSA-N 0 0 386.260 3.377 50 0 GGAARN COc1ccccc1N1CCN(Cc2cc(=O)oc3c(C)c(O)ccc23)CC1 ZINC000054307005 209213633 /nfs/dbraw/zinc/21/36/33/209213633.db2.gz CWABHWAZXGPIEL-UHFFFAOYSA-N 0 0 380.444 3.138 50 0 GGAARN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1nc2c(s1)CCCCC2 ZINC000062001451 209212853 /nfs/dbraw/zinc/21/28/53/209212853.db2.gz AIQMZNCANSZWTQ-NOLJZWGESA-N 0 0 394.566 3.076 50 0 biogenic GGAARN CCCCN1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(OC)cc3)[C@H]2C1=O ZINC000238901411 209212804 /nfs/dbraw/zinc/21/28/04/209212804.db2.gz MCWCAMJBHIZKEU-HSALFYBXSA-N 0 0 380.444 3.342 50 0 GGAARN CC(=O)Nc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](c3nc(C)no3)C2)c1 ZINC000253395827 209217582 /nfs/dbraw/zinc/21/75/82/209217582.db2.gz CPEHIAXUQPWPDS-VQTJNVASSA-N 0 0 390.443 3.360 50 0 GGAARN C[C@@H]1CCCN(C(=O)C2CCN(Cc3nc(Cc4ccccc4)no3)CC2)C1 ZINC000040120819 209196350 /nfs/dbraw/zinc/19/63/50/209196350.db2.gz KTNLIHHCRINKHN-QGZVFWFLSA-N 0 0 382.508 3.131 50 0 GGAARN CCCNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(C)c2C)c2ccccc2O1 ZINC000007275638 209189486 /nfs/dbraw/zinc/18/94/86/209189486.db2.gz HODWZROBLMDCQD-FQEVSTJZSA-N 0 0 381.476 3.036 50 0 GGAARN CC[C@H](C)[C@H](C(=O)NCc1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O ZINC000098038541 212075651 /nfs/dbraw/zinc/07/56/51/212075651.db2.gz NCNBHYPVQQHXRH-YCRPNKLZSA-N 0 0 396.487 3.391 50 0 GGAARN O=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000096191895 212073849 /nfs/dbraw/zinc/07/38/49/212073849.db2.gz YSLBLQGVFNSBAI-UHFFFAOYSA-N 0 0 398.637 3.028 50 0 GGAARN COc1cc2nc(N3CCN(c4cc(C)ccc4C)CC3)nc(N)c2cc1OC ZINC000006792287 212069615 /nfs/dbraw/zinc/06/96/15/212069615.db2.gz CTAKQSAYUGSBDA-UHFFFAOYSA-N 0 0 393.491 3.173 50 0 GGAARN Cc1nn(C[C@H](C)C(=O)N2CCC(=O)[C@H]3CCCC[C@@H]32)c(C)c1Br ZINC000006526416 212069490 /nfs/dbraw/zinc/06/94/90/212069490.db2.gz VZQJYNNHAWTDHK-CQDKDKBSSA-N 0 0 396.329 3.259 50 0 GGAARN COC(=O)c1ccc([C@H]2SC[C@@H]3C(=O)N(c4ccccc4)C(=S)N23)cc1 ZINC000006169709 212069240 /nfs/dbraw/zinc/06/92/40/212069240.db2.gz NWBJBWIFIWLJBG-NVXWUHKLSA-N 0 0 384.482 3.221 50 0 GGAARN O=c1[nH]c(=O)c2c([nH]1)OC(c1ccccc1)=C[C@@H]2c1ccc(Br)cc1 ZINC000003073123 212063573 /nfs/dbraw/zinc/06/35/73/212063573.db2.gz DUZUGRDLKFPXLH-CQSZACIVSA-N 0 0 397.228 3.391 50 0 GGAARN Cc1nn(C)c(C)c1CN(C)C(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000002777790 212062848 /nfs/dbraw/zinc/06/28/48/212062848.db2.gz UXOXCGLHDNZQRD-NSHDSACASA-N 0 0 391.825 3.434 50 0 GGAARN O=c1[nH]c(=O)c2c([nH]1)OC(c1ccccc1)=C[C@H]2c1ccc(Br)cc1 ZINC000003073122 212063806 /nfs/dbraw/zinc/06/38/06/212063806.db2.gz DUZUGRDLKFPXLH-AWEZNQCLSA-N 0 0 397.228 3.391 50 0 GGAARN Cn1ncc(Cl)c1CNC(=S)Nc1cnn(Cc2ccccc2Cl)c1 ZINC000002802802 212062546 /nfs/dbraw/zinc/06/25/46/212062546.db2.gz YDNWVXFBECNREA-UHFFFAOYSA-N 0 0 395.319 3.458 50 0 GGAARN CC[C@]1(C)Oc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2O1 ZINC000001423361 212060681 /nfs/dbraw/zinc/06/06/81/212060681.db2.gz HNMWJGMFFYFYKN-GOSISDBHSA-N 0 0 377.418 3.156 50 0 GGAARN Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C ZINC000002777789 212061769 /nfs/dbraw/zinc/06/17/69/212061769.db2.gz UXOXCGLHDNZQRD-LLVKDONJSA-N 0 0 391.825 3.434 50 0 GGAARN O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc(Cl)cc1Cl ZINC000001171576 212061427 /nfs/dbraw/zinc/06/14/27/212061427.db2.gz VWCIJLVNGIIZLE-UHFFFAOYSA-N 0 0 392.194 3.016 50 0 GGAARN Cc1c(C)c2ccc(O[C@H](C)C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2oc1=O ZINC000082058963 212061128 /nfs/dbraw/zinc/06/11/28/212061128.db2.gz XLNLCLWTBKGAEG-SAHWJRBASA-N 0 0 399.487 3.331 50 0 biogenic GGAARN CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)c(OC)c2)NC3=O)cc1 ZINC000001404775 212060545 /nfs/dbraw/zinc/06/05/45/212060545.db2.gz OFZXQHNRMBSSFG-GOSISDBHSA-N 0 0 379.416 3.325 50 0 GGAARN COc1ccccc1-c1n[nH]c2c1CN(C(=O)c1csc(SC)n1)CC2 ZINC000071932754 212057849 /nfs/dbraw/zinc/05/78/49/212057849.db2.gz YMYVMTGBPBMOFI-UHFFFAOYSA-N 0 0 386.502 3.462 50 0 GGAARN Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3ncccn3)C2)c2cccnc12 ZINC000299799883 212041424 /nfs/dbraw/zinc/04/14/24/212041424.db2.gz VKDMJOONTKIHAD-INIZCTEOSA-N 0 0 376.464 3.371 50 0 GGAARN C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000299804133 212041260 /nfs/dbraw/zinc/04/12/60/212041260.db2.gz BMSROUVLRAQRBY-SIASCGCXSA-N 0 0 394.596 3.356 50 0 GGAARN COc1cccc([C@H]2CCCN2C(=O)Nc2ccc(-n3nnnc3C)cc2)c1 ZINC000299801997 212040788 /nfs/dbraw/zinc/04/07/88/212040788.db2.gz ZNZVAHJVHPCALV-LJQANCHMSA-N 0 0 378.436 3.348 50 0 GGAARN COc1cc(NC(=O)NCc2ccc3c(c2)nc(C)n3C)cc(OC)c1OC ZINC000299791788 212038973 /nfs/dbraw/zinc/03/89/73/212038973.db2.gz HYBZOGDDOKYTKG-UHFFFAOYSA-N 0 0 384.436 3.229 50 0 GGAARN CCN(CC)C(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1COC ZINC000299795220 212038701 /nfs/dbraw/zinc/03/87/01/212038701.db2.gz MKRBPKIXLPALRE-UHFFFAOYSA-N 0 0 385.493 3.328 50 0 GGAARN COC(=O)N1CCCc2cc(NC(=O)N3CCC[C@@H]3Cn3cccn3)ccc21 ZINC000299793478 212038499 /nfs/dbraw/zinc/03/84/99/212038499.db2.gz GHTUDKZQCMWZQL-QGZVFWFLSA-N 0 0 383.452 3.099 50 0 GGAARN COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CN1 ZINC000299788619 212038613 /nfs/dbraw/zinc/03/86/13/212038613.db2.gz YPTRWNDNHIKKTJ-PBHICJAKSA-N 0 0 392.377 3.006 50 0 GGAARN CCOC(=O)c1cc(NC(=O)NCCc2nncn2C(C)C)ccc1Cl ZINC000299794118 212038405 /nfs/dbraw/zinc/03/84/05/212038405.db2.gz IBSMSSGQFFRNOD-UHFFFAOYSA-N 0 0 379.848 3.053 50 0 GGAARN O=C([C@@H]1CC(=O)OC12CCCCC2)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000299779638 212037804 /nfs/dbraw/zinc/03/78/04/212037804.db2.gz RFCDSIJRWFBDFF-SFHVURJKSA-N 0 0 375.440 3.462 50 0 GGAARN CCCOc1c(Cl)cccc1NC(=O)N1CCN(c2cnccn2)CC1 ZINC000299787257 212037829 /nfs/dbraw/zinc/03/78/29/212037829.db2.gz PWWRHHFLQVKCKL-UHFFFAOYSA-N 0 0 375.860 3.273 50 0 GGAARN Cc1nc(C2CCN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)CC2)cc(=O)[nH]1 ZINC000299787766 212037497 /nfs/dbraw/zinc/03/74/97/212037497.db2.gz YTCSXINRYIUFCO-UHFFFAOYSA-N 0 0 378.436 3.292 50 0 GGAARN COc1cccc(-c2cccc(C(=O)NC3CCN(C(=O)C4CC4)CC3)c2)c1 ZINC000299783754 212037688 /nfs/dbraw/zinc/03/76/88/212037688.db2.gz YBQZSBFULTWWRW-UHFFFAOYSA-N 0 0 378.472 3.493 50 0 GGAARN O=C(CNC(=O)c1cccc(-c2cccc(OC(F)(F)F)c2)c1)NC1CC1 ZINC000299800031 212040297 /nfs/dbraw/zinc/04/02/97/212040297.db2.gz ZBFYGRNBUHPIBH-UHFFFAOYSA-N 0 0 378.350 3.261 50 0 GGAARN COc1ccc(C[C@@]2(CCC(=O)N3CCc4ccccc4C3)CCC(=O)N2)cc1 ZINC000299796390 212039613 /nfs/dbraw/zinc/03/96/13/212039613.db2.gz NOICSHSLBPAPNQ-DEOSSOPVSA-N 0 0 392.499 3.252 50 0 GGAARN C[C@@H](NC(=O)c1cnc(Nc2ccccc2)nc1)c1nncn1C1CCCC1 ZINC000299791355 212039681 /nfs/dbraw/zinc/03/96/81/212039681.db2.gz DEGFPOLXBUDUEX-CQSZACIVSA-N 0 0 377.452 3.418 50 0 GGAARN O=C(NCCc1csc(-c2ncccn2)n1)c1c[nH]nc1C1CCCCC1 ZINC000299796259 212039685 /nfs/dbraw/zinc/03/96/85/212039685.db2.gz NLADGHIHYWHZNB-UHFFFAOYSA-N 0 0 382.493 3.343 50 0 GGAARN COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccn2)CN1CCC1=C(C)CCCC1(C)C ZINC000299789497 212039361 /nfs/dbraw/zinc/03/93/61/212039361.db2.gz YLZFZTPDEJKBOO-XLIONFOSSA-N 0 0 399.535 3.344 50 0 GGAARN Cc1n[nH]c(C)c1CCCNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000299795118 212039386 /nfs/dbraw/zinc/03/93/86/212039386.db2.gz KPCGQVPODUHKPC-UHFFFAOYSA-N 0 0 383.496 3.407 50 0 GGAARN CSc1nccc(-c2cc3c(c(Cl)c2)O[C@@H](CNC(=O)C2CC2)C3)n1 ZINC000299788628 212039453 /nfs/dbraw/zinc/03/94/53/212039453.db2.gz VVPGGRYBSNUUKE-CYBMUJFWSA-N 0 0 375.881 3.349 50 0 GGAARN COC(=O)c1c(NC(=O)c2ccoc2)c2cc(N)cnc2n1Cc1ccccc1 ZINC000299794264 212039494 /nfs/dbraw/zinc/03/94/94/212039494.db2.gz IQNMXVSALVCDOB-UHFFFAOYSA-N 0 0 390.399 3.299 50 0 GGAARN O=C(C=Cc1c[nH]cn1)N1CCC(n2c3ncccc3nc2C2CCC2)CC1 ZINC000299788994 212039142 /nfs/dbraw/zinc/03/91/42/212039142.db2.gz ZHBBLGALKQEGJS-VOTSOKGWSA-N 0 0 376.464 3.299 50 0 GGAARN Cc1cc2nc(CN(C)C(=O)c3cc(C(C)C)n4ncnc4n3)[nH]c2cc1C ZINC000299795289 212039206 /nfs/dbraw/zinc/03/92/06/212039206.db2.gz LFAAPTOFDZRLCL-UHFFFAOYSA-N 0 0 377.452 3.013 50 0 GGAARN O=C([C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1)N1CCc2c(Cl)cccc2C1 ZINC000299778082 212035587 /nfs/dbraw/zinc/03/55/87/212035587.db2.gz IJFQKDPMLWHHHG-FQEVSTJZSA-N 0 0 398.846 3.341 50 0 GGAARN O=C(CC1=CSC2=NCCCN12)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000299774678 212035127 /nfs/dbraw/zinc/03/51/27/212035127.db2.gz HUEYXASUXHZUQE-MRXNPFEDSA-N 0 0 377.897 3.280 50 0 GGAARN CCn1cc(-c2cccc(C(=O)N(CCO)Cc3ccccc3OC)c2)cn1 ZINC000299773285 212035177 /nfs/dbraw/zinc/03/51/77/212035177.db2.gz CXBZPOKMYRWCEZ-UHFFFAOYSA-N 0 0 379.460 3.213 50 0 GGAARN O=C(NCc1nnc(-c2ccccc2)o1)[C@H]1CC(CCc2ccccc2)=NO1 ZINC000299774028 212035242 /nfs/dbraw/zinc/03/52/42/212035242.db2.gz DWVUSDZJUAELSB-GOSISDBHSA-N 0 0 376.416 3.131 50 0 GGAARN COc1ccc2c(c1)[C@H](C)N(C(=O)CCn1c(CO)nc3ccccc31)CC2 ZINC000299777846 212035290 /nfs/dbraw/zinc/03/52/90/212035290.db2.gz PILMTGIESYLNSX-HNNXBMFYSA-N 0 0 379.460 3.073 50 0 GGAARN O=C(c1cccc(-c2cc(=O)[nH]cn2)c1)N1CCCC[C@@H]1CCn1cccn1 ZINC000299779073 212035311 /nfs/dbraw/zinc/03/53/11/212035311.db2.gz PSSYUTRTRKXRBH-GOSISDBHSA-N 0 0 377.448 3.131 50 0 GGAARN O=C(NCc1nnc(-c2ccccc2)o1)[C@@H]1CC(CCc2ccccc2)=NO1 ZINC000299774029 212034919 /nfs/dbraw/zinc/03/49/19/212034919.db2.gz DWVUSDZJUAELSB-SFHVURJKSA-N 0 0 376.416 3.131 50 0 GGAARN CC(=O)N1CCC(CNC(=O)c2ccccc2OCCc2ccccc2)CC1 ZINC000299771450 212034831 /nfs/dbraw/zinc/03/48/31/212034831.db2.gz XJLKZNAQFCBDAK-UHFFFAOYSA-N 0 0 380.488 3.296 50 0 GGAARN CCc1nnc(CNC(=O)Nc2cccc(C(=O)NC(C)(C)C)c2C)s1 ZINC000299773990 212034533 /nfs/dbraw/zinc/03/45/33/212034533.db2.gz HIYZRGFNYIKBKJ-UHFFFAOYSA-N 0 0 375.498 3.259 50 0 GGAARN Cc1cc(C[C@@H](C)NC(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)[nH]n1 ZINC000299775821 212034580 /nfs/dbraw/zinc/03/45/80/212034580.db2.gz KFPZTXRUACAPMN-OAHLLOKOSA-N 0 0 383.496 3.487 50 0 GGAARN CCn1ncc(CNC(=O)Nc2cc(N3CCOCC3)ccc2Cl)c1C ZINC000299778445 212034431 /nfs/dbraw/zinc/03/44/31/212034431.db2.gz PSDGCVMNYALBDY-UHFFFAOYSA-N 0 0 377.876 3.023 50 0 GGAARN CCc1nnc(-c2ccc(OC)c(NC(=O)NCCc3c(C)n[nH]c3C)c2)o1 ZINC000299780643 212037346 /nfs/dbraw/zinc/03/73/46/212037346.db2.gz KRQVCUQAMLGQKJ-UHFFFAOYSA-N 0 0 384.440 3.012 50 0 GGAARN COCC1(CNC(=O)c2cccc(-c3ncc(C)c(N(C)C)n3)c2)CCCC1 ZINC000299781288 212037447 /nfs/dbraw/zinc/03/74/47/212037447.db2.gz LEKBXGUEGDYUNW-UHFFFAOYSA-N 0 0 382.508 3.455 50 0 GGAARN CCc1csc(CNC(=O)c2cccc(-c3c(C)n[nH]c3C(=O)OC)c2)n1 ZINC000299783441 212037192 /nfs/dbraw/zinc/03/71/92/212037192.db2.gz YDQLHVPFNPMBRJ-UHFFFAOYSA-N 0 0 384.461 3.121 50 0 GGAARN CCO[C@H]1COC[C@@H]1NC(=O)Nc1ccc(-c2cn3ccc(C)cc3n2)cc1 ZINC000299781453 212037322 /nfs/dbraw/zinc/03/73/22/212037322.db2.gz ULBPYFUEFZUVGA-OALUTQOASA-N 0 0 380.448 3.235 50 0 GGAARN Cc1cccc(C[C@H](C)NC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)n1 ZINC000299784096 212037107 /nfs/dbraw/zinc/03/71/07/212037107.db2.gz WJPHVOSYIDKBME-KRWDZBQOSA-N 0 0 380.492 3.308 50 0 GGAARN O=C([C@H]1CC(=O)OC12CCCCC2)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000299779629 212036836 /nfs/dbraw/zinc/03/68/36/212036836.db2.gz RFCDSIJRWFBDFF-GOSISDBHSA-N 0 0 375.440 3.462 50 0 GGAARN CCCCn1nccc1NC(=O)N1CCC2(CC1)c1ccccc1N(C)C2=O ZINC000299781579 212036872 /nfs/dbraw/zinc/03/68/72/212036872.db2.gz DUTRRNALYKRDPA-UHFFFAOYSA-N 0 0 381.480 3.225 50 0 GGAARN Cc1cccn2cc(CN3CCN(C(=O)CCC4CCCC4)CCC3=O)nc12 ZINC000299783803 212036740 /nfs/dbraw/zinc/03/67/40/212036740.db2.gz XHBXADFMLPXBAM-UHFFFAOYSA-N 0 0 382.508 3.174 50 0 GGAARN CC[C@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCC(C)CC2)c1=O ZINC000299786836 212036530 /nfs/dbraw/zinc/03/65/30/212036530.db2.gz NXSFXPXAGIWQKM-INIZCTEOSA-N 0 0 387.524 3.364 50 0 GGAARN Cc1nc(C)n(CCCNC(=O)c2cccc(-c3cn(C(F)F)nc3C)c2)n1 ZINC000299778592 212035822 /nfs/dbraw/zinc/03/58/22/212035822.db2.gz PUERCZASLGXSSH-UHFFFAOYSA-N 0 0 388.422 3.282 50 0 GGAARN Cc1ccc(CN2CCN(C(=O)Nc3cc(C(C)C)nn3C)CC2=O)cc1C ZINC000299773028 212035983 /nfs/dbraw/zinc/03/59/83/212035983.db2.gz ACBMAOZKZZUJLC-UHFFFAOYSA-N 0 0 383.496 3.037 50 0 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GJBJAFXMLXJELB-UHFFFAOYSA-N 0 0 390.557 3.313 50 0 GGAARN CCSc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)o2)s1 ZINC000008334690 211595435 /nfs/dbraw/zinc/59/54/35/211595435.db2.gz NWMBFSNBOMHNAL-UHFFFAOYSA-N 0 0 393.519 3.355 50 0 GGAARN COc1ccc2c(C)c(CCC(=O)Nc3ccccc3C(N)=O)c(=O)oc2c1C ZINC000008490987 211597719 /nfs/dbraw/zinc/59/77/19/211597719.db2.gz AEFUFDNNABBLHY-UHFFFAOYSA-N 0 0 394.427 3.089 50 0 biogenic GGAARN COc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3F)c2)cc1OC ZINC000007594274 211586534 /nfs/dbraw/zinc/58/65/34/211586534.db2.gz QGKDPUFNXPXBGV-UHFFFAOYSA-N 0 0 382.391 3.305 50 0 GGAARN Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccncc2)c1 ZINC000006697768 211578533 /nfs/dbraw/zinc/57/85/33/211578533.db2.gz HXCQEAIEWWNNAD-UHFFFAOYSA-N 0 0 395.484 3.429 50 0 GGAARN CC[C@H](Sc1nncn1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000006355831 211575484 /nfs/dbraw/zinc/57/54/84/211575484.db2.gz JTBYBWFOZUAKKR-NSHDSACASA-N 0 0 394.913 3.496 50 0 GGAARN CCCc1cc(=O)[nH]c(SCCCCSc2nc(CCC)cc(=O)[nH]2)n1 ZINC000005884020 211572296 /nfs/dbraw/zinc/57/22/96/211572296.db2.gz JHLGVTKEHNPRIA-UHFFFAOYSA-N 0 0 394.566 3.423 50 0 GGAARN COC(=O)c1ccc(NC(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)cc1 ZINC000006623885 211577284 /nfs/dbraw/zinc/57/72/84/211577284.db2.gz PRKIAYHOGDVNCM-UHFFFAOYSA-N 0 0 395.411 3.468 50 0 biogenic GGAARN CC(C)(C)n1nc2c(c1NC(=O)C(=O)NCc1ccc(Cl)cc1)CSC2 ZINC000005438245 211567011 /nfs/dbraw/zinc/56/70/11/211567011.db2.gz GQZUJDCZKOPZSI-UHFFFAOYSA-N 0 0 392.912 3.293 50 0 GGAARN CCS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000005372312 211566290 /nfs/dbraw/zinc/56/62/90/211566290.db2.gz MQDWQEFPJMUQEF-UHFFFAOYSA-N 0 0 385.445 3.399 50 0 GGAARN CC1(C)C[C@@H](NC(=O)c2cccnc2)C[C@@](C)(CNC(=O)c2cccnc2)C1 ZINC000005915041 211571955 /nfs/dbraw/zinc/57/19/55/211571955.db2.gz OSUYSACRXZLROR-XMSQKQJNSA-N 0 0 380.492 3.221 50 0 GGAARN Cc1ccc(NC(=O)CSc2nnc3ccc(-c4cccnc4)nn32)cc1 ZINC000005168420 211562345 /nfs/dbraw/zinc/56/23/45/211562345.db2.gz MGPZMVCQTVVRDI-UHFFFAOYSA-N 0 0 376.445 3.226 50 0 GGAARN CCCn1c(=O)c2c(nc3n2c(C)c(C)n3-c2ccc(C)c(Cl)c2)n(C)c1=O ZINC000005251803 211562110 /nfs/dbraw/zinc/56/21/10/211562110.db2.gz MPHHVGIURJSBMV-UHFFFAOYSA-N 0 0 399.882 3.127 50 0 GGAARN CCOC(=O)c1c(C)[nH]c(C(=O)C(=O)NCc2cccnc2)c1-c1ccccc1 ZINC000005266566 211565089 /nfs/dbraw/zinc/56/50/89/211565089.db2.gz YEVYJIJKDYJPHZ-UHFFFAOYSA-N 0 0 391.427 3.061 50 0 GGAARN CCSc1cccc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c1 ZINC000005241055 211564862 /nfs/dbraw/zinc/56/48/62/211564862.db2.gz NCGLQJPFRHKHDB-UHFFFAOYSA-N 0 0 393.515 3.308 50 0 GGAARN CCOc1ccc(N2C[C@H](NC(=O)Nc3ccc(F)cc3F)CC2=O)cc1 ZINC000005192775 211563684 /nfs/dbraw/zinc/56/36/84/211563684.db2.gz CZAAOEWJBKAKAT-CYBMUJFWSA-N 0 0 375.375 3.291 50 0 GGAARN CCOc1ccc(N2C[C@H](NC(=O)NCc3ccccc3Cl)CC2=O)cc1 ZINC000005192381 211562894 /nfs/dbraw/zinc/56/28/94/211562894.db2.gz PALXUVQLKGXUQA-OAHLLOKOSA-N 0 0 387.867 3.343 50 0 GGAARN CCCC[C@H](CC)C[NH2+][C@H](CC(=O)Nc1ccc(OC)cc1OC)C(=O)[O-] ZINC000005258346 211562981 /nfs/dbraw/zinc/56/29/81/211562981.db2.gz ONTBQPGIONSDIY-WMLDXEAASA-N 0 0 380.485 3.292 50 0 GGAARN O=C(CCN1C(=O)c2cccc3cccc(c32)C1=O)OCCCc1ccncc1 ZINC000004854932 211551651 /nfs/dbraw/zinc/55/16/51/211551651.db2.gz LZFKWFRGBQOESF-UHFFFAOYSA-N 0 0 388.423 3.397 50 0 GGAARN COc1cc(/C=C/C(=O)Nc2c3ccccc3oc2C(N)=O)cc(OC)c1OC ZINC000004851949 211551170 /nfs/dbraw/zinc/55/11/70/211551170.db2.gz BNSCKDGHGCIUMS-CMDGGOBGSA-N 0 0 396.399 3.209 50 0 GGAARN O=C(CSc1nccn(-c2ccc(F)c(F)c2)c1=O)Nc1ccc(F)cc1 ZINC000004853342 211550735 /nfs/dbraw/zinc/55/07/35/211550735.db2.gz XGLHAOGGSFTJNM-UHFFFAOYSA-N 0 0 391.374 3.381 50 0 GGAARN COc1cccc(N2C[C@@H](NC(=O)Nc3nc4ccccc4s3)CC2=O)c1 ZINC000004373397 211542530 /nfs/dbraw/zinc/54/25/30/211542530.db2.gz DBCGDYCKRABVDL-LBPRGKRZSA-N 0 0 382.445 3.232 50 0 GGAARN C[C@H](Oc1ccccc1)C(=O)Oc1coc(CSc2ncccn2)cc1=O ZINC000004377310 211542074 /nfs/dbraw/zinc/54/20/74/211542074.db2.gz BUTKFWWYSVJZCO-ZDUSSCGKSA-N 0 0 384.413 3.095 50 0 GGAARN CNC(=O)c1c2c(sc1NC(=O)c1coc3ccccc3c1=O)CCCC2 ZINC000004326430 211541027 /nfs/dbraw/zinc/54/10/27/211541027.db2.gz SLIPFUJKZKDYKN-UHFFFAOYSA-N 0 0 382.441 3.345 50 0 GGAARN CCOc1ccc(NC(=O)c2cccn(OCc3ccccc3F)c2=O)cc1 ZINC000004326105 211541081 /nfs/dbraw/zinc/54/10/81/211541081.db2.gz JXHCOTLPIMPKNE-UHFFFAOYSA-N 0 0 382.391 3.267 50 0 GGAARN CCOCCn1ccc2c(OCC(=O)Nc3ccccc3F)cccc2c1=O ZINC000004584400 211548097 /nfs/dbraw/zinc/54/80/97/211548097.db2.gz HSLHHPQXMRRAKO-UHFFFAOYSA-N 0 0 384.407 3.195 50 0 GGAARN Cc1ccc(NC(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004569327 211547619 /nfs/dbraw/zinc/54/76/19/211547619.db2.gz BBTXLDWOSBDXQI-SFHVURJKSA-N 0 0 387.505 3.278 50 0 GGAARN CS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)c1 ZINC000004517946 211547022 /nfs/dbraw/zinc/54/70/22/211547022.db2.gz DCFDCNNCULIPMW-UHFFFAOYSA-N 0 0 377.809 3.046 50 0 GGAARN O=C1C(Cl)=C(NCc2ccc(Cl)cc2)C(=O)N1CCc1ccccc1 ZINC000004482937 211546692 /nfs/dbraw/zinc/54/66/92/211546692.db2.gz AGOXKLLBVWXOAD-UHFFFAOYSA-N 0 0 375.255 3.492 50 0 GGAARN Cc1ccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccccc3)o2)c(C)c1 ZINC000004479476 211546105 /nfs/dbraw/zinc/54/61/05/211546105.db2.gz IZWOVYZDRAHXLU-UHFFFAOYSA-N 0 0 385.445 3.156 50 0 GGAARN COc1ccc(N2C[C@@H](NC(=O)N[C@@H](C)CCc3ccccc3)CC2=O)cc1 ZINC000004479588 211545481 /nfs/dbraw/zinc/54/54/81/211545481.db2.gz RYMUXLJIHCBWJO-WMZOPIPTSA-N 0 0 381.476 3.121 50 0 GGAARN O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)c1ccccc1Cl ZINC000004224337 211538909 /nfs/dbraw/zinc/53/89/09/211538909.db2.gz RTWBVJUEMFSAAI-UHFFFAOYSA-N 0 0 387.848 3.206 50 0 GGAARN Cc1ccn2c(c1)nc(SCC(=O)Nc1ccc(C(F)(F)F)cc1)nc2=O ZINC000004503847 211543427 /nfs/dbraw/zinc/54/34/27/211543427.db2.gz UPVHKAXGWQYMTN-UHFFFAOYSA-N 0 0 394.378 3.148 50 0 GGAARN Cc1cn2c3c(nc2n1-c1cccc(Cl)c1C)n(C)c(=O)n(CC(C)C)c3=O ZINC000004250674 211537436 /nfs/dbraw/zinc/53/74/36/211537436.db2.gz XGPNSFNOVANHFB-UHFFFAOYSA-N 0 0 399.882 3.065 50 0 GGAARN CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3cccc(Cl)c3)n21 ZINC000004250310 211537174 /nfs/dbraw/zinc/53/71/74/211537174.db2.gz VZZNWGQOEPMMCM-UHFFFAOYSA-N 0 0 377.857 3.167 50 0 GGAARN Cc1ccc(-n2nnc3c2ncnc3SCC(=O)Nc2cccc(F)c2)cc1 ZINC000004166617 211535721 /nfs/dbraw/zinc/53/57/21/211535721.db2.gz AFWMNVWPCXQTOX-UHFFFAOYSA-N 0 0 394.435 3.389 50 0 GGAARN O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)NC1CCCCC1 ZINC000004164425 211533435 /nfs/dbraw/zinc/53/34/35/211533435.db2.gz VCGGIEQHHIIRNY-UHFFFAOYSA-N 0 0 385.468 3.471 50 0 GGAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C)C[S@](=O)C3)cc1 ZINC000004106020 211532268 /nfs/dbraw/zinc/53/22/68/211532268.db2.gz AYSLVVJEYJRARR-HHHXNRCGSA-N 0 0 381.457 3.204 50 0 GGAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2F)C[S@](=O)C3)cc1 ZINC000004106057 211531694 /nfs/dbraw/zinc/53/16/94/211531694.db2.gz HPYMACCBICYDDN-HHHXNRCGSA-N 0 0 385.420 3.035 50 0 GGAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2ccccc21 ZINC000004046096 211529622 /nfs/dbraw/zinc/52/96/22/211529622.db2.gz OQHDZWRBURQDDM-QFBILLFUSA-N 0 0 384.819 3.447 50 0 biogenic GGAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000003200399 211520416 /nfs/dbraw/zinc/52/04/16/211520416.db2.gz ZWBBYHGENDYDJG-UHFFFAOYSA-N 0 0 396.406 3.465 50 0 GGAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C)C[S@@](=O)C3)cc1 ZINC000002724952 211518981 /nfs/dbraw/zinc/51/89/81/211518981.db2.gz AYSLVVJEYJRARR-MHZLTWQESA-N 0 0 381.457 3.204 50 0 GGAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NC2CCCCC2)c2ccccc21 ZINC000003007575 211518554 /nfs/dbraw/zinc/51/85/54/211518554.db2.gz RLCMAZIBGZHKTN-UHFFFAOYSA-N 0 0 383.492 3.141 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(C)cc2)cc1 ZINC000002711648 211516719 /nfs/dbraw/zinc/51/67/19/211516719.db2.gz OHUVOKJMHWGWLM-UHFFFAOYSA-N 0 0 376.503 3.297 50 0 GGAARN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(cc(F)cc3F)s2)cc1 ZINC000002723740 211516025 /nfs/dbraw/zinc/51/60/25/211516025.db2.gz DJZJFZCYDJKUDF-UHFFFAOYSA-N 0 0 397.428 3.077 50 0 GGAARN CC[C@H](C(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O)c1ccccc1 ZINC000004032802 211527003 /nfs/dbraw/zinc/52/70/03/211527003.db2.gz OFFSRSSBXMJMNM-KRWDZBQOSA-N 0 0 394.471 3.398 50 0 GGAARN CN1CCc2c3ccccc3n(C[C@@H](O)CNc3ccc(Cl)cc3)c2C1=O ZINC000003999714 211524981 /nfs/dbraw/zinc/52/49/81/211524981.db2.gz AGVDBOQYKWMILS-INIZCTEOSA-N 0 0 383.879 3.396 50 0 biogenic GGAARN COc1ccc(OC)c(NC(=O)CCC(=O)Nc2nnc(C(C)C)s2)c1 ZINC000002420237 211515268 /nfs/dbraw/zinc/51/52/68/211515268.db2.gz GDAROFKDFFINMY-UHFFFAOYSA-N 0 0 378.454 3.036 50 0 GGAARN COc1ccc(OC)c(NC(=O)CCCCN2C(=O)c3ccccc3C2=O)c1 ZINC000002279412 211514535 /nfs/dbraw/zinc/51/45/35/211514535.db2.gz VSHWPGBYVJNLCC-UHFFFAOYSA-N 0 0 382.416 3.109 50 0 GGAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)CCNC(=O)OC(C)(C)C)c12 ZINC000002092106 211512993 /nfs/dbraw/zinc/51/29/93/211512993.db2.gz YFTMYJXTGKIEAR-UHFFFAOYSA-N 0 0 375.421 3.484 50 0 biogenic GGAARN COc1ccc(Cl)cc1NC(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC000001961326 211511729 /nfs/dbraw/zinc/51/17/29/211511729.db2.gz HCUKPXGXDZUNES-UHFFFAOYSA-N 0 0 377.853 3.376 50 0 GGAARN Cc1ccc2oc(-c3ccccc3)c(OCC(=O)N3CCOCC3)c(=O)c2c1 ZINC000001941722 211511613 /nfs/dbraw/zinc/51/16/13/211511613.db2.gz LRWSIANLUZVYJX-UHFFFAOYSA-N 0 0 379.412 3.006 50 0 GGAARN CC[C@@H](C)OC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000001321094 211504247 /nfs/dbraw/zinc/50/42/47/211504247.db2.gz LPZYVJLSBLHTRJ-NEPJUHHUSA-N 0 0 377.510 3.346 50 0 GGAARN COC(=O)CN1C(=O)S/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O ZINC000001157383 211502453 /nfs/dbraw/zinc/50/24/53/211502453.db2.gz UMSGLDGTQOTYDS-QCDXTXTGSA-N 0 0 395.234 3.140 50 0 GGAARN O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCc1cccc(F)c1 ZINC000001076309 211502072 /nfs/dbraw/zinc/50/20/72/211502072.db2.gz IAHLDGAEENVTIB-UHFFFAOYSA-N 0 0 382.174 3.472 50 0 GGAARN COc1cc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc(OC)c1OC ZINC000000955468 211499599 /nfs/dbraw/zinc/49/95/99/211499599.db2.gz GUYPQBRURCPJRV-UHFFFAOYSA-N 0 0 393.823 3.470 50 0 GGAARN COc1cccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1 ZINC000000817147 211490563 /nfs/dbraw/zinc/49/05/63/211490563.db2.gz 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Cc1nccn1Cc1nnc(C2CCN(Cc3c(F)cccc3F)CC2)n1C ZINC000096147970 211310560 /nfs/dbraw/zinc/31/05/60/211310560.db2.gz WXRVNCATWZIMRX-UHFFFAOYSA-N 0 0 386.450 3.026 50 0 GGAARN Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)NCCN1CCCOC1=O ZINC000096148685 211310333 /nfs/dbraw/zinc/31/03/33/211310333.db2.gz YWPORHNSXSSNHB-UHFFFAOYSA-N 0 0 389.481 3.142 50 0 GGAARN O=C(NCCN1CCCOC1=O)Nc1ccc(OCc2cccs2)cc1 ZINC000096149261 211310197 /nfs/dbraw/zinc/31/01/97/211310197.db2.gz PINKMACZRGKCRC-UHFFFAOYSA-N 0 0 375.450 3.291 50 0 GGAARN CC[C@H](NC(=O)Nc1c(-c2ccccc2OC)c(C)nn1C)c1ccnn1C ZINC000096149065 211309969 /nfs/dbraw/zinc/30/99/69/211309969.db2.gz PLZXPSNTUOQITF-HNNXBMFYSA-N 0 0 382.468 3.410 50 0 GGAARN CCc1nc(CCNC(=O)Nc2cc(NC(=O)C3CCCC3)ccc2C)no1 ZINC000096148302 211309622 /nfs/dbraw/zinc/30/96/22/211309622.db2.gz NEFSXYZIQOPSGU-UHFFFAOYSA-N 0 0 385.468 3.433 50 0 GGAARN NC(=O)c1ccc(-c2nc(CCc3cnccn3)n(C3CCCCC3)n2)cc1 ZINC000096148430 211309535 /nfs/dbraw/zinc/30/95/35/211309535.db2.gz JSJUSRJSWYASCD-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/32/16/19/211321619.db2.gz PUFVFLWUGLRHSB-UHFFFAOYSA-N 0 0 384.476 3.066 50 0 GGAARN O=C1C[C@H](c2ccc(OCCn3cccn3)cc2)c2c3nsnc3ccc2N1 ZINC000096231068 211321683 /nfs/dbraw/zinc/32/16/83/211321683.db2.gz YDEMPXJDSAVTLL-OAHLLOKOSA-N 0 0 391.456 3.441 50 0 GGAARN CC(C)n1c(CCNC(=O)c2cn(C)c(=O)c3ccccc23)nc2ccccc21 ZINC000096230760 211321703 /nfs/dbraw/zinc/32/17/03/211321703.db2.gz SIJOAXGSRMFGSZ-UHFFFAOYSA-N 0 0 388.471 3.442 50 0 GGAARN CC(C)n1nnc(-c2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc2)n1 ZINC000096231012 211321425 /nfs/dbraw/zinc/32/14/25/211321425.db2.gz KENDCHYWJLKCCK-LJQANCHMSA-N 0 0 377.448 3.135 50 0 GGAARN COc1ccc2occ([C@H]3CC(=O)Oc4ccc5nsnc5c43)c(=O)c2c1 ZINC000096232581 211321443 /nfs/dbraw/zinc/32/14/43/211321443.db2.gz PSMFCOYAZZIRCZ-SNVBAGLBSA-N 0 0 380.381 3.247 50 0 GGAARN CCCCn1cnc2cc(NC(=O)[C@H](Cc3ccccc3)n3cnnn3)ccc21 ZINC000096230865 211321503 /nfs/dbraw/zinc/32/15/03/211321503.db2.gz KAZURWWUJCTFKY-FQEVSTJZSA-N 0 0 389.463 3.245 50 0 GGAARN O=C(N[C@@H]1CCCc2c3cc(F)ccc3[nH]c21)C1(n2cnnn2)CCCCC1 ZINC000096231872 211321510 /nfs/dbraw/zinc/32/15/10/211321510.db2.gz ABLWFFODBBOSFT-QGZVFWFLSA-N 0 0 382.443 3.147 50 0 GGAARN CC(C)n1c(CCCNC(=O)c2ccc3c(c2)NC(=O)CO3)nc2ccccc21 ZINC000096231357 211321527 /nfs/dbraw/zinc/32/15/27/211321527.db2.gz JMCROEVQBITYGF-UHFFFAOYSA-N 0 0 392.459 3.311 50 0 GGAARN CC(C)Cc1sc(Cl)nc1C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000096232496 211321353 /nfs/dbraw/zinc/32/13/53/211321353.db2.gz PAEBOKKNBIWMGJ-UHFFFAOYSA-N 0 0 393.822 3.261 50 0 GGAARN COc1cc2c(cc1OC)CN(C(=O)c1[nH]nc3c1COc1ccccc1-3)CC2 ZINC000096220872 211320413 /nfs/dbraw/zinc/32/04/13/211320413.db2.gz NXVFPSOYTLVGJR-UHFFFAOYSA-N 0 0 391.427 3.185 50 0 biogenic GGAARN Cc1cc(NC(=O)NCCc2nc(-c3ccccn3)no2)n(C2CCCC2)n1 ZINC000096131772 211305134 /nfs/dbraw/zinc/30/51/34/211305134.db2.gz WQLOLBXPGNEHTO-UHFFFAOYSA-N 0 0 381.440 3.116 50 0 GGAARN CCc1nn(C)c(NC(=O)N[C@H](C)c2ncnn2CC)c1-c1ccc(F)cc1 ZINC000096133636 211304884 /nfs/dbraw/zinc/30/48/84/211304884.db2.gz OYFMLYXBSNPZLW-GFCCVEGCSA-N 0 0 385.447 3.283 50 0 GGAARN CCCCn1nc(-c2ccncc2)nc1[C@@H]1CC(=O)N(Cc2ccncc2)C1 ZINC000096131180 211304781 /nfs/dbraw/zinc/30/47/81/211304781.db2.gz ZSAIRGGYQNSNEK-GOSISDBHSA-N 0 0 376.464 3.051 50 0 GGAARN Cn1c(=O)oc2cc(NC(=O)N(Cc3ccsc3)C[C@H]3CCCO3)ccc21 ZINC000096132962 211304853 /nfs/dbraw/zinc/30/48/53/211304853.db2.gz NWUZYYYINSHQBG-OAHLLOKOSA-N 0 0 387.461 3.406 50 0 GGAARN COC(=O)c1ccc(NC(=O)N(C)Cc2nc(CC(C)C)no2)cc1Cl ZINC000096132828 211304597 /nfs/dbraw/zinc/30/45/97/211304597.db2.gz YLJQUKJPRGKGKV-UHFFFAOYSA-N 0 0 380.832 3.372 50 0 GGAARN O=C(NCc1cc(-c2ccco2)on1)Nc1ccccc1CN1CCOCC1 ZINC000096130657 211304216 /nfs/dbraw/zinc/30/42/16/211304216.db2.gz KJCFMQDUWUPNCD-UHFFFAOYSA-N 0 0 382.420 3.089 50 0 GGAARN Cn1c(=O)oc2cc(NC(=O)N(Cc3ccsc3)C[C@@H]3CCCO3)ccc21 ZINC000096132961 211304402 /nfs/dbraw/zinc/30/44/02/211304402.db2.gz NWUZYYYINSHQBG-HNNXBMFYSA-N 0 0 387.461 3.406 50 0 GGAARN O=C(Nc1cccc2n[nH]nc21)N(CCOc1ccccc1)C[C@@H]1CCCO1 ZINC000096132756 211304453 /nfs/dbraw/zinc/30/44/53/211304453.db2.gz JSFIHUDITXETSM-INIZCTEOSA-N 0 0 381.436 3.050 50 0 GGAARN Cc1nc2cc(CNC(=O)Nc3ccccc3CN3CCOCC3)ccc2[nH]1 ZINC000096130369 211304130 /nfs/dbraw/zinc/30/41/30/211304130.db2.gz NJVICPHXNTXHQU-UHFFFAOYSA-N 0 0 379.464 3.025 50 0 GGAARN COCCN(Cc1nccs1)C(=O)Nc1cccc(N2C(=O)CC[C@@H]2C)c1 ZINC000096131846 211304179 /nfs/dbraw/zinc/30/41/79/211304179.db2.gz VHEVEWRXUOQEAS-AWEZNQCLSA-N 0 0 388.493 3.339 50 0 GGAARN O=C(Nc1ccc2c(c1)COC2=O)N[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000096131460 211304056 /nfs/dbraw/zinc/30/40/56/211304056.db2.gz RQUURHCPQGMUMT-SFHVURJKSA-N 0 0 383.423 3.282 50 0 GGAARN C[C@@H](Cn1cncn1)c1nc(C2(c3ccccc3)CC2)nn1CC(F)(F)F ZINC000096132700 211303714 /nfs/dbraw/zinc/30/37/14/211303714.db2.gz SYCSWHQSNCEEHN-ZDUSSCGKSA-N 0 0 376.386 3.316 50 0 GGAARN COc1nn(C)c(C)c1NC(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000096133468 211303726 /nfs/dbraw/zinc/30/37/26/211303726.db2.gz 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ZINC000096117984 211302690 /nfs/dbraw/zinc/30/26/90/211302690.db2.gz HIXHFGVIBMGDKS-INIZCTEOSA-N 0 0 391.518 3.440 50 0 GGAARN CCOC(=O)c1sc(NC(=O)c2cc3cc(OC)c(OC)cc3[nH]2)nc1C ZINC000096118486 211302460 /nfs/dbraw/zinc/30/24/60/211302460.db2.gz FLUOVEPFNNPFCZ-UHFFFAOYSA-N 0 0 389.433 3.379 50 0 GGAARN CSc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCOCC2)cc1 ZINC000096118032 211302549 /nfs/dbraw/zinc/30/25/49/211302549.db2.gz XFJNMPMISDZMDG-MRXNPFEDSA-N 0 0 391.518 3.437 50 0 GGAARN O=c1[nH]n(C2CCOCC2)c2c1[C@@H](c1ccc(O)c(Cl)c1)SCC(=O)N2 ZINC000096117885 211302342 /nfs/dbraw/zinc/30/23/42/211302342.db2.gz OYXZDXQFBBHFNH-OAHLLOKOSA-N 0 0 395.868 3.074 50 0 GGAARN CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000096118083 211302441 /nfs/dbraw/zinc/30/24/41/211302441.db2.gz VKEBXTXPHULMBR-OAQYLSRUSA-N 0 0 377.444 3.200 50 0 GGAARN Cc1ccc(CN2C(=O)NC3(CCN(C(=O)c4cccc(C)c4)CC3)C2=O)cc1 ZINC000096105353 211301682 /nfs/dbraw/zinc/30/16/82/211301682.db2.gz GBLNXPPWMJLKQU-UHFFFAOYSA-N 0 0 391.471 3.030 50 0 GGAARN Cc1cc2cccc(NC(=O)N3CCN(Cc4ccco4)[C@H](CCO)C3)c2o1 ZINC000096141129 211308515 /nfs/dbraw/zinc/30/85/15/211308515.db2.gz LIFAYUXIELPGGP-QGZVFWFLSA-N 0 0 383.448 3.435 50 0 GGAARN CCc1noc(-c2cccc(NC(=O)N3CCN(Cc4ccco4)CC3)c2)n1 ZINC000096140789 211308280 /nfs/dbraw/zinc/30/82/80/211308280.db2.gz DAZHGJKINCTGGH-UHFFFAOYSA-N 0 0 381.436 3.242 50 0 GGAARN Cc1cc2cccc(NC(=O)N3CCN(Cc4ccco4)[C@@H](CCO)C3)c2o1 ZINC000096141130 211307967 /nfs/dbraw/zinc/30/79/67/211307967.db2.gz LIFAYUXIELPGGP-KRWDZBQOSA-N 0 0 383.448 3.435 50 0 GGAARN O=C(Nc1cc(F)ccc1Cl)N1CCN(Cc2ccco2)[C@H](CCO)C1 ZINC000096141978 211308060 /nfs/dbraw/zinc/30/80/60/211308060.db2.gz MDRLCCOVKQFUSQ-CQSZACIVSA-N 0 0 381.835 3.173 50 0 GGAARN CCCNC(=O)c1ccc(NC(=O)N2CCCC[C@H]2CCn2cccn2)cc1 ZINC000096139420 211307238 /nfs/dbraw/zinc/30/72/38/211307238.db2.gz SZPGCLVDUKERPD-IBGZPJMESA-N 0 0 383.496 3.500 50 0 GGAARN O=C1CCCCN1Cc1nc([C@@H]2CCOC2)nn1-c1ccc(F)c(Cl)c1 ZINC000096137933 211307262 /nfs/dbraw/zinc/30/72/62/211307262.db2.gz NZZNFHJTUJPCMH-GFCCVEGCSA-N 0 0 378.835 3.076 50 0 GGAARN COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000096136686 211307103 /nfs/dbraw/zinc/30/71/03/211307103.db2.gz LRERUBXHHMIVFO-CQSZACIVSA-N 0 0 376.478 3.194 50 0 GGAARN C[C@]1(NC(=O)Nc2ccc(SCc3ccco3)cc2)CCS(=O)(=O)C1 ZINC000096139257 211307123 /nfs/dbraw/zinc/30/71/23/211307123.db2.gz KSRDFRHDIQKGTQ-KRWDZBQOSA-N 0 0 380.491 3.271 50 0 GGAARN CCc1noc([C@@H]2CCCN2C(=O)Nc2cc(Cl)ccc2-n2cncn2)n1 ZINC000096139185 211307160 /nfs/dbraw/zinc/30/71/60/211307160.db2.gz JNWWVUAMNVUVDJ-AWEZNQCLSA-N 0 0 387.831 3.235 50 0 GGAARN CC(C)c1noc([C@@H]2CCCN(C(=O)Nc3ccnn3Cc3ccco3)C2)n1 ZINC000096138708 211306902 /nfs/dbraw/zinc/30/69/02/211306902.db2.gz ALVYNKALQPCGFM-CQSZACIVSA-N 0 0 384.440 3.442 50 0 GGAARN Cc1cc(C)n(CC2(CNC(=O)Nc3cccc(-c4n[nH]c(C)n4)c3)CC2)n1 ZINC000096138902 211307026 /nfs/dbraw/zinc/30/70/26/211307026.db2.gz YOPUZRAIECPSAA-UHFFFAOYSA-N 0 0 379.468 3.195 50 0 GGAARN 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Cc1nn(-c2ccccc2)c(N)c1[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000072333075 211092126 /nfs/dbraw/zinc/09/21/26/211092126.db2.gz JFTFCSOKSNTRPZ-INIZCTEOSA-N 0 0 380.835 3.463 50 0 GGAARN O=C(c1ccco1)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000072334813 211091734 /nfs/dbraw/zinc/09/17/34/211091734.db2.gz CHFRXKZVHGRXJO-UHFFFAOYSA-N 0 0 381.407 3.195 50 0 GGAARN COc1ccc(C(=O)OCC(=O)NCc2ccc(Br)cc2)c(C)c1 ZINC000072333950 211091444 /nfs/dbraw/zinc/09/14/44/211091444.db2.gz VBWJYTRXSDRUBY-UHFFFAOYSA-N 0 0 392.249 3.239 50 0 GGAARN COc1cccc(-c2n[nH]cc2C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000072329236 211091279 /nfs/dbraw/zinc/09/12/79/211091279.db2.gz ZOVKJXKMXHPBEZ-UHFFFAOYSA-N 0 0 381.432 3.075 50 0 GGAARN COc1ccc2[nH]cc(CCNC(=O)c3cn(C)c(=O)c4ccccc34)c2c1 ZINC000072324929 211090677 /nfs/dbraw/zinc/09/06/77/211090677.db2.gz RYAMHGHJNGWYSK-UHFFFAOYSA-N 0 0 375.428 3.001 50 0 biogenic GGAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCN1Cc2ccccc2C1=O)CC3 ZINC000072324663 211090693 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CNc1ncc(C(=O)N2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cn1 ZINC000072149795 211076484 /nfs/dbraw/zinc/07/64/84/211076484.db2.gz HKCZHHBOUSBHDD-MRXNPFEDSA-N 0 0 382.464 3.041 50 0 GGAARN NC(=O)C1(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000072144502 211075637 /nfs/dbraw/zinc/07/56/37/211075637.db2.gz GZJVVMZWGPTBLU-KRWDZBQOSA-N 0 0 392.455 3.166 50 0 GGAARN COc1ccc(N2CCN(Cc3c(F)c(F)ccc3OC)[C@H](C)C2=O)cc1 ZINC000072145622 211075526 /nfs/dbraw/zinc/07/55/26/211075526.db2.gz GOBNODCMZASPJA-CYBMUJFWSA-N 0 0 376.403 3.219 50 0 GGAARN Cc1cccc2[nH]c([C@@H]3CCCN(S(=O)(=O)NCc4ccccc4)C3)nc21 ZINC000072149308 211075548 /nfs/dbraw/zinc/07/55/48/211075548.db2.gz HNWFGIAFMVDHOP-QGZVFWFLSA-N 0 0 384.505 3.085 50 0 GGAARN CC(C)NC(=O)c1cc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)ccn1 ZINC000072166547 211080591 /nfs/dbraw/zinc/08/05/91/211080591.db2.gz KELPODPMNFTTDU-UHFFFAOYSA-N 0 0 379.439 3.124 50 0 GGAARN COc1nc(C)cc(C)c1CNc1nc(-c2ccncc2)nc2c1cnn2C ZINC000072166915 211080443 /nfs/dbraw/zinc/08/04/43/211080443.db2.gz NXNAXKAHZNZVPX-UHFFFAOYSA-N 0 0 375.436 3.058 50 0 GGAARN Cn1ncc2c1nc(-c1ccncc1)nc2NC[C@@H](O)c1ccccc1Cl ZINC000072169169 211080126 /nfs/dbraw/zinc/08/01/26/211080126.db2.gz IKNVDHJYHIBCPT-MRXNPFEDSA-N 0 0 380.839 3.224 50 0 GGAARN CCCc1oncc1C(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc32)C1 ZINC000072167217 211079771 /nfs/dbraw/zinc/07/97/71/211079771.db2.gz DWGZEGZMDBMRHM-QGZVFWFLSA-N 0 0 377.444 3.311 50 0 GGAARN Cc1ccc2[nH]c(CN(C)C(=O)c3cn(Cc4ccc(Cl)cc4)nn3)nc2c1 ZINC000072164662 211079881 /nfs/dbraw/zinc/07/98/81/211079881.db2.gz IBNUSAVICIYFSR-UHFFFAOYSA-N 0 0 394.866 3.437 50 0 GGAARN Cc1ccccc1-c1cccc(C(=O)N2CC3(C[C@H]2C(=O)[O-])CC[NH2+]CC3)c1 ZINC000072166546 211079617 /nfs/dbraw/zinc/07/96/17/211079617.db2.gz JOOIAUCZHIVOCE-FQEVSTJZSA-N 0 0 378.472 3.331 50 0 GGAARN CC(C)NC(=O)C(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000072164342 211079168 /nfs/dbraw/zinc/07/91/68/211079168.db2.gz AUBOIMXJRJBZAB-GOSISDBHSA-N 0 0 396.462 3.439 50 0 GGAARN COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)c3n[nH]cc3Cl)C2)cc1C ZINC000072167264 211079190 /nfs/dbraw/zinc/07/91/90/211079190.db2.gz DBXURVSYBPWFRS-ZDUSSCGKSA-N 0 0 375.856 3.424 50 0 GGAARN CC[C@H](Oc1ccccc1)C(=O)N1CCc2c(nc(-c3ccccc3)[nH]c2=O)C1 ZINC000072167620 211079251 /nfs/dbraw/zinc/07/92/51/211079251.db2.gz GVXQMKVEYPYQGR-FQEVSTJZSA-N 0 0 389.455 3.179 50 0 GGAARN Cc1ccc(F)cc1C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1 ZINC000072153145 211078702 /nfs/dbraw/zinc/07/87/02/211078702.db2.gz LERJPRBJDMCNFM-UHFFFAOYSA-N 0 0 391.450 3.251 50 0 GGAARN COc1nc(C)cc(C)c1CNc1nc(-c2cccnc2)nc2c1cnn2C ZINC000072161559 211078439 /nfs/dbraw/zinc/07/84/39/211078439.db2.gz IGPPOZCNKVZHOS-UHFFFAOYSA-N 0 0 375.436 3.058 50 0 GGAARN CN(C)C(=O)c1cc2cc(NS(=O)(=O)NCc3ccccc3)ccc2s1 ZINC000072162431 211078447 /nfs/dbraw/zinc/07/84/47/211078447.db2.gz CBZXAQSTHVUQDU-UHFFFAOYSA-N 0 0 389.502 3.050 50 0 GGAARN COCCN1CCC[C@@]2(CCN(C(=O)c3oc4cc(C)ccc4c3C)C2)C1=O ZINC000072162338 211078243 /nfs/dbraw/zinc/07/82/43/211078243.db2.gz WBOBJSUEAXJEQZ-QFIPXVFZSA-N 0 0 384.476 3.151 50 0 GGAARN Cc1c[nH]c(CN(C)C(=O)c2cn(C(c3ccccc3)c3ccccc3)nn2)n1 ZINC000072158005 211078298 /nfs/dbraw/zinc/07/82/98/211078298.db2.gz SKBKWIVLEYPYSP-UHFFFAOYSA-N 0 0 386.459 3.220 50 0 GGAARN O=C(N[C@H]1CC(=O)N(C2CCCCCC2)C1)c1c[nH]nc1-c1cccc(F)c1 ZINC000072156971 211078131 /nfs/dbraw/zinc/07/81/31/211078131.db2.gz RQZUNAJFABLFQT-INIZCTEOSA-N 0 0 384.455 3.269 50 0 GGAARN Cc1nnc(CCC(=O)N2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)[nH]1 ZINC000072140202 211074426 /nfs/dbraw/zinc/07/44/26/211074426.db2.gz MVQHJEUXUNKXBI-KRWDZBQOSA-N 0 0 382.508 3.465 50 0 GGAARN O=C(c1cc2ccccc2[nH]1)N1CC[C@@]2(C1)CCCN(Cc1cccnc1)C2=O ZINC000072135550 211074220 /nfs/dbraw/zinc/07/42/20/211074220.db2.gz POGDHTVZZZZGPC-HSZRJFAPSA-N 0 0 388.471 3.218 50 0 GGAARN O=C(c1cc2ccccc2[nH]1)N1CC[C@]2(C1)CCCN(Cc1cccnc1)C2=O ZINC000072135551 211074035 /nfs/dbraw/zinc/07/40/35/211074035.db2.gz POGDHTVZZZZGPC-QHCPKHFHSA-N 0 0 388.471 3.218 50 0 GGAARN Cc1nn2c([n-]1)nc(C[N@@H+]1CCC[C@H](CCc3c(F)cccc3F)C1)cc2=O ZINC000072138682 211073853 /nfs/dbraw/zinc/07/38/53/211073853.db2.gz LFCMXWSBOSMBGB-CQSZACIVSA-N 0 0 387.434 3.261 50 0 GGAARN COCCN1CCCn2nc(CN3CC=C(c4ccc(F)cc4)CC3)cc2C1 ZINC000072137147 211073634 /nfs/dbraw/zinc/07/36/34/211073634.db2.gz AEDQEPUOTAVNEK-UHFFFAOYSA-N 0 0 384.499 3.164 50 0 GGAARN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Nc1cccc(Cl)c1 ZINC000072140017 211073351 /nfs/dbraw/zinc/07/33/51/211073351.db2.gz MOYBDHPCKMWRSQ-UHFFFAOYSA-N 0 0 379.869 3.185 50 0 GGAARN O=C(CSC12CC3CC(CC(C3)C1)C2)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000072137423 211073109 /nfs/dbraw/zinc/07/31/09/211073109.db2.gz IIPZRKYBLDWZTC-IGDKPHCXSA-N 0 0 386.565 3.264 50 0 GGAARN O=C(c1cn2cc(Cl)ccc2n1)N1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000072125625 211072434 /nfs/dbraw/zinc/07/24/34/211072434.db2.gz YAOWEVDTZPYSGL-UHFFFAOYSA-N 0 0 380.835 3.114 50 0 GGAARN CC(C)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000072125392 211072172 /nfs/dbraw/zinc/07/21/72/211072172.db2.gz WHAVBIBKRDFGJN-JOCHJYFZSA-N 0 0 393.531 3.206 50 0 GGAARN Cc1[nH][nH]c(=O)c1CC(=O)N1CCC[C@@H](C(=O)c2ccc3ccccc3c2)C1 ZINC000072127421 211071121 /nfs/dbraw/zinc/07/11/21/211071121.db2.gz CWEUSDBOTIAWKM-GOSISDBHSA-N 0 0 377.444 3.241 50 0 GGAARN CCCN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1 ZINC000072127368 211070941 /nfs/dbraw/zinc/07/09/41/211070941.db2.gz IBSSNIMBZKRGDZ-NRFANRHFSA-N 0 0 395.503 3.038 50 0 GGAARN O=C(N[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1cnc2ccccc2c1 ZINC000072129751 211071010 /nfs/dbraw/zinc/07/10/10/211071010.db2.gz AQWCAZLZNQNPDB-QGZVFWFLSA-N 0 0 379.847 3.419 50 0 GGAARN Cc1cc(C)cc(NC(=O)N2CCN(c3ccnc(N4CCCC4)n3)CC2)c1 ZINC000072115546 211070505 /nfs/dbraw/zinc/07/05/05/211070505.db2.gz QXXOCKWGJOKCRR-UHFFFAOYSA-N 0 0 380.496 3.048 50 0 GGAARN COc1cccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cc(F)cc(F)c3)n2)c1 ZINC000072117271 211069709 /nfs/dbraw/zinc/06/97/09/211069709.db2.gz TYTUDTISUBOZOV-LBPRGKRZSA-N 0 0 385.370 3.397 50 0 GGAARN NS(=O)(=O)c1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)c(F)c1 ZINC000072147139 211075139 /nfs/dbraw/zinc/07/51/39/211075139.db2.gz QADPDZYWWSIQSK-UHFFFAOYSA-N 0 0 397.435 3.024 50 0 GGAARN COc1cc(Cl)cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 ZINC000072149430 211075277 /nfs/dbraw/zinc/07/52/77/211075277.db2.gz SONAETDBFHKKJK-MRXNPFEDSA-N 0 0 376.815 3.019 50 0 GGAARN COC(=O)[C@@H](N)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071788275 211063323 /nfs/dbraw/zinc/06/33/23/211063323.db2.gz LDXZBXJAYFRKAX-FQEVSTJZSA-N 0 0 382.460 3.196 50 0 GGAARN Cc1cccc(Cl)c1NC(=O)Cn1ncc(N2CCCCC2)c(Cl)c1=O ZINC000072119139 211069038 /nfs/dbraw/zinc/06/90/38/211069038.db2.gz BZCCRRHJGJJIGJ-UHFFFAOYSA-N 0 0 395.290 3.488 50 0 GGAARN CC(C)[C@H]1CN(C(=O)c2cscn2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071780027 211063454 /nfs/dbraw/zinc/06/34/54/211063454.db2.gz AHBZCNTXYMSKOT-QGZVFWFLSA-N 0 0 375.469 3.182 50 0 GGAARN CN1c2ccccc2[C@@](CC(=O)NCC2CCOCC2)(Cc2ccccc2)C1=O ZINC000071759398 211057690 /nfs/dbraw/zinc/05/76/90/211057690.db2.gz GSTHGUASFBUWCM-DEOSSOPVSA-N 0 0 392.499 3.076 50 0 GGAARN Cc1cncc(C(=O)N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1 ZINC000071755437 211057719 /nfs/dbraw/zinc/05/77/19/211057719.db2.gz UUXAVUJJEFRGOZ-HXUWFJFHSA-N 0 0 383.467 3.428 50 0 GGAARN O=c1[nH]c(Cn2ccnc2-c2ccccc2Cn2cccn2)nc2ccccc21 ZINC000071760374 211057847 /nfs/dbraw/zinc/05/78/47/211057847.db2.gz XVINGUJKXVZHEC-UHFFFAOYSA-N 0 0 382.427 3.080 50 0 GGAARN COc1ccc2cc([C@@H]3CN(C(=O)Cc4ccc(CO)cc4)CCO3)ccc2c1 ZINC000071771404 211063204 /nfs/dbraw/zinc/06/32/04/211063204.db2.gz NWXBELBRPVPCSG-QHCPKHFHSA-N 0 0 391.467 3.483 50 0 GGAARN COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)c1ccccc1F ZINC000071770844 211062707 /nfs/dbraw/zinc/06/27/07/211062707.db2.gz DZNLXLAPDDHYEN-UHFFFAOYSA-N 0 0 383.423 3.058 50 0 GGAARN Cc1nc2ccc(C(=O)N3CCC(=O)N(CC4CC4)[C@@H](C(C)C)C3)cc2nc1C ZINC000071771330 211061948 /nfs/dbraw/zinc/06/19/48/211061948.db2.gz FUVVEEDKXZMZKR-OAQYLSRUSA-N 0 0 394.519 3.356 50 0 GGAARN O=S(=O)(Cc1ccccc1CN1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000071764226 211061199 /nfs/dbraw/zinc/06/11/99/211061199.db2.gz JSJZXOVFSKYMME-SFHVURJKSA-N 0 0 399.434 3.424 50 0 GGAARN COc1ccc(C2=NC3(CCCCC3)N(CC(=O)NC3CCCC3)C2=O)cc1 ZINC000071768930 211061031 /nfs/dbraw/zinc/06/10/31/211061031.db2.gz BOJXSQNHBKNEBM-UHFFFAOYSA-N 0 0 383.492 3.046 50 0 GGAARN CC(=O)c1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC2(C)C)cc1 ZINC000071769049 211060784 /nfs/dbraw/zinc/06/07/84/211060784.db2.gz IYWHVLACXXDEOV-UHFFFAOYSA-N 0 0 381.407 3.034 50 0 GGAARN Cc1cc(CNc2ncnc3c2CCN(C(=O)c2cccnc2)C3)ccc1F ZINC000071764933 211060655 /nfs/dbraw/zinc/06/06/55/211060655.db2.gz BDMIMUDTZPATIQ-UHFFFAOYSA-N 0 0 377.423 3.130 50 0 GGAARN Nn1c(=O)c2cc(Br)ccc2nc1SCc1cc(F)ccc1F ZINC000071768776 211060667 /nfs/dbraw/zinc/06/06/67/211060667.db2.gz HDSHHXZHTDOZJX-UHFFFAOYSA-N 0 0 398.232 3.443 50 0 GGAARN COCC(C)(C)NC(=O)C[C@@]1(Cc2ccccc2)c2ccccc2N(C)C1=O ZINC000071763969 211060494 /nfs/dbraw/zinc/06/04/94/211060494.db2.gz GKFZRWRBNUWIHU-QHCPKHFHSA-N 0 0 380.488 3.075 50 0 GGAARN CC(C)[C@H]1CN(C(=O)CCc2cc(=O)[n-]o2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071764629 211060525 /nfs/dbraw/zinc/06/05/25/211060525.db2.gz APKLLLVLNCIWBV-LJQANCHMSA-N 0 0 389.471 3.211 50 0 GGAARN Cc1c(-c2nccn2Cc2cn3ccsc3n2)c(=O)n(-c2ccccc2)n1C ZINC000071762817 211060563 /nfs/dbraw/zinc/06/05/63/211060563.db2.gz JHJOXGFVWLBTCW-UHFFFAOYSA-N 0 0 390.472 3.105 50 0 GGAARN COC(=O)COc1ccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000071762975 211060353 /nfs/dbraw/zinc/06/03/53/211060353.db2.gz OGMWHBVDLVRRCM-IBGZPJMESA-N 0 0 375.852 3.465 50 0 GGAARN CC(C)OCCNC(=O)C[C@@]1(Cc2ccccc2)c2ccccc2N(C)C1=O ZINC000071765177 211060362 /nfs/dbraw/zinc/06/03/62/211060362.db2.gz FFUOYYDYAHOPAT-QHCPKHFHSA-N 0 0 380.488 3.075 50 0 GGAARN CC[C@@H]1CN(C(=O)c2cccc3c2OCC3)CCC(=O)N1Cc1ccccc1 ZINC000071763318 211060406 /nfs/dbraw/zinc/06/04/06/211060406.db2.gz ZCZRLFMUDSZFCE-LJQANCHMSA-N 0 0 378.472 3.275 50 0 GGAARN O=C(NCc1cccs1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 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/nfs/dbraw/zinc/95/89/80/210958980.db2.gz UZWINCQBDQXRRD-KRWDZBQOSA-N 0 0 394.880 3.204 50 0 GGAARN Cc1ccc(C)c(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 ZINC000064988452 210958697 /nfs/dbraw/zinc/95/86/97/210958697.db2.gz QSMDFSDIPDXDHT-LJQANCHMSA-N 0 0 388.489 3.168 50 0 GGAARN CSc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1 ZINC000064597263 210943560 /nfs/dbraw/zinc/94/35/60/210943560.db2.gz VJSYJKHDKQSULP-UHFFFAOYSA-N 0 0 390.530 3.009 50 0 GGAARN CC1CCN(C(=O)Cn2c3cc4c(cc3nc2C(F)(F)F)OCCO4)CC1 ZINC000064814385 210947994 /nfs/dbraw/zinc/94/79/94/210947994.db2.gz BOJPRJJPAGDKGR-UHFFFAOYSA-N 0 0 383.370 3.085 50 0 GGAARN Cc1c(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)sc2[nH]cnc(=O)c12 ZINC000061719906 210931017 /nfs/dbraw/zinc/93/10/17/210931017.db2.gz GUGAJGXVAZTLGG-UHFFFAOYSA-N 0 0 386.864 3.400 50 0 GGAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3nnc([C@@H]4CCCO4)s3)c12 ZINC000061721938 210930393 /nfs/dbraw/zinc/93/03/93/210930393.db2.gz VTTMIUUBOSBRCS-ZDUSSCGKSA-N 0 0 386.481 3.355 50 0 GGAARN O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1nc(-c2cccs2)cs1 ZINC000061721849 210929867 /nfs/dbraw/zinc/92/98/67/210929867.db2.gz JEIMUCNIADGPKG-UHFFFAOYSA-N 0 0 386.502 3.336 50 0 GGAARN COc1ccc(-c2noc(-c3cccn3CC(=O)N3CCCCC3)n2)cc1OC ZINC000057487179 210900001 /nfs/dbraw/zinc/90/00/01/210900001.db2.gz RXDGBPWRIRWCRS-UHFFFAOYSA-N 0 0 396.447 3.235 50 0 GGAARN CC[C@H]1CCCCN1C(=O)Cn1c2ccccc2c(=O)n(CCC(C)C)c1=O ZINC000057525923 210900056 /nfs/dbraw/zinc/90/00/56/210900056.db2.gz ROXYUCVFNRDAJK-KRWDZBQOSA-N 0 0 385.508 3.000 50 0 GGAARN CCc1cc(=O)n(CC(=O)Nc2ccc(C(C)=O)cc2)c(-c2ccc(F)cc2)n1 ZINC000057508746 210900082 /nfs/dbraw/zinc/90/00/82/210900082.db2.gz QBJWUPJUWFRFKL-UHFFFAOYSA-N 0 0 393.418 3.453 50 0 GGAARN CCOc1ccccc1CN(C)Cc1nnc(SC)n1C[C@H]1CCCO1 ZINC000055569087 210890146 /nfs/dbraw/zinc/89/01/46/210890146.db2.gz XAMOOKVNPRFWFO-MRXNPFEDSA-N 0 0 376.526 3.210 50 0 GGAARN CCOc1ccccc1CN(C)Cc1nnc(SC)n1C[C@@H]1CCCO1 ZINC000055569086 210889833 /nfs/dbraw/zinc/88/98/33/210889833.db2.gz XAMOOKVNPRFWFO-INIZCTEOSA-N 0 0 376.526 3.210 50 0 GGAARN CCn1ncc(NC(=O)Cn2nc(-c3ccc(F)c(F)c3)c3ccccc32)n1 ZINC000055414853 210889428 /nfs/dbraw/zinc/88/94/28/210889428.db2.gz YAFBTDIDLAYUDQ-UHFFFAOYSA-N 0 0 382.374 3.232 50 0 GGAARN CC(C)CCC1=NC(=O)C2(CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)N1 ZINC000055576202 210889315 /nfs/dbraw/zinc/88/93/15/210889315.db2.gz VTNOYXFMMVLGJD-UHFFFAOYSA-N 0 0 379.863 3.418 50 0 GGAARN CCCCn1c(CN(C)Cc2ccccn2)cnc1S(=O)(=O)CC1CCC1 ZINC000055360369 210889116 /nfs/dbraw/zinc/88/91/16/210889116.db2.gz GNXKEXBFBAOQMA-UHFFFAOYSA-N 0 0 390.553 3.284 50 0 GGAARN CC(C)(NC(=O)c1cccs1)C(=O)N[C@H](Cn1cccn1)c1ccccc1 ZINC000055382930 210888900 /nfs/dbraw/zinc/88/89/00/210888900.db2.gz QDPSFIMKSQSVQW-MRXNPFEDSA-N 0 0 382.489 3.011 50 0 GGAARN COc1ccc(OC)c(CNC(=O)CCCCN2Cc3ccccc3C2=O)c1 ZINC000055402348 210888970 /nfs/dbraw/zinc/88/89/70/210888970.db2.gz GIBDBQIAGGNMKS-UHFFFAOYSA-N 0 0 382.460 3.146 50 0 GGAARN CCOc1ccc(CCCNC(=O)c2cccc(-n3cnnc3)c2)cc1OCC ZINC000055269806 210885915 /nfs/dbraw/zinc/88/59/15/210885915.db2.gz TWAQSYVUUNZBLQ-UHFFFAOYSA-N 0 0 394.475 3.427 50 0 GGAARN O=C(Nc1ccc(C(=O)N2CCCN(Cc3ccccn3)CC2)cc1)C1CCC1 ZINC000055271153 210884973 /nfs/dbraw/zinc/88/49/73/210884973.db2.gz SNEWBQXGCHRGGT-UHFFFAOYSA-N 0 0 392.503 3.168 50 0 GGAARN Cc1cccc(Cl)c1NC(=O)CSc1nnc(-c2cccc(F)c2)n1N ZINC000051319297 210869147 /nfs/dbraw/zinc/86/91/47/210869147.db2.gz GIUGFGBOBDSWRD-UHFFFAOYSA-N 0 0 391.859 3.491 50 0 GGAARN COc1ccc(Cl)cc1-n1nnc(C(=O)NCCc2cccs2)c1C ZINC000051317597 210869152 /nfs/dbraw/zinc/86/91/52/210869152.db2.gz CUZGZOLISZUTPF-UHFFFAOYSA-N 0 0 376.869 3.272 50 0 GGAARN CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C)c1=O ZINC000051357683 210868415 /nfs/dbraw/zinc/86/84/15/210868415.db2.gz OXSFCNFZPALPRA-UHFFFAOYSA-N 0 0 379.460 3.301 50 0 GGAARN CC(=O)c1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)cc1 ZINC000049551548 210864451 /nfs/dbraw/zinc/86/44/51/210864451.db2.gz FQLUAIHRUYUHLE-UHFFFAOYSA-N 0 0 376.412 3.419 50 0 GGAARN COc1ccc(NC(=O)CCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000049543605 210863934 /nfs/dbraw/zinc/86/39/34/210863934.db2.gz KOLUEWCSMVVYKA-UHFFFAOYSA-N 0 0 377.444 3.480 50 0 biogenic GGAARN Cc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)cn2C)s1 ZINC000049544926 210863775 /nfs/dbraw/zinc/86/37/75/210863775.db2.gz PELVRPIZHGYPTA-UHFFFAOYSA-N 0 0 390.852 3.030 50 0 GGAARN O=C(Cn1nc(C2CC2)cc1C(=O)N1CCCC1)Nc1ccc(F)cc1Cl ZINC000049420847 210862721 /nfs/dbraw/zinc/86/27/21/210862721.db2.gz TZQIQNWPMJWHCF-UHFFFAOYSA-N 0 0 390.846 3.428 50 0 GGAARN CCOc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c(OC)cc2=O)cc1 ZINC000049407601 210862301 /nfs/dbraw/zinc/86/23/01/210862301.db2.gz FSRUQVLFAIZPLG-UHFFFAOYSA-N 0 0 383.379 3.031 50 0 GGAARN COC(=O)c1ccc2c(c1)nc(N1CCSC1)n(-c1ccc(C)c(F)c1)c2=O ZINC000049006455 210858420 /nfs/dbraw/zinc/85/84/20/210858420.db2.gz NBHZXSBBFLWTGD-UHFFFAOYSA-N 0 0 399.447 3.131 50 0 GGAARN COc1cccc(Cn2nc3c(-c4nc(-c5ccccc5)no4)cccn3c2=O)c1 ZINC000049006619 210858087 /nfs/dbraw/zinc/85/80/87/210858087.db2.gz UKDGJYAJXKYYJP-UHFFFAOYSA-N 0 0 399.410 3.270 50 0 GGAARN COc1ccc([C@@H](C)NC(=O)c2snc(-c3ccccn3)c2N)cc1OC ZINC000049007597 210857544 /nfs/dbraw/zinc/85/75/44/210857544.db2.gz GDXGHYPMYNQZIU-LLVKDONJSA-N 0 0 384.461 3.296 50 0 GGAARN COc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NC2CCCC2)cc1 ZINC000048986190 210857547 /nfs/dbraw/zinc/85/75/47/210857547.db2.gz IXISBUNUQJZDLK-UHFFFAOYSA-N 0 0 394.518 3.254 50 0 GGAARN CC(=O)c1ccccc1-c1cnn(CC(=O)Nc2ccnn2Cc2ccco2)c1 ZINC000048428395 210856799 /nfs/dbraw/zinc/85/67/99/210856799.db2.gz YOTGSDUEUIAUNJ-UHFFFAOYSA-N 0 0 389.415 3.229 50 0 GGAARN CSc1nc(C(=O)N2CCC[C@H](Cn3cc(C(C)(C)C)nn3)C2)cs1 ZINC000048488465 210855748 /nfs/dbraw/zinc/85/57/48/210855748.db2.gz QVWZGIJXAYVFSD-LBPRGKRZSA-N 0 0 379.555 3.306 50 0 GGAARN COCc1ccc(C(=O)N2CCc3[nH]nc(-c4ccccc4OC)c3C2)s1 ZINC000048368547 210855881 /nfs/dbraw/zinc/85/58/81/210855881.db2.gz JBASKMURISKOMC-UHFFFAOYSA-N 0 0 383.473 3.492 50 0 GGAARN Cc1ccc2[nH]c(=O)cc(C(=O)N3CCC(n4cc(C(C)(C)C)nn4)CC3)c2c1 ZINC000048179420 210846950 /nfs/dbraw/zinc/84/69/50/210846950.db2.gz DYOZGKXPOZIOAM-UHFFFAOYSA-N 0 0 393.491 3.203 50 0 GGAARN O=C(c1ccc2cccnc2n1)N1CCc2[nH]nc(COc3ccccc3)c2C1 ZINC000048156060 210846615 /nfs/dbraw/zinc/84/66/15/210846615.db2.gz MBHPWEFEROOFIE-UHFFFAOYSA-N 0 0 385.427 3.130 50 0 GGAARN COc1ccc(-c2ccn(CC(=O)Nc3nn(C)c4ccccc34)n2)cc1F ZINC000048135094 210846175 /nfs/dbraw/zinc/84/61/75/210846175.db2.gz CTBWEFMJTKTNSU-UHFFFAOYSA-N 0 0 379.395 3.223 50 0 GGAARN COc1ccc(OC)c(-c2nn(CC(=O)Nc3ccnn3C)c3ccccc32)c1 ZINC000048170678 210846287 /nfs/dbraw/zinc/84/62/87/210846287.db2.gz PREKVAYILJKDJZ-UHFFFAOYSA-N 0 0 391.431 3.093 50 0 GGAARN Cc1cc(NC(=O)Cn2cc(-c3ccc(F)cc3F)cn2)n(-c2ccccn2)n1 ZINC000048229050 210846001 /nfs/dbraw/zinc/84/60/01/210846001.db2.gz WBBPFPFIEIQWIY-UHFFFAOYSA-N 0 0 394.385 3.356 50 0 GGAARN Cc1cc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c2ccc(F)cc2n1 ZINC000046162902 210836521 /nfs/dbraw/zinc/83/65/21/210836521.db2.gz ZBNORLHIVGMGTH-UHFFFAOYSA-N 0 0 383.448 3.342 50 0 GGAARN Cc1cc(C)cc(OCCN(C)C(=O)CCc2nc(-c3cccnc3)no2)c1 ZINC000046810385 210838029 /nfs/dbraw/zinc/83/80/29/210838029.db2.gz GBNFMGKBCUPWBN-UHFFFAOYSA-N 0 0 380.448 3.218 50 0 GGAARN COc1ccc([C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000044948548 210819881 /nfs/dbraw/zinc/81/98/81/210819881.db2.gz IPFXZKRVMMKKJF-LBPRGKRZSA-N 0 0 375.421 3.221 50 0 GGAARN CSc1ccc(-c2ccc(=O)n(CC(=O)c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000044918740 210818145 /nfs/dbraw/zinc/81/81/45/210818145.db2.gz GELHJINEMZXQCE-UHFFFAOYSA-N 0 0 393.468 3.474 50 0 GGAARN COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](C)CCc3ccccc3)n2)cc1 ZINC000044917411 210817334 /nfs/dbraw/zinc/81/73/34/210817334.db2.gz NFAZCASCIVHQOM-KRWDZBQOSA-N 0 0 391.471 3.056 50 0 GGAARN CC(C)c1nnc(NC(=O)[C@H](Cc2ccccc2)NC(=O)N2CCCC2)s1 ZINC000044893677 210815988 /nfs/dbraw/zinc/81/59/88/210815988.db2.gz WTFQLGGVZGNDBB-HNNXBMFYSA-N 0 0 387.509 3.017 50 0 GGAARN COc1ccc(-c2ccc(=O)n(CC(=O)NC3CCCCCCC3)n2)c(F)c1 ZINC000044900494 210815306 /nfs/dbraw/zinc/81/53/06/210815306.db2.gz SIHXFPCDVWFKHK-UHFFFAOYSA-N 0 0 387.455 3.287 50 0 GGAARN COc1cccc(-c2ccc(=O)n(CC(=O)N[C@@H](C)CCc3ccccc3)n2)c1 ZINC000044890737 210815316 /nfs/dbraw/zinc/81/53/16/210815316.db2.gz UUGPEIDOXRSIHV-KRWDZBQOSA-N 0 0 391.471 3.056 50 0 GGAARN CCCSc1ncc(Cl)c(C(=O)N[C@H](Cc2ccccc2)C(=O)OC)n1 ZINC000041156661 210800020 /nfs/dbraw/zinc/80/00/20/210800020.db2.gz WIHFQWRCZHRMCV-CQSZACIVSA-N 0 0 393.896 3.146 50 0 GGAARN CCOc1ccc(-c2csc3c2ncn(CC(=O)OC)c3=O)cc1OCC ZINC000044167010 210810469 /nfs/dbraw/zinc/81/04/69/210810469.db2.gz MZDCSHVKYZLAQZ-UHFFFAOYSA-N 0 0 388.445 3.095 50 0 GGAARN COc1cccc(CNC(=O)CCn2nc(-c3cccc(Cl)c3)ccc2=O)c1 ZINC000041253624 210801783 /nfs/dbraw/zinc/80/17/83/210801783.db2.gz JPESKDYORQEKDL-UHFFFAOYSA-N 0 0 397.862 3.279 50 0 GGAARN COc1ccc(Cl)cc1N1C(=O)C[C@]2(CC(c3ccccc3F)=NO2)C1=O ZINC000040266746 210782643 /nfs/dbraw/zinc/78/26/43/210782643.db2.gz IPTNNOUBXZEFOV-LJQANCHMSA-N 0 0 388.782 3.314 50 0 GGAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)COc1c(C)occc1=O ZINC000040267344 210782812 /nfs/dbraw/zinc/78/28/12/210782812.db2.gz HSDVMKZKXFQZMY-UHFFFAOYSA-N 0 0 379.434 3.327 50 0 GGAARN COCc1nn2c(nnc3c2ccn(CCC(C)C)c3=O)c1-c1ccccc1 ZINC000040391108 210785049 /nfs/dbraw/zinc/78/50/49/210785049.db2.gz QCEJQGRPITWRPH-UHFFFAOYSA-N 0 0 377.448 3.299 50 0 GGAARN CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccc(OC)cc1 ZINC000040309887 210784262 /nfs/dbraw/zinc/78/42/62/210784262.db2.gz NFZWTIHUUGKDOG-JOCHJYFZSA-N 0 0 393.443 3.023 50 0 biogenic GGAARN CC(C)c1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 ZINC000038833738 210758971 /nfs/dbraw/zinc/75/89/71/210758971.db2.gz KBTZTGWZTYHWHE-IBGZPJMESA-N 0 0 388.489 3.366 50 0 GGAARN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(Cl)cc1C)O2 ZINC000038849538 210758975 /nfs/dbraw/zinc/75/89/75/210758975.db2.gz KMDLZAYKAXFTCG-KRWDZBQOSA-N 0 0 394.880 3.123 50 0 GGAARN CS(=O)(=O)N1CC[C@H](C(=O)Nc2cccc(F)c2)Oc2ccc(Cl)cc21 ZINC000038851096 210758625 /nfs/dbraw/zinc/75/86/25/210758625.db2.gz NSAMKONPXDLCGB-MRXNPFEDSA-N 0 0 398.843 3.035 50 0 GGAARN COc1ccc(CCn2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)cc1 ZINC000038828618 210757919 /nfs/dbraw/zinc/75/79/19/210757919.db2.gz MBXCWXQGVIEFQQ-UHFFFAOYSA-N 0 0 397.438 3.358 50 0 GGAARN O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCC(Cc2ccccc2)CC1 ZINC000038790852 210757978 /nfs/dbraw/zinc/75/79/78/210757978.db2.gz FXHJWAFTQRFYMF-UHFFFAOYSA-N 0 0 387.483 3.392 50 0 GGAARN CCc1c(C)nc2n(c1=O)CN(Cc1ccccn1)CN2c1ccc(OC)cc1 ZINC000038829955 210757559 /nfs/dbraw/zinc/75/75/59/210757559.db2.gz GTSTWEVBQQFVIO-UHFFFAOYSA-N 0 0 391.475 3.087 50 0 GGAARN COc1ccc(-c2c3c(ccn(CCc4ccccc4)c3=O)nc3ncnn32)cc1 ZINC000038828746 210757629 /nfs/dbraw/zinc/75/76/29/210757629.db2.gz HDJBBGBMJIGPDC-UHFFFAOYSA-N 0 0 397.438 3.358 50 0 GGAARN CN(C[C@@H]1COCCO1)c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1 ZINC000039485377 210763249 /nfs/dbraw/zinc/76/32/49/210763249.db2.gz YPSAJBDTZRBBPH-MRXNPFEDSA-N 0 0 386.839 3.304 50 0 GGAARN COc1cccc(-c2noc(-c3ccc(N4C[C@@H](C)O[C@@H](C)C4)nc3)n2)c1OC ZINC000039442058 210760759 /nfs/dbraw/zinc/76/07/59/210760759.db2.gz XWSDQAQOOKDUFJ-OKILXGFUSA-N 0 0 396.447 3.429 50 0 GGAARN CS(=O)(=O)N1CC[C@H](C(=O)Nc2ccccc2F)Oc2ccc(Cl)cc21 ZINC000038849276 210759485 /nfs/dbraw/zinc/75/94/85/210759485.db2.gz VELFTZANOLWZJU-MRXNPFEDSA-N 0 0 398.843 3.035 50 0 GGAARN COc1ccc(-c2c3c(ccn(CCC(C)C)c3=O)nc3nc(C)nn32)cc1 ZINC000038828764 210756758 /nfs/dbraw/zinc/75/67/58/210756758.db2.gz JKIQAHZLTCIBDK-UHFFFAOYSA-N 0 0 377.448 3.469 50 0 GGAARN CC(C)(C)OC(=O)N1CC[C@@H](COc2ncc(Br)cc2C=O)C1 ZINC000038534086 210755929 /nfs/dbraw/zinc/75/59/29/210755929.db2.gz YAJQRHYUMDOISZ-LLVKDONJSA-N 0 0 385.258 3.292 50 0 GGAARN Cc1noc(C)c1CNC(=O)c1nnn(-c2ccccc2C)c1-c1ccncc1 ZINC000077200486 210752024 /nfs/dbraw/zinc/75/20/24/210752024.db2.gz ALQXQEGJEKTSBX-UHFFFAOYSA-N 0 0 388.431 3.173 50 0 GGAARN O=C(NCC1CCN(C(=O)Nc2ccc(F)cc2)CC1)c1cc(C2CC2)on1 ZINC000077200931 210751665 /nfs/dbraw/zinc/75/16/65/210751665.db2.gz WPCCUNWTWFAXKL-UHFFFAOYSA-N 0 0 386.427 3.365 50 0 GGAARN O=C(Nc1ccccc1C(F)(F)F)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000077197610 210751367 /nfs/dbraw/zinc/75/13/67/210751367.db2.gz RKTLSAJLHARDNI-MRXNPFEDSA-N 0 0 378.350 3.072 50 0 GGAARN O=C(Nc1ccccc1Br)c1cn(C[C@H](O)c2ccccc2)nn1 ZINC000077197176 210750857 /nfs/dbraw/zinc/75/08/57/210750857.db2.gz GUCAZZMDCRLZCG-INIZCTEOSA-N 0 0 387.237 3.027 50 0 GGAARN COc1nn(C)cc1C(=O)Nc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000077180403 210749935 /nfs/dbraw/zinc/74/99/35/210749935.db2.gz VBTCZNLIDNSARX-CQSZACIVSA-N 0 0 378.432 3.172 50 0 GGAARN O=C(Nc1ccccc1Cl)c1c[nH]c(=O)n(Cc2ccccc2Cl)c1=O ZINC000077099317 210749083 /nfs/dbraw/zinc/74/90/83/210749083.db2.gz JNVGQKVSKGOIEM-UHFFFAOYSA-N 0 0 390.226 3.144 50 0 GGAARN Cn1nnn(-c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)c1=O ZINC000077100080 210748771 /nfs/dbraw/zinc/74/87/71/210748771.db2.gz CMHKZYBZOVPQNP-UHFFFAOYSA-N 0 0 397.866 3.070 50 0 GGAARN O=C(NCC1CCN(C(=O)c2ccoc2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000077099768 210748351 /nfs/dbraw/zinc/74/83/51/210748351.db2.gz QHWVZHZPHOQDJF-UHFFFAOYSA-N 0 0 385.508 3.400 50 0 GGAARN O=C(NC[C@](O)(c1cccs1)C1CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000077099548 210747768 /nfs/dbraw/zinc/74/77/68/210747768.db2.gz ABOGYKNHNMWDHK-QGZVFWFLSA-N 0 0 398.406 3.119 50 0 GGAARN Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCN(c3ccccn3)CC1)nnc2C ZINC000036646269 210732105 /nfs/dbraw/zinc/73/21/05/210732105.db2.gz OJEPHWAKIHLLTE-UHFFFAOYSA-N 0 0 399.502 3.462 50 0 GGAARN Cc1nn([C@@H](C)c2nn3c(nnc3-c3ccncc3)s2)cc1Br ZINC000036357071 210722516 /nfs/dbraw/zinc/72/25/16/210722516.db2.gz JLBAJDFNBZBSIF-VIFPVBQESA-N 0 0 390.270 3.125 50 0 GGAARN CCOC(=O)c1sc(NC(=O)c2cc(C(C)C)nc3onc(C)c32)nc1C ZINC000036357312 210722593 /nfs/dbraw/zinc/72/25/93/210722593.db2.gz UTPNLQVKVUOXAU-UHFFFAOYSA-N 0 0 388.449 3.270 50 0 GGAARN COC(=O)CCNC(=O)c1ccc(COc2ccc(OC(F)(F)F)cc2)o1 ZINC000036352768 210720048 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GGAARN O=c1cc(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)[nH]c2ccccc12 ZINC000020784775 210361441 /nfs/dbraw/zinc/36/14/41/210361441.db2.gz ZRNUFCUCBFKMEM-SFHVURJKSA-N 0 0 383.517 3.071 50 0 GGAARN COc1cccc(N2CC[NH+]([C@H](C(=O)[O-])c3c(C)[nH]c4ccccc43)CC2)c1 ZINC000020745478 210361615 /nfs/dbraw/zinc/36/16/15/210361615.db2.gz MDBYFUKOTYDTPD-NRFANRHFSA-N 0 0 379.460 3.433 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21 ZINC000020745893 210361368 /nfs/dbraw/zinc/36/13/68/210361368.db2.gz WFGHGKGMPPJNIR-AWEZNQCLSA-N 0 0 397.822 3.129 50 0 GGAARN Cn1cc(/C=C/C(=O)N2CCC[C@H]2c2ccc(C(=O)N3CCCC3)s2)cn1 ZINC000020775907 210361404 /nfs/dbraw/zinc/36/14/04/210361404.db2.gz WESQICAKRLIRBB-FSNWXROXSA-N 0 0 384.505 3.095 50 0 GGAARN COc1ccc2[nH]c3c(c2c1)CCN([C@@H]1OC(=O)c2c1ccc(OC)c2OC)C3 ZINC000020760504 210361036 /nfs/dbraw/zinc/36/10/36/210361036.db2.gz KGTLBFXJXLNEDI-OAQYLSRUSA-N 0 0 394.427 3.421 50 0 biogenic GGAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccco2)C12CCCCC2 ZINC000020733749 210359794 /nfs/dbraw/zinc/35/97/94/210359794.db2.gz DRFCHNQMUZIZIV-FQEVSTJZSA-N 0 0 396.487 3.485 50 0 GGAARN COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N3)cc1 ZINC000020734895 210359815 /nfs/dbraw/zinc/35/98/15/210359815.db2.gz WLVFARXRUOSIKN-OAHLLOKOSA-N 0 0 397.822 3.129 50 0 GGAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCCCN1CCOCC1 ZINC000020734694 210359836 /nfs/dbraw/zinc/35/98/36/210359836.db2.gz HXZXBQUSWUVIAI-UHFFFAOYSA-N 0 0 377.488 3.147 50 0 GGAARN Oc1ccc(Cl)cc1C1N=NC(=S)N1c1ccc(Cn2cncn2)cc1 ZINC000020731103 210359874 /nfs/dbraw/zinc/35/98/74/210359874.db2.gz JUDGLPRIPYSYQW-UHFFFAOYSA-N 0 0 384.852 3.222 50 0 GGAARN O=C(Nc1ccc2oc(=O)ccc2c1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000020738153 210359663 /nfs/dbraw/zinc/35/96/63/210359663.db2.gz UJRPBQQPTADKMU-HNNXBMFYSA-N 0 0 396.830 3.434 50 0 GGAARN COc1cccc2c([C@@H](C(=O)[O-])[NH+]3CCN(c4ccc(F)cc4)CC3)c[nH]c21 ZINC000020745131 210359497 /nfs/dbraw/zinc/35/94/97/210359497.db2.gz XLHRLFYMBHVYFU-FQEVSTJZSA-N 0 0 383.423 3.264 50 0 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O=C(CN1C(=O)c2ccccc2C1=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000020720338 210357174 /nfs/dbraw/zinc/35/71/74/210357174.db2.gz LHKAPNABIONXHI-UHFFFAOYSA-N 0 0 393.830 3.002 50 0 GGAARN Cn1cc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000020722967 210356880 /nfs/dbraw/zinc/35/68/80/210356880.db2.gz SEKSLMJSCFPGQY-UHFFFAOYSA-N 0 0 381.863 3.430 50 0 GGAARN Cn1ncc(C(=O)Nc2ccc(F)cc2F)c1C(=O)Nc1ccc(F)cc1F ZINC000020616271 210353760 /nfs/dbraw/zinc/35/37/60/210353760.db2.gz GFPFBCCTSZLMNL-UHFFFAOYSA-N 0 0 392.312 3.481 50 0 GGAARN COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN([C@H](C)Cc1ccco1)CO3 ZINC000020623178 210353505 /nfs/dbraw/zinc/35/35/05/210353505.db2.gz SRAVOGQYKNUVIQ-CYBMUJFWSA-N 0 0 397.427 3.193 50 0 GGAARN Cn1nc(C(=O)Nc2ccc(F)cc2F)cc1C(=O)Nc1ccc(F)cc1F ZINC000020616477 210353317 /nfs/dbraw/zinc/35/33/17/210353317.db2.gz OCNPWADUKHSRLM-UHFFFAOYSA-N 0 0 392.312 3.481 50 0 GGAARN COc1ccc(Cn2nc(-c3cnn(C)c3)c(Cl)c2-c2cnn(C)c2)cc1 ZINC000020636885 210353364 /nfs/dbraw/zinc/35/33/64/210353364.db2.gz OWFHEFWFHIODPP-UHFFFAOYSA-N 0 0 382.855 3.394 50 0 GGAARN COC(=O)c1cnn2c1N[C@H](c1ccc3c(c1)OCCO3)C[C@@H]2C(F)(F)F ZINC000020616752 210353476 /nfs/dbraw/zinc/35/34/76/210353476.db2.gz QMCIFRAYMDIWTN-SMDDNHRTSA-N 0 0 383.326 3.101 50 0 GGAARN CCOC(=O)[C@@](NCc1ccccc1)(NC(=O)Nc1ccccc1)C(F)(F)F ZINC000020609081 210352361 /nfs/dbraw/zinc/35/23/61/210352361.db2.gz AJAQGHCOHPHJDW-GOSISDBHSA-N 0 0 395.381 3.420 50 0 GGAARN O=C(c1noc2c1CCCC2)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000020614117 210352131 /nfs/dbraw/zinc/35/21/31/210352131.db2.gz FVYPRCBOZQGTEX-UHFFFAOYSA-N 0 0 377.847 3.304 50 0 GGAARN CCn1ncc(Br)c1CN(C)S(=O)(=O)c1cc(C)ccc1C ZINC000020614270 210351900 /nfs/dbraw/zinc/35/19/00/210351900.db2.gz VCPDLUCLKKTWQU-UHFFFAOYSA-N 0 0 386.315 3.103 50 0 GGAARN O=C([C@H]1CC(c2ccc(F)cc2)=NO1)N1CC[C@H](C(F)(F)F)n2nccc21 ZINC000020608269 210351987 /nfs/dbraw/zinc/35/19/87/210351987.db2.gz WXTBNGMRJDQCPL-ZIAGYGMSSA-N 0 0 382.317 3.056 50 0 GGAARN CC[C@@H](C(=O)N[C@@H](C)Cn1nc(C)cc1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607660 210351991 /nfs/dbraw/zinc/35/19/91/210351991.db2.gz DUCMJEYRTIGURO-WFASDCNBSA-N 0 0 397.445 3.360 50 0 GGAARN CC[C@H](C(=O)NC[C@H](C)Cn1ccc(C)n1)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607689 210351811 /nfs/dbraw/zinc/35/18/11/210351811.db2.gz QNSOBESUUUOQLX-SWLSCSKDSA-N 0 0 397.445 3.299 50 0 GGAARN COC(=O)c1cc(-c2cccc(OC)c2)nc2c1c(=O)[nH]c(=S)n2C1CC1 ZINC000020608044 210351666 /nfs/dbraw/zinc/35/16/66/210351666.db2.gz WLHQMBKCTBFHOQ-UHFFFAOYSA-N 0 0 383.429 3.251 50 0 GGAARN Cc1cc(-c2n[nH]c3c2CN(C(=O)c2ccc([C@H]4CCCO4)s2)CC3)no1 ZINC000020601945 210351221 /nfs/dbraw/zinc/35/12/21/210351221.db2.gz YBJAEDKYVTWAFW-OAHLLOKOSA-N 0 0 384.461 3.485 50 0 GGAARN COCC(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000020599302 210351294 /nfs/dbraw/zinc/35/12/94/210351294.db2.gz MRRZNCFPSUWSEC-UHFFFAOYSA-N 0 0 393.443 3.318 50 0 GGAARN Cc1c[nH]c(C(=O)N2CCC[C@@H]2c2ccc(C(=O)Nc3cccnc3)s2)n1 ZINC000020598384 210351162 /nfs/dbraw/zinc/35/11/62/210351162.db2.gz URYNSFFVUHNRIS-CQSZACIVSA-N 0 0 381.461 3.404 50 0 GGAARN CCn1cc(NC(=O)Cn2nc(C)c3c2nc(C)cc3C(F)(F)F)c(C)n1 ZINC000020602195 210351107 /nfs/dbraw/zinc/35/11/07/210351107.db2.gz WSMLNNHBGGZBIN-UHFFFAOYSA-N 0 0 380.374 3.230 50 0 GGAARN COc1ccc(-c2coc3c(C)c(OCCN4CCOCC4)ccc3c2=O)cc1 ZINC000020589448 210351122 /nfs/dbraw/zinc/35/11/22/210351122.db2.gz OMXYTYWIJGIBMX-UHFFFAOYSA-N 0 0 395.455 3.488 50 0 biogenic GGAARN O=C(Nc1ccn(Cc2ccc(F)cc2)n1)[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000020602221 210350672 /nfs/dbraw/zinc/35/06/72/210350672.db2.gz HJZUJXMTAMSQOQ-SFHVURJKSA-N 0 0 382.370 3.341 50 0 GGAARN OCC[C@H]1CN(Cc2cccn2-c2cccnc2)CCN1Cc1ccccc1F ZINC000020599898 210350771 /nfs/dbraw/zinc/35/07/71/210350771.db2.gz JOOPXKJRVQZIMR-NRFANRHFSA-N 0 0 394.494 3.080 50 0 GGAARN O=C(c1cc(-c2cnn(CCO)c2)nc2ccccc21)N1Cc2ccccc2C1 ZINC000020600810 210350407 /nfs/dbraw/zinc/35/04/07/210350407.db2.gz BVZVFXFERYGTAC-UHFFFAOYSA-N 0 0 384.439 3.247 50 0 GGAARN CCCCN1C[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1=O ZINC000020582852 210350210 /nfs/dbraw/zinc/35/02/10/210350210.db2.gz SECMSQFLFXKRFG-SFHVURJKSA-N 0 0 393.487 3.204 50 0 GGAARN CCOc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccn(C)n2)cc1 ZINC000020602499 210349802 /nfs/dbraw/zinc/34/98/02/210349802.db2.gz QIERHZUKECWBDO-UHFFFAOYSA-N 0 0 399.516 3.252 50 0 GGAARN CCOc1ccccc1CN1CCN(Cc2ccc(OC)c(C)c2)C[C@@H]1CCO ZINC000020600608 210349583 /nfs/dbraw/zinc/34/95/83/210349583.db2.gz ULCQMUGVIUTXMI-QFIPXVFZSA-N 0 0 398.547 3.471 50 0 GGAARN O=C(NC1CCCCCC1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 ZINC000020599798 210349626 /nfs/dbraw/zinc/34/96/26/210349626.db2.gz ZKDVGBFCQKSKSW-UHFFFAOYSA-N 0 0 396.535 3.445 50 0 GGAARN CCCCN1C[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1=O ZINC000020582856 210349482 /nfs/dbraw/zinc/34/94/82/210349482.db2.gz SECMSQFLFXKRFG-GOSISDBHSA-N 0 0 393.487 3.204 50 0 GGAARN C[C@H](c1ccccc1)N1CNc2c(c(=O)[nH]c(=S)n2Cc2cccnc2)C1 ZINC000020567516 210348811 /nfs/dbraw/zinc/34/88/11/210348811.db2.gz RYBNSURELZWGPM-CQSZACIVSA-N 0 0 379.489 3.295 50 0 GGAARN COc1cc2c(cc1OC)[C@H](C)N([C@H]1CC(=O)N(c3ccc(C)cc3)C1=O)CC2 ZINC000020567541 210348658 /nfs/dbraw/zinc/34/86/58/210348658.db2.gz PUMVXOHJUNWCMM-KXBFYZLASA-N 0 0 394.471 3.263 50 0 GGAARN COc1ccc(-n2c3c(c(=O)[nH]c2=S)CN(Cc2ccccc2)CN3)cc1 ZINC000020567696 210348573 /nfs/dbraw/zinc/34/85/73/210348573.db2.gz QDZCTILRXBURBH-UHFFFAOYSA-N 0 0 380.473 3.289 50 0 GGAARN C[C@@H](c1ccccc1)N1CNc2c(c(=O)[nH]c(=O)n2-c2cccc(Cl)c2)C1 ZINC000020567353 210348174 /nfs/dbraw/zinc/34/81/74/210348174.db2.gz KWHFVMVHFNRZCM-ZDUSSCGKSA-N 0 0 382.851 3.125 50 0 GGAARN CSc1nc2c3c(sc2c(NCCN2CCOCC2)n1)CC(C)(C)OC3 ZINC000020573539 210348189 /nfs/dbraw/zinc/34/81/89/210348189.db2.gz RFEQWQHBRKPLOE-UHFFFAOYSA-N 0 0 394.566 3.009 50 0 GGAARN CCOC(=O)C1=C(CN(C)Cc2ccccc2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559011 210348372 /nfs/dbraw/zinc/34/83/72/210348372.db2.gz QWQARMVAQFZAMO-GOSISDBHSA-N 0 0 385.489 3.051 50 0 GGAARN 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O=C(Nc1ccnn1C1CCN(Cc2nc3c(s2)CCCC3)CC1)C1CC1 ZINC000019607949 210274696 /nfs/dbraw/zinc/27/46/96/210274696.db2.gz QJPIYUPUKYFUAN-UHFFFAOYSA-N 0 0 385.537 3.404 50 0 GGAARN CCSc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000019708343 210283165 /nfs/dbraw/zinc/28/31/65/210283165.db2.gz VGXAUABGTLEXCN-UHFFFAOYSA-N 0 0 387.534 3.462 50 0 GGAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000019625113 210278450 /nfs/dbraw/zinc/27/84/50/210278450.db2.gz BENPFXJQFDSXFW-RWENRRORSA-N 0 0 379.504 3.300 50 0 GGAARN COc1ccccc1N1CCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000019632700 210278143 /nfs/dbraw/zinc/27/81/43/210278143.db2.gz HRRBJVNMSRJFHQ-FQEVSTJZSA-N 0 0 392.499 3.410 50 0 world GGAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000019625120 210278153 /nfs/dbraw/zinc/27/81/53/210278153.db2.gz BENPFXJQFDSXFW-YYAZDPENSA-N 0 0 379.504 3.300 50 0 GGAARN COc1cc(CCC(=O)Nc2nnc(C(C)(C)C)s2)cc(OC)c1OC ZINC000019625108 210278041 /nfs/dbraw/zinc/27/80/41/210278041.db2.gz DQCDVLOLHGLVKW-UHFFFAOYSA-N 0 0 379.482 3.433 50 0 biogenic,in-vitro GGAARN O=C1OCCCN1CCNc1ccc(-c2nc(-c3ccccc3F)no2)cn1 ZINC000019595531 210275533 /nfs/dbraw/zinc/27/55/33/210275533.db2.gz MIFPXVQYNBYBFG-UHFFFAOYSA-N 0 0 383.383 3.192 50 0 GGAARN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C2C3CC4CC(C3)CC2C4)cc1 ZINC000000781567 220458564 /nfs/dbraw/zinc/45/85/64/220458564.db2.gz NRDLLQOZTOLFDY-DAFVDEOWSA-N 0 0 376.522 3.384 50 0 GGAARN COc1ccc(CNC2=NC(=O)C[C@H](C(=O)Nc3ccccc3C)S2)cc1 ZINC000001132311 220477915 /nfs/dbraw/zinc/47/79/15/220477915.db2.gz LLONZDGAOOQABK-QGZVFWFLSA-N 0 0 383.473 3.120 50 0 GGAARN CC1=C(C(N)=O)[C@@H](c2cccs2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000001131779 220478521 /nfs/dbraw/zinc/47/85/21/220478521.db2.gz SGXXHDBGFJZNKY-OAHLLOKOSA-N 0 0 383.502 3.028 50 0 GGAARN O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)c1ccc(F)cc1 ZINC000001427133 220496555 /nfs/dbraw/zinc/49/65/55/220496555.db2.gz IUYQVFNGIQYHJD-UHFFFAOYSA-N 0 0 379.416 3.479 50 0 GGAARN COc1cc([C@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cc(OC)c1OC ZINC000001426872 220496587 /nfs/dbraw/zinc/49/65/87/220496587.db2.gz MDYSEHMRKKDOAB-CYBMUJFWSA-N 0 0 382.368 3.260 50 0 biogenic GGAARN CCOC(=O)Cn1nc(C)c(NC(=O)COc2ccc3ccccc3c2)c1C ZINC000001426761 220498009 /nfs/dbraw/zinc/49/80/09/220498009.db2.gz QQKLLNVQXBVQRJ-UHFFFAOYSA-N 0 0 381.432 3.234 50 0 GGAARN O=S(=O)(N[C@@H]1CCCC[C@H]1n1cc(-c2ccccc2)nn1)c1ccccc1 ZINC000001430736 220498070 /nfs/dbraw/zinc/49/80/70/220498070.db2.gz NLJJVZHGNYMKSU-UYAOXDASSA-N 0 0 382.489 3.407 50 0 GGAARN CCCCc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000002866452 220577675 /nfs/dbraw/zinc/57/76/75/220577675.db2.gz FSFQUAWYUPFUMZ-CQSZACIVSA-N 0 0 378.469 3.474 50 0 GGAARN CC(C)c1ccc(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)cc1 ZINC000002989231 220592660 /nfs/dbraw/zinc/59/26/60/220592660.db2.gz GJNXHJWJISZGIF-UHFFFAOYSA-N 0 0 386.583 3.224 50 0 GGAARN Cc1cccc(CC(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)c1 ZINC000005097625 220828356 /nfs/dbraw/zinc/82/83/56/220828356.db2.gz MUSIVXKEMRNMSI-UHFFFAOYSA-N 0 0 378.881 3.370 50 0 GGAARN CCOc1cc(CNC(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OC ZINC000005123631 220833316 /nfs/dbraw/zinc/83/33/16/220833316.db2.gz CGDRRDKYVJYDPR-KRWDZBQOSA-N 0 0 397.475 3.007 50 0 GGAARN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1Br ZINC000006495740 220937224 /nfs/dbraw/zinc/93/72/24/220937224.db2.gz RSGFIZUJZGDLDA-UHFFFAOYSA-N 0 0 395.640 3.467 50 0 GGAARN Cc1c(S(=O)(=O)CCNC(=O)Nc2ccccc2F)c2ccccc2n1C ZINC000008808475 221060023 /nfs/dbraw/zinc/06/00/23/221060023.db2.gz JIBNMCAJJRNRKF-UHFFFAOYSA-N 0 0 389.452 3.221 50 0 GGAARN COC(=O)C1C(C)=Nc2nc(SC)nn2[C@H]1c1cccc(Br)c1 ZINC000008843465 221060343 /nfs/dbraw/zinc/06/03/43/221060343.db2.gz PLKYSTVRCMXXAK-LBPRGKRZSA-N 0 0 395.282 3.224 50 0 GGAARN CC(C)c1ccc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)cc1 ZINC000008765198 221056410 /nfs/dbraw/zinc/05/64/10/221056410.db2.gz KRPHILCZNWFGIK-UHFFFAOYSA-N 0 0 377.444 3.484 50 0 biogenic GGAARN CCOC(=O)c1cccc(NC(=O)C[C@@H]2OC(=O)c3c2ccc(OC)c3OC)c1 ZINC000009053179 221068894 /nfs/dbraw/zinc/06/88/94/221068894.db2.gz ZDHLCZSTVSOGMK-INIZCTEOSA-N 0 0 399.399 3.121 50 0 GGAARN CC(=O)Nc1ccccc1C(=O)N1CCN(c2cc(C)c3ccccc3n2)CC1 ZINC000009052722 221069439 /nfs/dbraw/zinc/06/94/39/221069439.db2.gz XGUQRCMVNSIDDB-UHFFFAOYSA-N 0 0 388.471 3.464 50 0 GGAARN Cc1cc2cc(C(=O)N3CCC[C@@H](CCC(=O)N4CCOCC4)C3)ccc2o1 ZINC000011817582 221127118 /nfs/dbraw/zinc/12/71/18/221127118.db2.gz SDPKIZHLGPFMDF-KRWDZBQOSA-N 0 0 384.476 3.232 50 0 GGAARN O=C(CSc1ccccn1)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000011821906 221128721 /nfs/dbraw/zinc/12/87/21/221128721.db2.gz QRANRNGDFBYHNV-INIZCTEOSA-N 0 0 377.473 3.220 50 0 GGAARN Cc1cccnc1CCNC(=O)c1coc(COc2cccc3cnccc32)n1 ZINC000011821173 221129302 /nfs/dbraw/zinc/12/93/02/221129302.db2.gz IEFGYBKIYUHSFW-UHFFFAOYSA-N 0 0 388.427 3.478 50 0 GGAARN O=C(NCc1cccnc1-n1cnc2ccccc21)[C@@H]1COc2ccccc2C1 ZINC000011821261 221129582 /nfs/dbraw/zinc/12/95/82/221129582.db2.gz XPVVEFGJWVBGBT-SFHVURJKSA-N 0 0 384.439 3.288 50 0 GGAARN CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccc4c(c3)no[n+]4[O-])C2)cc1 ZINC000011821074 221129884 /nfs/dbraw/zinc/12/98/84/221129884.db2.gz JRRSADZNSKXTKO-SFHVURJKSA-N 0 0 380.448 3.301 50 0 GGAARN COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)c2ccoc2)CC1 ZINC000011840939 221130581 /nfs/dbraw/zinc/13/05/81/221130581.db2.gz XFOUEOOBDHBKKY-UHFFFAOYSA-N 0 0 394.431 3.214 50 0 GGAARN COC[C@@H]1CCN(C(=O)c2coc(COc3cccc(C(F)(F)F)c3)n2)C1 ZINC000011839328 221130596 /nfs/dbraw/zinc/13/05/96/221130596.db2.gz JOLAUQKZORKHSS-GFCCVEGCSA-N 0 0 384.354 3.381 50 0 GGAARN COC[C@H]1CCCN(C(=O)c2cc(COc3ccccc3SC)on2)C1 ZINC000011839000 221130724 /nfs/dbraw/zinc/13/07/24/221130724.db2.gz HFLNLJRRIXBRHW-AWEZNQCLSA-N 0 0 376.478 3.474 50 0 GGAARN Cc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)cn1 ZINC000011841026 221130813 /nfs/dbraw/zinc/13/08/13/221130813.db2.gz KITDSIBDQADZMZ-JOCHJYFZSA-N 0 0 399.441 3.323 50 0 GGAARN O=C(NCCc1ccccn1)[C@@H]1CC12CCN(C(=O)c1ccccc1Cl)CC2 ZINC000011839125 221131322 /nfs/dbraw/zinc/13/13/22/221131322.db2.gz NHCONBLUDUBICM-SFHVURJKSA-N 0 0 397.906 3.336 50 0 GGAARN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NC(=O)c2ccc[n+]([O-])c2)C1 ZINC000011841818 221131895 /nfs/dbraw/zinc/13/18/95/221131895.db2.gz YSQGEBZSROTEPN-GOSISDBHSA-N 0 0 380.423 3.088 50 0 GGAARN O=C(Cc1ccc2c(c1)OCO2)NCc1cccnc1N1CCCCCCC1 ZINC000011841497 221132511 /nfs/dbraw/zinc/13/25/11/221132511.db2.gz KPMBJCVRCXLOCA-UHFFFAOYSA-N 0 0 381.476 3.440 50 0 GGAARN CCOC(=O)Cc1csc(NC(=O)c2cc(C3CC3)nc3onc(C)c32)n1 ZINC000011173050 221112174 /nfs/dbraw/zinc/11/21/74/221112174.db2.gz ZBMXEILVOJCBSN-UHFFFAOYSA-N 0 0 386.433 3.223 50 0 GGAARN Cc1ncoc1C(=O)N1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000011933556 221137160 /nfs/dbraw/zinc/13/71/60/221137160.db2.gz YAGJMUYAJZKCSJ-QFIPXVFZSA-N 0 0 381.476 3.071 50 0 GGAARN Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)c3ccc4sc(C)nc4c3)C2)no1 ZINC000011934192 221137354 /nfs/dbraw/zinc/13/73/54/221137354.db2.gz FOULEWARXJFYPQ-CQSZACIVSA-N 0 0 398.488 3.183 50 0 GGAARN CC(=O)c1cccc(OCc2cc(C(=O)N(Cc3cnn(C)c3)C(C)C)no2)c1 ZINC000011933950 221137685 /nfs/dbraw/zinc/13/76/85/221137685.db2.gz FOCMBVFTOFCEIX-UHFFFAOYSA-N 0 0 396.447 3.241 50 0 GGAARN COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3n[nH]c4ccccc43)C2)cc1OC ZINC000011936643 221138765 /nfs/dbraw/zinc/13/87/65/221138765.db2.gz XRUOKSMZPQMQOC-HNNXBMFYSA-N 0 0 393.443 3.315 50 0 GGAARN Cc1ncoc1C(=O)NCCN1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000012122429 221154448 /nfs/dbraw/zinc/15/44/48/221154448.db2.gz HEWXLVBHIJYBJK-FQEVSTJZSA-N 0 0 377.444 3.349 50 0 GGAARN Cc1csc(SCC(=O)NC[C@H]2Cc3cccc(-c4cnccn4)c3O2)n1 ZINC000012129420 221155302 /nfs/dbraw/zinc/15/53/02/221155302.db2.gz SDADDKMXNNJWAE-CQSZACIVSA-N 0 0 398.513 3.121 50 0 GGAARN Cc1ccc(O)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(CCCO)C3=O)c1 ZINC000011916359 221136170 /nfs/dbraw/zinc/13/61/70/221136170.db2.gz RMLNLTCDQKFIEF-FQEVSTJZSA-N 0 0 381.407 3.157 50 0 GGAARN O=C(Nc1nonc1-c1ccccc1)c1nn(-c2cccc(Cl)c2)ccc1=O ZINC000011914790 221136419 /nfs/dbraw/zinc/13/64/19/221136419.db2.gz HQZYCKNHEKBCDA-UHFFFAOYSA-N 0 0 393.790 3.188 50 0 GGAARN CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2cc(Cc3cccc(F)c3)no2)C1 ZINC000012182792 221162729 /nfs/dbraw/zinc/16/27/29/221162729.db2.gz MEEXRXOKGFWLRM-INIZCTEOSA-N 0 0 387.455 3.125 50 0 GGAARN CC[C@H]1CN(CCNC(=O)Cc2cccc(C)c2)Cc2cc(OC)ccc2O1 ZINC000012182359 221162953 /nfs/dbraw/zinc/16/29/53/221162953.db2.gz WMUJWQCRWFRMAX-FQEVSTJZSA-N 0 0 382.504 3.336 50 0 GGAARN COCCN1COc2ccc3cc(-c4ccc(OC)c(OC)c4)c(=O)oc3c2C1 ZINC000012442393 221195335 /nfs/dbraw/zinc/19/53/35/221195335.db2.gz YBHFQGYFHRPNKE-UHFFFAOYSA-N 0 0 397.427 3.276 50 0 biogenic GGAARN COc1ccc2c(c1)nc(C)cc2C(=O)N1CCOc2ccc(CO)cc2C1 ZINC000426478129 533305384 /nfs/dbraw/zinc/30/53/84/533305384.db2.gz QDQXHDLGQGRZGM-UHFFFAOYSA-N 0 0 378.428 3.079 50 0 GGAARN COC[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(-c4nn[nH]n4)cc3)c2)C1 ZINC000426492770 533363639 /nfs/dbraw/zinc/36/36/39/533363639.db2.gz HSCASIFCYJNNNM-OAHLLOKOSA-N 0 0 377.448 3.032 50 0 GGAARN CO[C@]12CCN(C(=O)Cc3cc(F)cc(F)c3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426583981 533383957 /nfs/dbraw/zinc/38/39/57/533383957.db2.gz ICBYWOWHIARGRD-SVFBPWRDSA-N 0 0 379.447 3.473 50 0 GGAARN CO[C@]12CCN(C(=O)c3cc(C(C)C)nn3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426599816 533383966 /nfs/dbraw/zinc/38/39/66/533383966.db2.gz XCVZWBNCSBOOLC-LKUPVBHCSA-N 0 0 375.513 3.122 50 0 GGAARN COc1cccc(C(=O)N2CC[C@]3(OC)CC[C@@H](Oc4ccccn4)C[C@H]23)c1 ZINC000426435399 533402425 /nfs/dbraw/zinc/40/24/25/533402425.db2.gz LKLIPIMTJHYYAQ-XQBPLPMBSA-N 0 0 382.460 3.321 50 0 GGAARN COc1cccc(N2CCN(C(=O)NCCc3ncccc3C)CC2(C)C)c1 ZINC000426465111 533579081 /nfs/dbraw/zinc/57/90/81/533579081.db2.gz GEGRSVQPHTYHEU-UHFFFAOYSA-N 0 0 382.508 3.252 50 0 GGAARN Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH]c(NCc2ccccc2)n1 ZINC000039383648 132390891 /nfs/dbraw/zinc/39/08/91/132390891.db2.gz MICHBLMDTJTOEV-UHFFFAOYSA-N 0 0 376.464 3.138 50 0 GGAARN NC(=O)[C@H]1CCCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)C1 ZINC000039466935 132391443 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O=C(c1cc2ccccc2o1)N1CCN(c2ccc(-c3ccccn3)nn2)CC1 ZINC000056903534 132447876 /nfs/dbraw/zinc/44/78/76/132447876.db2.gz IBBGHKALUOGNJA-UHFFFAOYSA-N 0 0 385.427 3.247 50 0 GGAARN O=C(CSc1cc(N2CCSCC2)ncn1)Nc1ccccc1Cl ZINC000057505598 132453115 /nfs/dbraw/zinc/45/31/15/132453115.db2.gz IDOOZDMQCDAPLU-UHFFFAOYSA-N 0 0 380.926 3.414 50 0 GGAARN CSc1cccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000061718298 136155974 /nfs/dbraw/zinc/15/59/74/136155974.db2.gz PYKRHJHJFVPACW-INIZCTEOSA-N 0 0 398.532 3.267 50 0 GGAARN Cc1c(C)c(=O)oc2cc(OCC(=O)c3ccc4c(c3)N(C)C(=O)CO4)ccc12 ZINC000061720471 136156025 /nfs/dbraw/zinc/15/60/25/136156025.db2.gz OGTROYJIQCESSG-UHFFFAOYSA-N 0 0 393.395 3.027 50 0 biogenic GGAARN Cc1ccccc1Nc1nnc(CC(=O)N2CCN(c3ccccc3)CC2)s1 ZINC000062007186 136156226 /nfs/dbraw/zinc/15/62/26/136156226.db2.gz JCKRFIYFPGGIBP-UHFFFAOYSA-N 0 0 393.516 3.481 50 0 GGAARN CCCc1cnc(N2CCN(CC(=O)Nc3ccc(C(C)C)cc3)CC2)nc1 ZINC000063150934 136156364 /nfs/dbraw/zinc/15/63/64/136156364.db2.gz 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GGAARN O=c1cc(N2CCN(c3cccc(Cl)c3)CC2)[nH]c(=O)n1C1CCCCC1 ZINC000002961221 560188501 /nfs/dbraw/zinc/18/85/01/560188501.db2.gz CHMQQIFPOIZPIJ-UHFFFAOYSA-N 0 0 388.899 3.022 50 0 in-vitro GGAARN C/C=C(\C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc32)OC(C)(C)[C@@H]1OC(C)=O ZINC000003984029 560193081 /nfs/dbraw/zinc/19/30/81/560193081.db2.gz LYUZYPKZQDYMEE-CCGSVPMNSA-N 0 0 386.400 3.446 50 0 biogenic,in-vitro GGAARN [NH3+][C@H](C(=O)[O-])[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000004577479 560198715 /nfs/dbraw/zinc/19/87/15/560198715.db2.gz GZLRNTMXOXBIRR-FCHUYYIVSA-N 0 0 393.439 3.290 50 0 biogenic,in-vitro GGAARN [NH3+][C@@H](C(=O)[O-])[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000004577485 560198725 /nfs/dbraw/zinc/19/87/25/560198725.db2.gz GZLRNTMXOXBIRR-FGZHOGPDSA-N 0 0 393.439 3.290 50 0 biogenic,in-vitro GGAARN COc1cc(-c2coc3cc4c(c(OC)c3c2=O)OCO4)cc(OC)c1OC ZINC000005999015 560204177 /nfs/dbraw/zinc/20/41/77/560204177.db2.gz RISXUTCDCPHJFQ-UHFFFAOYSA-N 0 0 386.356 3.223 50 0 biogenic,in-vitro GGAARN Cc1ccc(-n2c(SCc3cn4ccccc4n3)nc3c2nc[nH]c3=O)cc1 ZINC000012462163 560212183 /nfs/dbraw/zinc/21/21/83/560212183.db2.gz PFQUFHPKSRIFKW-UHFFFAOYSA-N 0 0 388.456 3.357 50 0 biogenic,in-vitro GGAARN COC(=O)c1cc(NC(=O)c2cccc(Br)c2)cc(C(=O)OC)c1 ZINC000000834071 564181064 /nfs/dbraw/zinc/18/10/64/564181064.db2.gz HFVKRRFCAGUSHC-UHFFFAOYSA-N 0 0 392.205 3.275 50 0 GGAARN O=C1CS[C@]2(C(=O)Nc3ccccc32)N1c1cccc(Br)c1 ZINC000001061376 564182615 /nfs/dbraw/zinc/18/26/15/564182615.db2.gz MVXSGQMFLMVTGU-MRXNPFEDSA-N 0 0 375.247 3.334 50 0 GGAARN COC(=O)Cc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 ZINC000001125582 564183370 /nfs/dbraw/zinc/18/33/70/564183370.db2.gz WWYFPPHLLIVMKX-UHFFFAOYSA-N 0 0 378.222 3.182 50 0 GGAARN CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000001078664 564183413 /nfs/dbraw/zinc/18/34/13/564183413.db2.gz UCMYYSJYMLCIGR-UHFFFAOYSA-N 0 0 382.869 3.044 50 0 GGAARN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cccc(Br)c1 ZINC000001129505 564183486 /nfs/dbraw/zinc/18/34/86/564183486.db2.gz YZKCDLBXZFSMRU-UHFFFAOYSA-N 0 0 389.249 3.174 50 0 GGAARN CN(c1ccccc1C(=O)Nc1ccccc1Br)S(C)(=O)=O ZINC000001129300 564183561 /nfs/dbraw/zinc/18/35/61/564183561.db2.gz STVYZUOROBBTKA-UHFFFAOYSA-N 0 0 383.267 3.097 50 0 GGAARN O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(Br)cn1 ZINC000001127504 564183778 /nfs/dbraw/zinc/18/37/78/564183778.db2.gz QQRNAUQJVACKAB-UHFFFAOYSA-N 0 0 390.266 3.156 50 0 GGAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1O ZINC000001180872 564184199 /nfs/dbraw/zinc/18/41/99/564184199.db2.gz NDVSTDFPXORLOT-UHFFFAOYSA-N 0 0 381.251 3.290 50 0 GGAARN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000001228312 564184589 /nfs/dbraw/zinc/18/45/89/564184589.db2.gz OCBDYHJKMYHJNH-UHFFFAOYSA-N 0 0 384.251 3.427 50 0 GGAARN CCOC(=O)Cc1csc(NC(=O)Cc2ccc(Br)cc2)n1 ZINC000001183361 564184607 /nfs/dbraw/zinc/18/46/07/564184607.db2.gz PPYLZJKKOXFUSS-UHFFFAOYSA-N 0 0 383.267 3.192 50 0 GGAARN O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](C(Cl)(Cl)Cl)S1 ZINC000001203697 564184718 /nfs/dbraw/zinc/18/47/18/564184718.db2.gz BSZUGGXACBFKEQ-VIFPVBQESA-N 0 0 395.116 3.300 50 0 GGAARN Cc1cccc(NC(=S)NC(=O)c2ccccc2I)n1 ZINC000001418802 564185585 /nfs/dbraw/zinc/18/55/85/564185585.db2.gz ISNIDNJGXIWHHY-UHFFFAOYSA-N 0 0 397.241 3.121 50 0 GGAARN CCOc1ccc(-n2ccnc2SCC(=O)Nc2nnc(C)s2)cc1 ZINC000002723198 564189449 /nfs/dbraw/zinc/18/94/49/564189449.db2.gz LNIUWIDFELLGJA-UHFFFAOYSA-N 0 0 375.479 3.162 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCN=C2SCc2ccccc2C)cc1 ZINC000002711510 564189613 /nfs/dbraw/zinc/18/96/13/564189613.db2.gz XTIUNEXDKGCFLC-UHFFFAOYSA-N 0 0 376.503 3.297 50 0 GGAARN Cc1nc(C)n(C[C@@H](O)COc2ccc3cc(Br)ccc3c2)n1 ZINC000002858927 564191251 /nfs/dbraw/zinc/19/12/51/564191251.db2.gz BDTADVQLXVDSMJ-MRXNPFEDSA-N 0 0 376.254 3.251 50 0 GGAARN COc1ccc(CCNC(=O)c2ccc(I)cc2)cc1 ZINC000002873288 564191335 /nfs/dbraw/zinc/19/13/35/564191335.db2.gz ZTOSECMMXXQBSB-UHFFFAOYSA-N 0 0 381.213 3.272 50 0 biogenic GGAARN O=C(CCCCCN1C(=O)CCC1=O)Nc1ccc(Br)cc1F ZINC000002866854 564191383 /nfs/dbraw/zinc/19/13/83/564191383.db2.gz OVGLDVHTGRJARG-UHFFFAOYSA-N 0 0 385.233 3.236 50 0 GGAARN CSc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002861714 564191441 /nfs/dbraw/zinc/19/14/41/564191441.db2.gz YAUZWNTYPCLUIY-UHFFFAOYSA-N 0 0 384.910 3.321 50 0 GGAARN O=C(Nn1cnnc1)c1cc(-c2cccnc2)nc2ccc(Br)cc21 ZINC000002867574 564191451 /nfs/dbraw/zinc/19/14/51/564191451.db2.gz NMFZFAILZSRBFL-UHFFFAOYSA-N 0 0 395.220 3.035 50 0 GGAARN CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000002850572 564191587 /nfs/dbraw/zinc/19/15/87/564191587.db2.gz KCWFHFZHICTZRP-LBPRGKRZSA-N 0 0 384.270 3.018 50 0 GGAARN COc1ccc(Br)cc1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000002861907 564191659 /nfs/dbraw/zinc/19/16/59/564191659.db2.gz ZVLVJFMZMYXWJG-LBPRGKRZSA-N 0 0 378.222 3.028 50 0 GGAARN O=Cc1ccc(OCC(=O)Nc2cccc(I)c2)cc1 ZINC000002860854 564191706 /nfs/dbraw/zinc/19/17/06/564191706.db2.gz QRNDLZPXSGGBEU-UHFFFAOYSA-N 0 0 381.169 3.121 50 0 GGAARN C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1F ZINC000002876573 564191725 /nfs/dbraw/zinc/19/17/25/564191725.db2.gz GLMRZRNRHPPOKS-VIFPVBQESA-N 0 0 391.251 3.438 50 0 GGAARN CC1(C)NC(=O)N(CCCOc2ccc(Br)cc2Cl)C1=O ZINC000002862731 564191860 /nfs/dbraw/zinc/19/18/60/564191860.db2.gz NGRRLZGYFLUGGO-UHFFFAOYSA-N 0 0 375.650 3.202 50 0 GGAARN COCCSc1nnc(NC(=O)c2ccccc2SCCOC)s1 ZINC000002865378 564191900 /nfs/dbraw/zinc/19/19/00/564191900.db2.gz MLWJSOFKHSONOR-UHFFFAOYSA-N 0 0 385.536 3.267 50 0 GGAARN Cc1cc(Cl)ccc1N(CC(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O ZINC000002962410 564192134 /nfs/dbraw/zinc/19/21/34/564192134.db2.gz BTYJDHBUOYSSJB-CQSZACIVSA-N 0 0 380.897 3.292 50 0 GGAARN COc1ccc(OS(=O)(=O)c2ccc(I)cc2)cc1 ZINC000002999623 564192234 /nfs/dbraw/zinc/19/22/34/564192234.db2.gz FOSKFQGVQTVHGJ-UHFFFAOYSA-N 0 0 390.198 3.068 50 0 GGAARN O=C(CNC(=O)c1ccccc1F)NCCOc1cccc(Cl)c1Cl ZINC000003000115 564192450 /nfs/dbraw/zinc/19/24/50/564192450.db2.gz CVGKUVLLSGCFBP-UHFFFAOYSA-N 0 0 385.222 3.058 50 0 GGAARN O=C(NC(=S)Nc1ccccc1)c1cccc(I)c1 ZINC000002978551 564192472 /nfs/dbraw/zinc/19/24/72/564192472.db2.gz RCPORILWKOVGHV-UHFFFAOYSA-N 0 0 382.226 3.418 50 0 GGAARN Cc1ccc(N(CC(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000002958587 564192514 /nfs/dbraw/zinc/19/25/14/564192514.db2.gz NPVWTQTXGDKQGU-AWEZNQCLSA-N 0 0 380.897 3.292 50 0 GGAARN O=S(=O)(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000002987611 564192754 /nfs/dbraw/zinc/19/27/54/564192754.db2.gz RZDUGIPQHGPERI-UHFFFAOYSA-N 0 0 397.905 3.115 50 0 GGAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Br)cc1 ZINC000003066890 564193009 /nfs/dbraw/zinc/19/30/09/564193009.db2.gz FTTKFDXIEGEPPP-CQSZACIVSA-N 0 0 395.278 3.272 50 0 GGAARN CN(C)S(=O)(=O)Oc1ccsc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003125272 564193321 /nfs/dbraw/zinc/19/33/21/564193321.db2.gz FTEBNUHKCHOBIO-UHFFFAOYSA-N 0 0 395.289 3.492 50 0 GGAARN Cc1cccc(NC(=S)N[C@@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)c1 ZINC000003130651 564193685 /nfs/dbraw/zinc/19/36/85/564193685.db2.gz UWZOMQSJMQPDDZ-JTQLQIEISA-N 0 0 383.732 3.249 50 0 GGAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1 ZINC000003295164 564195505 /nfs/dbraw/zinc/19/55/05/564195505.db2.gz XSDITXCWBVNDQG-UHFFFAOYSA-N 0 0 376.825 3.042 50 0 GGAARN CN(C)c1cccc(C(=O)OCC(=O)Nc2ccc(Br)cc2)c1 ZINC000003400221 564196255 /nfs/dbraw/zinc/19/62/55/564196255.db2.gz BEHBZENHMHUWMY-UHFFFAOYSA-N 0 0 377.238 3.311 50 0 GGAARN COC(=O)c1c2c(sc1NC(=O)CSc1ncccn1)CCCCC2 ZINC000003563441 564199023 /nfs/dbraw/zinc/19/90/23/564199023.db2.gz DKZZMXUECAEARJ-UHFFFAOYSA-N 0 0 377.491 3.324 50 0 GGAARN Cc1ccc2cc(CCNC(=O)c3ccc(Br)o3)c(=O)[nH]c2c1C ZINC000004032948 564199978 /nfs/dbraw/zinc/19/99/78/564199978.db2.gz NDJNNSBANIHATJ-UHFFFAOYSA-N 0 0 389.249 3.473 50 0 GGAARN CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1Br ZINC000004064420 564199983 /nfs/dbraw/zinc/19/99/83/564199983.db2.gz IAVGFPPUOTVIOV-AWEZNQCLSA-N 0 0 399.310 3.373 50 0 GGAARN Cc1cccc(C(=O)Nc2nnc(SCC(=O)Nc3nccs3)s2)c1 ZINC000004078138 564200028 /nfs/dbraw/zinc/20/00/28/564200028.db2.gz HFXRDHLDVJRPPH-UHFFFAOYSA-N 0 0 391.503 3.286 50 0 GGAARN CCCCC(=O)Nc1nnc(SCC(=O)Nc2ccc(OC)cc2)s1 ZINC000004077867 564200166 /nfs/dbraw/zinc/20/01/66/564200166.db2.gz MYLFKJAVOCJKRP-UHFFFAOYSA-N 0 0 380.495 3.406 50 0 GGAARN O=C(NCC1N=NC(=S)N1c1ccc(F)cc1)c1c(F)cccc1Cl ZINC000004059235 564200170 /nfs/dbraw/zinc/20/01/70/564200170.db2.gz RJMWTWBRITZURX-UHFFFAOYSA-N 0 0 380.807 3.418 50 0 GGAARN O=c1/c(=C/c2ccccc2)sc2nc(-c3ccccc3Br)nn12 ZINC000003637159 564200203 /nfs/dbraw/zinc/20/02/03/564200203.db2.gz IYHZFSXUTVVTOA-UVTDQMKNSA-N 0 0 384.258 3.128 50 0 GGAARN C[C@]12CC[C@@H]3[C@H](C[C@H]4OC[C@@]35CC[C@H](O)C[C@]45Br)[C@@H]1CCC2=O ZINC000004025080 564200287 /nfs/dbraw/zinc/20/02/87/564200287.db2.gz PNLOSOCURUFDEO-ROSNICHLSA-N 0 0 383.326 3.465 50 0 biogenic GGAARN CCOc1ccccc1[C@H]1NC(=S)N=C(C)C1C(=O)OCCSCC ZINC000004064558 564200362 /nfs/dbraw/zinc/20/03/62/564200362.db2.gz QBSCSBAOMVNCKQ-MRXNPFEDSA-N 0 0 380.535 3.174 50 0 GGAARN CC(C)N1CCc2c(sc(NC(=O)/C=C/c3cccs3)c2C(N)=O)C1 ZINC000004087272 564200534 /nfs/dbraw/zinc/20/05/34/564200534.db2.gz RNPDOXUHJVFNAZ-AATRIKPKSA-N 0 0 375.519 3.327 50 0 GGAARN NC(=O)c1cccc(/N=c2\oc3c(Cl)cc(Cl)cc3cc2C(N)=O)c1 ZINC000004177679 564201067 /nfs/dbraw/zinc/20/10/67/564201067.db2.gz YEGPGWLHFHEEGT-XLNRJJMWSA-N 0 0 376.199 3.170 50 0 GGAARN CCC(=O)N1CCN(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)CC1 ZINC000004121839 564201190 /nfs/dbraw/zinc/20/11/90/564201190.db2.gz LVRQCAAFDYSBCG-UHFFFAOYSA-N 0 0 378.687 3.054 50 0 GGAARN COc1ccc(-c2[n-]n(-c3ccc(Br)cc3)c(=O)c2CC[NH3+])cc1 ZINC000004237765 564201222 /nfs/dbraw/zinc/20/12/22/564201222.db2.gz APLSURMZIRMQAB-UHFFFAOYSA-N 0 0 388.265 3.105 50 0 GGAARN O=S(=O)(c1ccccc1)N1NC(C2CCCCC2)=C[C@@]1(O)C(F)(F)F ZINC000004199227 564201283 /nfs/dbraw/zinc/20/12/83/564201283.db2.gz ZORCUXUIBSLCPX-OAHLLOKOSA-N 0 0 376.400 3.268 50 0 GGAARN Cc1ccc(N2C(=O)N(c3ccccc3Cl)[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000004172214 564201333 /nfs/dbraw/zinc/20/13/33/564201333.db2.gz RRARVVJNRBPHGL-SJORKVTESA-N 0 0 376.865 3.261 50 0 GGAARN O=C(Nc1cc(Cl)ccc1Cl)c1c[nH]c(=O)n(-c2ccccc2)c1=O ZINC000004225625 564201392 /nfs/dbraw/zinc/20/13/92/564201392.db2.gz WVTJCRJVZFVDSV-UHFFFAOYSA-N 0 0 376.199 3.085 50 0 GGAARN COc1ccccc1-c1nnc(NC(=O)[C@H](C)SC2=NCCS2)s1 ZINC000004174539 564201548 /nfs/dbraw/zinc/20/15/48/564201548.db2.gz MYSOQQMXWROXAN-VIFPVBQESA-N 0 0 380.520 3.377 50 0 GGAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1 ZINC000004275479 564201892 /nfs/dbraw/zinc/20/18/92/564201892.db2.gz JZNBELMCAKJTDO-AWEZNQCLSA-N 0 0 379.507 3.349 50 0 GGAARN CC(C)CNS(=O)(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1 ZINC000004248059 564201956 /nfs/dbraw/zinc/20/19/56/564201956.db2.gz RIQRDINUGLWLAO-UHFFFAOYSA-N 0 0 379.463 3.076 50 0 GGAARN O=C(CSc1[nH]c(=O)nc2c1CCCC2)Nc1ccc(Br)cc1 ZINC000004317008 564201967 /nfs/dbraw/zinc/20/19/67/564201967.db2.gz WUWWHKSYTXWWIC-UHFFFAOYSA-N 0 0 394.294 3.142 50 0 GGAARN CCCCCN1c2ccc(Br)cc2/C(=C2/SC(=N)NC2=O)C1=O ZINC000004276495 564202167 /nfs/dbraw/zinc/20/21/67/564202167.db2.gz FSXAAYBFYZJGFS-SEYXRHQNSA-N 0 0 394.294 3.495 50 0 GGAARN Cc1cccc(N2C(=O)N(c3cccc(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000004333175 564202346 /nfs/dbraw/zinc/20/23/46/564202346.db2.gz YLIDGSNOVAIWQC-IAGOWNOFSA-N 0 0 376.865 3.261 50 0 GGAARN COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C)S(C)(=O)=O ZINC000004313948 564202499 /nfs/dbraw/zinc/20/24/99/564202499.db2.gz QSYCBYMZYVQTSG-UHFFFAOYSA-N 0 0 382.869 3.062 50 0 GGAARN CC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccc(Cl)o1 ZINC000004270520 564202641 /nfs/dbraw/zinc/20/26/41/564202641.db2.gz UGUJRWOZGLPPST-AWEZNQCLSA-N 0 0 381.841 3.002 50 0 GGAARN Cc1cccc(N2C(=O)N(c3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000004393495 564202743 /nfs/dbraw/zinc/20/27/43/564202743.db2.gz LZBWRWDMJZMWAV-SJORKVTESA-N 0 0 376.865 3.261 50 0 GGAARN O=C1N(c2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 ZINC000004393437 564202843 /nfs/dbraw/zinc/20/28/43/564202843.db2.gz ZMDRCARHIFICPB-CVEARBPZSA-N 0 0 380.828 3.091 50 0 GGAARN 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GGAARN Cc1noc([C@H]2CCCCN2C(=O)NCc2cnn(Cc3ccccc3)c2)n1 ZINC000287513998 570261621 /nfs/dbraw/zinc/26/16/21/570261621.db2.gz JXIZALGACRYECJ-GOSISDBHSA-N 0 0 380.452 3.060 50 0 GGAARN Cc1cc(C(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)cc(S(N)(=O)=O)c1C ZINC000122138393 570261758 /nfs/dbraw/zinc/26/17/58/570261758.db2.gz GFLBOCREXRFHAK-SFHVURJKSA-N 0 0 386.517 3.217 50 0 GGAARN COc1ccc(F)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2C)CC1 ZINC000001420919 570262501 /nfs/dbraw/zinc/26/25/01/570262501.db2.gz ORFOQVPCTBOOJL-UHFFFAOYSA-N 0 0 398.887 3.307 50 0 GGAARN COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(F)cc1 ZINC000001426434 570262724 /nfs/dbraw/zinc/26/27/24/570262724.db2.gz FLJIXRWWMBRWNW-GOSISDBHSA-N 0 0 379.395 3.353 50 0 GGAARN COc1cccc([C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)c1OC ZINC000001427884 570262728 /nfs/dbraw/zinc/26/27/28/570262728.db2.gz YSZWPKXYEQYNGY-OAHLLOKOSA-N 0 0 383.375 3.174 50 0 GGAARN O=S(=O)(N[C@@H]1CCCC[C@@H]1n1cc(-c2ccccc2)nn1)c1ccccc1 ZINC000001430735 570263102 /nfs/dbraw/zinc/26/31/02/570263102.db2.gz NLJJVZHGNYMKSU-QUCCMNQESA-N 0 0 382.489 3.407 50 0 GGAARN Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)CCc1cnccn1 ZINC000011661771 570263556 /nfs/dbraw/zinc/26/35/56/570263556.db2.gz CASQLADOTVLVFN-INIZCTEOSA-N 0 0 382.512 3.156 50 0 GGAARN Cc1ccc2c(c1)cc([C@H]1CC(=O)Oc3cc(C)[nH]c(=O)c31)c(=O)n2CC(C)C ZINC000085878467 570263727 /nfs/dbraw/zinc/26/37/27/570263727.db2.gz YYJPPOIXDRASHG-MRXNPFEDSA-N 0 0 392.455 3.404 50 0 biogenic GGAARN Cc1ccc(C)c(NC(=O)Cn2cnc3c(-c4ccncc4)nsc3c2=O)c1 ZINC000049401663 570264238 /nfs/dbraw/zinc/26/42/38/570264238.db2.gz NKMAZJQUEQSGCA-UHFFFAOYSA-N 0 0 391.456 3.171 50 0 GGAARN C=Cc1ccc(CN2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1 ZINC000049402482 570264287 /nfs/dbraw/zinc/26/42/87/570264287.db2.gz GDKVGWRFZGYYOT-UHFFFAOYSA-N 0 0 395.484 3.059 50 0 GGAARN COc1ccc(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)c(OC)c1 ZINC000049404098 570264555 /nfs/dbraw/zinc/26/45/55/570264555.db2.gz HPXYFOXMLOEWTH-UHFFFAOYSA-N 0 0 399.476 3.027 50 0 GGAARN CSc1ccc(CNC(=O)c2ccc3c(c2)nc2n(c3=O)CCS2)cc1 ZINC000049403662 570264678 /nfs/dbraw/zinc/26/46/78/570264678.db2.gz KBMWYDFRLXUWSX-UHFFFAOYSA-N 0 0 383.498 3.154 50 0 GGAARN COc1cc(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)cc(OC)c1 ZINC000049404104 570264916 /nfs/dbraw/zinc/26/49/16/570264916.db2.gz COIJSOFHWFANOF-UHFFFAOYSA-N 0 0 399.476 3.027 50 0 GGAARN Cc1ccc(C)c(-n2ccn(Cc3nc(-c4ccccc4C)no3)c(=O)c2=O)c1 ZINC000049407731 570265118 /nfs/dbraw/zinc/26/51/18/570265118.db2.gz ZTMRWDRDGJKAHO-UHFFFAOYSA-N 0 0 388.427 3.023 50 0 GGAARN Cc1cccc(-c2noc(Cn3ccn(-c4cc(C)cc(C)c4)c(=O)c3=O)n2)c1 ZINC000049407707 570265187 /nfs/dbraw/zinc/26/51/87/570265187.db2.gz VWTJCVUDDCZKAV-UHFFFAOYSA-N 0 0 388.427 3.023 50 0 GGAARN COc1ccc(Cn2nc(-c3nc(-c4ccc(C)cc4)no3)ccc2=O)cc1F ZINC000049407549 570265242 /nfs/dbraw/zinc/26/52/42/570265242.db2.gz PLJMAMXBIHIKOI-UHFFFAOYSA-N 0 0 392.390 3.465 50 0 GGAARN Cn1cccc1CN(Cc1cccs1)C(=O)Cn1c(=O)oc2ccccc21 ZINC000049409956 570265802 /nfs/dbraw/zinc/26/58/02/570265802.db2.gz RMCQWTHQUZKYRU-UHFFFAOYSA-N 0 0 381.457 3.224 50 0 GGAARN COc1ccc(-c2nc(-c3cn(Cc4cccc(F)c4)nn3)no2)cc1OC ZINC000049410177 570266194 /nfs/dbraw/zinc/26/61/94/570266194.db2.gz DDCVEHZDVDWJTI-UHFFFAOYSA-N 0 0 381.367 3.200 50 0 GGAARN COc1cc(OC)cc(-c2nc(-c3nnn(-c4ccc(F)cc4)c3C)no2)c1 ZINC000049410199 570266206 /nfs/dbraw/zinc/26/62/06/570266206.db2.gz OVKGTTMMWSHPCQ-UHFFFAOYSA-N 0 0 381.367 3.449 50 0 GGAARN CN1c2ccc(Cl)cc2C(=O)NC12CCN(C(=O)c1cccc(F)c1)CC2 ZINC000049410059 570266215 /nfs/dbraw/zinc/26/62/15/570266215.db2.gz CJVSLUADJOUOSG-UHFFFAOYSA-N 0 0 387.842 3.291 50 0 GGAARN CN1c2cc(F)ccc2C(=O)NC12CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000049410046 570266224 /nfs/dbraw/zinc/26/62/24/570266224.db2.gz NCYIMTIPIAGNSO-UHFFFAOYSA-N 0 0 387.842 3.291 50 0 GGAARN COc1ccc(Cn2nc3nc(Nc4ccccc4C)cc(C)n3c2=O)cc1 ZINC000049410829 570266548 /nfs/dbraw/zinc/26/65/48/570266548.db2.gz MCOJHMCHRPARMD-UHFFFAOYSA-N 0 0 375.432 3.308 50 0 GGAARN Cc1ccc(NC(=O)Cn2cnc(-c3noc(-c4ccncc4)n3)c2)cc1F ZINC000049411882 570266725 /nfs/dbraw/zinc/26/67/25/570266725.db2.gz OHSZNSJGEFRBOU-UHFFFAOYSA-N 0 0 378.367 3.081 50 0 GGAARN CC(C)(C)c1ccc(S(=O)(=O)N2CC(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000049483303 570267733 /nfs/dbraw/zinc/26/77/33/570267733.db2.gz CHDMRIVIAWTHIG-UHFFFAOYSA-N 0 0 398.488 3.217 50 0 GGAARN O=C(/C=C/c1ccco1)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000049487130 570268235 /nfs/dbraw/zinc/26/82/35/570268235.db2.gz GXGJBMXLTCQBMF-HVHJFMEUSA-N 0 0 394.518 3.104 50 0 GGAARN O=C(NCc1cccnc1)c1cnn(-c2cc(F)cc(F)c2)c1-n1cccc1 ZINC000049544218 570268709 /nfs/dbraw/zinc/26/87/09/570268709.db2.gz PHSKTNSKYNHORU-UHFFFAOYSA-N 0 0 379.370 3.266 50 0 GGAARN CC(C)c1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)cn2C)s1 ZINC000049544896 570268740 /nfs/dbraw/zinc/26/87/40/570268740.db2.gz HAIRRMRXIYFSLQ-UHFFFAOYSA-N 0 0 384.461 3.192 50 0 GGAARN CCCCc1nc(-n2cccc2)sc1C(=O)N1CCN(C(=O)OCC)CC1 ZINC000049548862 570269422 /nfs/dbraw/zinc/26/94/22/570269422.db2.gz AFNLLEHUASPLME-UHFFFAOYSA-N 0 0 390.509 3.191 50 0 GGAARN Cc1nnc(NC(=O)c2cnn(-c3cc(F)cc(F)c3)c2-n2cccc2)s1 ZINC000049550617 570269709 /nfs/dbraw/zinc/26/97/09/570269709.db2.gz LHZWBMMINDGIJB-UHFFFAOYSA-N 0 0 386.387 3.353 50 0 GGAARN O=C(Nc1nnc(COc2ccccc2)s1)c1cc(=O)[nH]c2ccccc21 ZINC000049550846 570269755 /nfs/dbraw/zinc/26/97/55/570269755.db2.gz QIMJFKACLHHYSO-UHFFFAOYSA-N 0 0 378.413 3.211 50 0 GGAARN CC(C)C[C@@H]1Nc2ccccc2C(=O)N1CC(=O)Nc1nnc(C2CC2)s1 ZINC000049551075 570269829 /nfs/dbraw/zinc/26/98/29/570269829.db2.gz JEZMQNOUUIXSHT-OAHLLOKOSA-N 0 0 385.493 3.294 50 0 GGAARN Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)Nc1nc2c(s1)CCC2 ZINC000049551415 570270049 /nfs/dbraw/zinc/27/00/49/570270049.db2.gz CLFBYKFPZYGSEG-UHFFFAOYSA-N 0 0 381.457 3.162 50 0 GGAARN CC(=O)N[C@@H]1CCCN(C(=O)c2cccc(-c3ccc4c(cc[nH]c4=O)c3)c2)C1 ZINC000584903189 570270351 /nfs/dbraw/zinc/27/03/51/570270351.db2.gz LXRDHKXHNYENPO-HXUWFJFHSA-N 0 0 389.455 3.348 50 0 GGAARN O=C(NCCSc1ccccn1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000584903208 570270354 /nfs/dbraw/zinc/27/03/54/570270354.db2.gz LYSMBZNRGCHIHO-UHFFFAOYSA-N 0 0 388.512 3.230 50 0 GGAARN COCCNC(=O)Cc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000049510607 570270392 /nfs/dbraw/zinc/27/03/92/570270392.db2.gz KZSMXCDTPPPHNH-UHFFFAOYSA-N 0 0 395.484 3.368 50 0 GGAARN CCCn1nc(C)c(CNC(=O)N(C)Cc2cc(-c3ccccn3)no2)c1C ZINC000584901569 570271014 /nfs/dbraw/zinc/27/10/14/570271014.db2.gz QCZIMPPLDMOQSN-UHFFFAOYSA-N 0 0 382.468 3.302 50 0 GGAARN Cc1ccc(S(=O)(=O)NCCc2cc3c(C)cc(C)cc3[nH]c2=O)c(C)c1 ZINC000049651879 570271926 /nfs/dbraw/zinc/27/19/26/570271926.db2.gz TVKBQAMSKJKCOR-UHFFFAOYSA-N 0 0 384.501 3.283 50 0 GGAARN CCN(Cc1ccc(SC)cc1)C(=O)NCc1ccc(C(=O)N(C)C)o1 ZINC000584903706 570272081 /nfs/dbraw/zinc/27/20/81/570272081.db2.gz UTFJLRVECZZVHO-UHFFFAOYSA-N 0 0 375.494 3.435 50 0 GGAARN CC(C)n1ncnc1-c1ccc(C(=O)N2CC[C@@](O)(c3ccccc3)C2)cc1 ZINC000584902800 570272128 /nfs/dbraw/zinc/27/21/28/570272128.db2.gz DLHQCDIAESTEID-QFIPXVFZSA-N 0 0 376.460 3.260 50 0 GGAARN CN(C)c1ccc(C(=O)N2N=C(c3ccccc3)C[C@]2(O)C(F)(F)F)cc1 ZINC000049992053 570272805 /nfs/dbraw/zinc/27/28/05/570272805.db2.gz KIKJZXWVBTUCNF-SFHVURJKSA-N 0 0 377.366 3.254 50 0 GGAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000012232666 570274385 /nfs/dbraw/zinc/27/43/85/570274385.db2.gz CCSXIBJHWXAORR-INIZCTEOSA-N 0 0 380.425 3.293 50 0 GGAARN CC(C)CCOc1cccc(CCNC(=O)N2CCC3(COC(=O)O3)CC2)c1 ZINC000584903661 570274560 /nfs/dbraw/zinc/27/45/60/570274560.db2.gz CZGZFXRMXYOYFQ-UHFFFAOYSA-N 0 0 390.480 3.365 50 0 GGAARN COc1ccc(N2C[C@@H](C(=O)NCc3cc(-c4ccccc4)on3)CC2=O)cc1 ZINC000012235498 570276211 /nfs/dbraw/zinc/27/62/11/570276211.db2.gz RBRXXUPIYDXEET-INIZCTEOSA-N 0 0 391.427 3.020 50 0 GGAARN COc1ccc(N2C[C@H](C(=O)NCc3cc(-c4ccccc4)on3)CC2=O)cc1 ZINC000012235502 570276325 /nfs/dbraw/zinc/27/63/25/570276325.db2.gz RBRXXUPIYDXEET-MRXNPFEDSA-N 0 0 391.427 3.020 50 0 GGAARN Cc1ccc(C(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 ZINC000002152463 570276527 /nfs/dbraw/zinc/27/65/27/570276527.db2.gz KSMOBFVIDAOGSP-LJQANCHMSA-N 0 0 393.439 3.432 50 0 GGAARN Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)c1 ZINC000000630793 570278584 /nfs/dbraw/zinc/27/85/84/570278584.db2.gz RMDPQEQNENODMS-UHFFFAOYSA-N 0 0 398.484 3.305 50 0 GGAARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1 ZINC000012274767 570280320 /nfs/dbraw/zinc/28/03/20/570280320.db2.gz QJRZXAISVSUVNE-AWEZNQCLSA-N 0 0 384.432 3.094 50 0 GGAARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1 ZINC000012274768 570280352 /nfs/dbraw/zinc/28/03/52/570280352.db2.gz QJRZXAISVSUVNE-CQSZACIVSA-N 0 0 384.432 3.094 50 0 GGAARN CCOc1ccc(NC(=O)CS[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000101159854 570281527 /nfs/dbraw/zinc/28/15/27/570281527.db2.gz SYTCNVYISJBDNA-KRWDZBQOSA-N 0 0 384.457 3.089 50 0 GGAARN CCc1nn(CC(=O)NC2CCCCCC2)c(=O)c2cc3cc(F)ccc3n21 ZINC000006749944 570282213 /nfs/dbraw/zinc/28/22/13/570282213.db2.gz LSRYNTGCZRRFBL-UHFFFAOYSA-N 0 0 384.455 3.190 50 0 GGAARN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CC=C(c3ccccc3)CC2)n(C)n1 ZINC000215009273 570283633 /nfs/dbraw/zinc/28/36/33/570283633.db2.gz VWBBDYCMZNTGBB-UHFFFAOYSA-N 0 0 375.476 3.367 50 0 GGAARN Cc1cc(C)cc(C(=O)NCCn2ncc3c2ncnc3N2CCCCCC2)c1 ZINC000011665963 570284233 /nfs/dbraw/zinc/28/42/33/570284233.db2.gz OGJFPFBBZGTIIM-UHFFFAOYSA-N 0 0 392.507 3.254 50 0 GGAARN COc1ccc(NC(=O)CN2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)cc1 ZINC000101757306 570285116 /nfs/dbraw/zinc/28/51/16/570285116.db2.gz ADJOUYZILRHLCE-NSISKUIASA-N 0 0 392.455 3.203 50 0 GGAARN C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1cccc(C(=O)N2CCC2)c1 ZINC000215076439 570285258 /nfs/dbraw/zinc/28/52/58/570285258.db2.gz QVUAKZJWBGXKAE-CQSZACIVSA-N 0 0 376.453 3.053 50 0 GGAARN Cc1nn(C)c2nc(C)cc(C(=O)N3CCC([C@@H](O)c4cccs4)CC3)c12 ZINC000215244453 570286391 /nfs/dbraw/zinc/28/63/91/570286391.db2.gz QMLNZWWHHYJEMW-GOSISDBHSA-N 0 0 384.505 3.232 50 0 GGAARN COc1ccccc1NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000012900089 570287607 /nfs/dbraw/zinc/28/76/07/570287607.db2.gz HVYPKUHYPJLNIV-UHFFFAOYSA-N 0 0 393.443 3.149 50 0 biogenic GGAARN Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000012902480 570288018 /nfs/dbraw/zinc/28/80/18/570288018.db2.gz XNJXRTIBMNKAFP-UHFFFAOYSA-N 0 0 381.384 3.150 50 0 biogenic GGAARN O=C(C[C@@H](c1ccccc1)c1ccc(F)cc1)N1Cc2cnn(CCO)c2C1 ZINC000215386343 570288030 /nfs/dbraw/zinc/28/80/30/570288030.db2.gz SWHWSLABZRJVAF-FQEVSTJZSA-N 0 0 379.435 3.079 50 0 GGAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCO)OC1(CCCCC1)CC3 ZINC000012901550 570288511 /nfs/dbraw/zinc/28/85/11/570288511.db2.gz FDBJQUUJOSGVCJ-UHFFFAOYSA-N 0 0 399.487 3.170 50 0 biogenic GGAARN CCOc1nn(CC)cc1C(=O)Nc1nnc(SCc2cccnc2)s1 ZINC000021011520 570289079 /nfs/dbraw/zinc/28/90/79/570289079.db2.gz UYNZIUOJUYHKGW-UHFFFAOYSA-N 0 0 390.494 3.093 50 0 GGAARN COc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc3c(c2)ncn3C)cc1 ZINC000215557636 570289764 /nfs/dbraw/zinc/28/97/64/570289764.db2.gz XLPWBXVGMDIWEE-IBGZPJMESA-N 0 0 379.460 3.403 50 0 GGAARN c1cc(SC2CCCCC2)oc1CN1CCN(CCn2cncn2)CC1 ZINC000215701115 570290782 /nfs/dbraw/zinc/29/07/82/570290782.db2.gz NQKRKJWXOXWQPL-UHFFFAOYSA-N 0 0 375.542 3.114 50 0 GGAARN COc1cc(OC)c(NC(=O)COC(=O)Cc2ccc(F)cc2)cc1Cl ZINC000010789615 570297322 /nfs/dbraw/zinc/29/73/22/570297322.db2.gz XZPMJSNSIRLJQD-UHFFFAOYSA-N 0 0 381.787 3.221 50 0 GGAARN COc1cccc(C2(NC(=O)NCc3cnc(C(F)(F)F)nc3)CCC2)c1 ZINC000665505161 570299214 /nfs/dbraw/zinc/29/92/14/570299214.db2.gz LCBVACWPNHTHGI-UHFFFAOYSA-N 0 0 380.370 3.383 50 0 GGAARN CC(C)N1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000012303450 570300451 /nfs/dbraw/zinc/30/04/51/570300451.db2.gz AYDZAFHIQBQBOF-NRFANRHFSA-N 0 0 395.503 3.036 50 0 GGAARN Clc1cccc(-n2nnnc2[C@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000022022903 570302238 /nfs/dbraw/zinc/30/22/38/570302238.db2.gz UNCCZQCWRLTLND-KRWDZBQOSA-N 0 0 390.274 3.391 50 0 GGAARN Cc1cc(C)n(CC2(CNC(=O)c3cnc(C)nc3-c3ccccc3)CC2)n1 ZINC000216471137 570302588 /nfs/dbraw/zinc/30/25/88/570302588.db2.gz FGVVTIQATCBRFK-UHFFFAOYSA-N 0 0 375.476 3.476 50 0 GGAARN O=C(c1ccco1)N1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000006970154 570302882 /nfs/dbraw/zinc/30/28/82/570302882.db2.gz WKUDROOUJZVXMC-UHFFFAOYSA-N 0 0 383.395 3.453 50 0 GGAARN CCn1c2ccc(C)cc2sc1=NC(=O)CS(=O)(=O)Cc1ccccc1 ZINC000012310934 570303738 /nfs/dbraw/zinc/30/37/38/570303738.db2.gz BVGHGGYFXZBKSC-FMQUCBEESA-N 0 0 388.514 3.073 50 0 GGAARN O=C(NCc1cn(-c2cccnc2)nn1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000575414500 570303760 /nfs/dbraw/zinc/30/37/60/570303760.db2.gz TVUYCMMYLROWOD-UHFFFAOYSA-N 0 0 396.410 3.401 50 0 GGAARN O=C(CCC(=O)N1CC[C@H](c2cccs2)S(=O)(=O)CC1)c1ccccc1 ZINC000575414886 570305451 /nfs/dbraw/zinc/30/54/51/570305451.db2.gz NUMCITKQKPGROH-GOSISDBHSA-N 0 0 391.514 3.099 50 0 GGAARN Cc1cc(C)c(C)c(S(=O)(=O)NCc2cncc(-c3cnn(C)c3)c2)c1C ZINC000575414853 570305493 /nfs/dbraw/zinc/30/54/93/570305493.db2.gz YCQVSGFQOJIEFA-UHFFFAOYSA-N 0 0 384.505 3.194 50 0 GGAARN COc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc(OC)c1OC(C)=O ZINC000000726912 570305627 /nfs/dbraw/zinc/30/56/27/570305627.db2.gz HSTCVHOBWLCHRG-NVNXTCNLSA-N 0 0 385.347 3.113 50 0 GGAARN O=C(c1ccc2[nH]ccc2c1)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000575414888 570305796 /nfs/dbraw/zinc/30/57/96/570305796.db2.gz OHXPTIQBHKORFB-IBGZPJMESA-N 0 0 386.448 3.309 50 0 GGAARN COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)OCCc2ccccc2)c1 ZINC000000725575 570306646 /nfs/dbraw/zinc/30/66/46/570306646.db2.gz HUCRHELOSHPKNT-FQEVSTJZSA-N 0 0 396.443 3.118 50 0 GGAARN Cc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)NC1CCCCC1 ZINC000004835012 570310296 /nfs/dbraw/zinc/31/02/96/570310296.db2.gz HLNSGJGDGAPCOW-UHFFFAOYSA-N 0 0 396.553 3.151 50 0 GGAARN COc1ccc(C(=O)NCc2nnc(SCc3ccc(C)cc3)n2C)cc1 ZINC000002859329 570310976 /nfs/dbraw/zinc/31/09/76/570310976.db2.gz XNHPUIATKAGHGG-UHFFFAOYSA-N 0 0 382.489 3.354 50 0 GGAARN COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1OC ZINC000002859208 570311026 /nfs/dbraw/zinc/31/10/26/570311026.db2.gz VSUCCWVDWBMJDI-QGZVFWFLSA-N 0 0 394.427 3.277 50 0 GGAARN COc1cccc(NC(=O)Cc2nnc(SCc3ccc(F)cc3)n2C)c1 ZINC000002861657 570311686 /nfs/dbraw/zinc/31/16/86/570311686.db2.gz KQHUMSDJRVZZME-UHFFFAOYSA-N 0 0 386.452 3.436 50 0 GGAARN O=C(NCCc1ccc(O)cc1)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000012321225 570312826 /nfs/dbraw/zinc/31/28/26/570312826.db2.gz PKSMJHRJGHWDDE-UHFFFAOYSA-N 0 0 377.322 3.434 50 0 GGAARN CS(=O)(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc2nccnc2c1 ZINC000012322116 570313201 /nfs/dbraw/zinc/31/32/01/570313201.db2.gz MNWHCOQPNZENNB-SFHVURJKSA-N 0 0 386.864 3.394 50 0 GGAARN CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C)cc1 ZINC000016034032 570313205 /nfs/dbraw/zinc/31/32/05/570313205.db2.gz CIURKCQXEYADEO-ORYQWCPZSA-N 0 0 379.504 3.179 50 0 GGAARN Cc1nnc(S(=O)(=O)Cc2csc(C(C)(C)C)n2)n1Cc1ccccc1 ZINC000121486447 570313869 /nfs/dbraw/zinc/31/38/69/570313869.db2.gz LGWMQTNEBZQGRB-UHFFFAOYSA-N 0 0 390.534 3.363 50 0 GGAARN O=C(N[C@@H]1CCCc2c3ccccc3[nH]c21)C1CCC(Cn2cnnn2)CC1 ZINC000575443312 570314174 /nfs/dbraw/zinc/31/41/74/570314174.db2.gz XUZMDFGHXUOUBS-JFIBYHEFSA-N 0 0 378.480 3.155 50 0 GGAARN COC(=O)c1ccc(NC(=O)N[C@H](CC(C)C)c2nnc3ccccn32)cc1 ZINC000575443413 570314234 /nfs/dbraw/zinc/31/42/34/570314234.db2.gz DEXSCSOQPFHJLJ-MRXNPFEDSA-N 0 0 381.436 3.425 50 0 GGAARN CC(C)CN1C[C@@H](C(=O)N[C@@H](c2nc3ccccc3[nH]2)c2ccccc2)CC1=O ZINC000575443379 570314325 /nfs/dbraw/zinc/31/43/25/570314325.db2.gz RRQIBUNTCNCRTL-LAUBAEHRSA-N 0 0 390.487 3.273 50 0 GGAARN COc1cc(-c2nc(C)c(C(=O)NCc3ccncc3)s2)cc(OC)c1OC ZINC000012323483 570314381 /nfs/dbraw/zinc/31/43/81/570314381.db2.gz BGQKMSPGCIJMHA-UHFFFAOYSA-N 0 0 399.472 3.469 50 0 GGAARN COCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000012323916 570314519 /nfs/dbraw/zinc/31/45/19/570314519.db2.gz LMTDYGYUAKWCGI-FQEVSTJZSA-N 0 0 391.427 3.055 50 0 GGAARN COc1cc(-c2nc(C)c(C(=O)NCc3ccccn3)s2)cc(OC)c1OC ZINC000012324809 570315430 /nfs/dbraw/zinc/31/54/30/570315430.db2.gz MIWLRTZOQGTVJY-UHFFFAOYSA-N 0 0 399.472 3.469 50 0 GGAARN CCOC(=O)c1nn([C@@H]2CCCCO2)c2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000072233832 570319447 /nfs/dbraw/zinc/31/94/47/570319447.db2.gz ARWXEVUKCFDDBQ-HNNXBMFYSA-N 0 0 379.457 3.052 50 0 GGAARN CC[C@H](C)NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000002958347 570320218 /nfs/dbraw/zinc/32/02/18/570320218.db2.gz FIBJEFORPWPMNG-HNNXBMFYSA-N 0 0 376.478 3.160 50 0 GGAARN CCOc1ccc(N(CC(=O)NCC(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000002960819 570320404 /nfs/dbraw/zinc/32/04/04/570320404.db2.gz JODQXVYJKWDXGQ-UHFFFAOYSA-N 0 0 390.505 3.053 50 0 GGAARN COc1ccc(-n2ccc3nc(N4CCc5ccccc5C4)ncc3c2=O)cc1 ZINC000022608863 570322915 /nfs/dbraw/zinc/32/29/15/570322915.db2.gz NISQTJRPFGCVGZ-UHFFFAOYSA-N 0 0 384.439 3.352 50 0 GGAARN O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000053477988 570323427 /nfs/dbraw/zinc/32/34/27/570323427.db2.gz CIRBOYZFVAAHIL-LJQANCHMSA-N 0 0 387.443 3.027 50 0 GGAARN O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000053477990 570323523 /nfs/dbraw/zinc/32/35/23/570323523.db2.gz CIRBOYZFVAAHIL-IBGZPJMESA-N 0 0 387.443 3.027 50 0 GGAARN COc1ccc(C(=O)N2CCC[C@H](Cc3nc(-c4ccccc4F)no3)C2)cn1 ZINC000220703398 570325320 /nfs/dbraw/zinc/32/53/20/570325320.db2.gz PKVLUBSMRWAOLL-CQSZACIVSA-N 0 0 396.422 3.374 50 0 GGAARN CN(Cc1cccc2ccccc21)C(=O)C[C@@H]1C(=O)NCCN1CC(C)(C)C ZINC000012432052 570325633 /nfs/dbraw/zinc/32/56/33/570325633.db2.gz DFXBQOXWZQTYFD-HXUWFJFHSA-N 0 0 381.520 3.035 50 0 GGAARN CC(C)NC(=O)CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003003978 570325837 /nfs/dbraw/zinc/32/58/37/570325837.db2.gz HKUHAVUUAWUMHX-UHFFFAOYSA-N 0 0 398.887 3.195 50 0 GGAARN CCc1ccc(CN2CCN(CC(=O)Nc3ccc4nsnc4c3)CC2)cc1 ZINC000022752109 570326252 /nfs/dbraw/zinc/32/62/52/570326252.db2.gz FTRFLAWXBJLBCY-UHFFFAOYSA-N 0 0 395.532 3.010 50 0 GGAARN O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)NCCC1=CCCCC1 ZINC000022751888 570326311 /nfs/dbraw/zinc/32/63/11/570326311.db2.gz QYXXYHKJIXOKHT-UHFFFAOYSA-N 0 0 375.944 3.464 50 0 GGAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1 ZINC000003055694 570327138 /nfs/dbraw/zinc/32/71/38/570327138.db2.gz VWRMNIYAIULRDR-UHFFFAOYSA-N 0 0 387.798 3.350 50 0 GGAARN O=C(NC[C@@H]1CCCO1)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000003056045 570327154 /nfs/dbraw/zinc/32/71/54/570327154.db2.gz SHINVGZLRPPNSO-AYNDUVCUSA-N 0 0 376.456 3.309 50 0 GGAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)Cc3cccnc3)C2)n1 ZINC000220816198 570327273 /nfs/dbraw/zinc/32/72/73/570327273.db2.gz KCBRQUIMALKMLV-SFHVURJKSA-N 0 0 376.460 3.464 50 0 GGAARN CCOc1ccccc1C(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000220848081 570328092 /nfs/dbraw/zinc/32/80/92/570328092.db2.gz RXWIGWGBMWCDNX-OAHLLOKOSA-N 0 0 393.447 3.020 50 0 GGAARN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000220862710 570328535 /nfs/dbraw/zinc/32/85/35/570328535.db2.gz FNNCAZYKWSWLKO-CQSZACIVSA-N 0 0 388.431 3.103 50 0 GGAARN Cc1nccc(O[C@@H]2CCCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000575607536 570330353 /nfs/dbraw/zinc/33/03/53/570330353.db2.gz CSIOTEZAPVBLMF-MRXNPFEDSA-N 0 0 379.382 3.416 50 0 GGAARN CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3cccs3)o2)cc1 ZINC000575609339 570332668 /nfs/dbraw/zinc/33/26/68/570332668.db2.gz SUMOTLITWMDBHT-UHFFFAOYSA-N 0 0 390.486 3.188 50 0 GGAARN CCN(CC)S(=O)(=O)c1ccc2c(c1)[nH]c(=S)n2-c1ccccc1OC ZINC000003223815 570332821 /nfs/dbraw/zinc/33/28/21/570332821.db2.gz IZLROWJSGFPQLX-UHFFFAOYSA-N 0 0 391.518 3.353 50 0 GGAARN Cc1cc(OC2CCN(C(=O)/C=C/c3ccccc3Cl)CC2)cc(=O)n1C ZINC000575610626 570333851 /nfs/dbraw/zinc/33/38/51/570333851.db2.gz LUMVCFIEWXUPNA-BQYQJAHWSA-N 0 0 386.879 3.430 50 0 GGAARN Cc1cc(OC2CCN(C(=O)Cc3cccc4ccccc43)CC2)cc(=O)n1C ZINC000575610630 570333948 /nfs/dbraw/zinc/33/39/48/570333948.db2.gz LZYWXADKDXWWIU-UHFFFAOYSA-N 0 0 390.483 3.459 50 0 GGAARN Cc1cc2c(cc1NC(=O)CCc1cccc(Cl)c1)N(C)S(=O)(=O)N2C ZINC000575610874 570334641 /nfs/dbraw/zinc/33/46/41/570334641.db2.gz BXGCYRLUQNSLSP-UHFFFAOYSA-N 0 0 393.896 3.351 50 0 GGAARN CCn1c2ccccc2nc1CN1CCN(Cc2ccsc2)[C@@H](CCO)C1 ZINC000022913925 570334700 /nfs/dbraw/zinc/33/47/00/570334700.db2.gz BQTDJKIBBVSBGJ-SFHVURJKSA-N 0 0 384.549 3.187 50 0 GGAARN Cc1cc(C)n([C@H](CNC(=O)C(=O)Nc2cccc(F)c2)c2cccs2)n1 ZINC000575611044 570334987 /nfs/dbraw/zinc/33/49/87/570334987.db2.gz TWIXUGOQEWPKAS-MRXNPFEDSA-N 0 0 386.452 3.045 50 0 GGAARN Cc1cc2c(cc1NC(=O)Nc1c(F)cccc1F)N(C)S(=O)(=O)N2C ZINC000575610992 570335091 /nfs/dbraw/zinc/33/50/91/570335091.db2.gz CYJXSUNXDIVFPE-UHFFFAOYSA-N 0 0 382.392 3.048 50 0 GGAARN COC(=O)c1ccc(C(=O)NC[C@H](c2cccs2)n2nc(C)cc2C)cc1 ZINC000575611875 570336185 /nfs/dbraw/zinc/33/61/85/570336185.db2.gz ZEZOAUXAQDQKSD-QGZVFWFLSA-N 0 0 383.473 3.367 50 0 GGAARN COc1ccc(CNC(=O)NC[C@@H](c2ccsc2)n2cccn2)cc1OC ZINC000575612826 570337721 /nfs/dbraw/zinc/33/77/21/570337721.db2.gz CNDABLCULZYGBV-INIZCTEOSA-N 0 0 386.477 3.051 50 0 GGAARN COc1ccc(CCC(=O)NC[C@](O)(c2ccccc2)C2CCOCC2)cc1 ZINC000575613097 570337962 /nfs/dbraw/zinc/33/79/62/570337962.db2.gz PJPWPOWICJKIIY-QHCPKHFHSA-N 0 0 383.488 3.058 50 0 GGAARN O=C(c1cccc(OC(F)(F)F)c1)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575613172 570338410 /nfs/dbraw/zinc/33/84/10/570338410.db2.gz PIOFHARAFXEION-AWEZNQCLSA-N 0 0 385.317 3.198 50 0 GGAARN O=C(Cc1c(F)cccc1Cl)NC[C@](O)(c1ccccc1)C1CCOCC1 ZINC000575613247 570338423 /nfs/dbraw/zinc/33/84/23/570338423.db2.gz QMWLDRCACCQFIV-NRFANRHFSA-N 0 0 391.870 3.452 50 0 GGAARN COc1cccc2cc(C(=O)NC[C@H](c3cccs3)n3cccn3)c(=O)oc21 ZINC000575613640 570339204 /nfs/dbraw/zinc/33/92/04/570339204.db2.gz IXNYCNFKBUSINW-OAHLLOKOSA-N 0 0 395.440 3.079 50 0 GGAARN Cc1cc2c(cc1NC(=O)Cc1c(F)cccc1Cl)N(C)S(=O)(=O)N2C ZINC000575613562 570339225 /nfs/dbraw/zinc/33/92/25/570339225.db2.gz TVJLFFREHWAFHR-UHFFFAOYSA-N 0 0 397.859 3.100 50 0 GGAARN O=C(CSCc1ccccc1)NC[C@@](O)(c1ccccc1)C1CCOCC1 ZINC000575613581 570339253 /nfs/dbraw/zinc/33/92/53/570339253.db2.gz UDPDAHZCGSYNKQ-JOCHJYFZSA-N 0 0 385.529 3.350 50 0 GGAARN COc1ccccc1OCC(=O)N1CCC[C@@H](Oc2ccncc2Cl)C1 ZINC000575614119 570339939 /nfs/dbraw/zinc/33/99/39/570339939.db2.gz WWGIBNRBNOSLQQ-CQSZACIVSA-N 0 0 376.840 3.192 50 0 GGAARN Cc1nc(-c2ccc(S(=O)(=O)NC[C@H](c3ccco3)n3cccn3)cc2)co1 ZINC000575613937 570340014 /nfs/dbraw/zinc/34/00/14/570340014.db2.gz MLJYBDXVKBZCBF-GOSISDBHSA-N 0 0 398.444 3.007 50 0 GGAARN Cc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000006204475 570340223 /nfs/dbraw/zinc/34/02/23/570340223.db2.gz UUPVESHLSGJUKR-MRXNPFEDSA-N 0 0 382.485 3.131 50 0 GGAARN CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccco1)n1nc(C)cc1C ZINC000575614418 570340520 /nfs/dbraw/zinc/34/05/20/570340520.db2.gz SFUTXEFUMUNXEY-MRXNPFEDSA-N 0 0 398.488 3.159 50 0 GGAARN O=C(NC[C@@H](c1ccsc1)n1cccn1)C1(c2ccccc2)CCOCC1 ZINC000575614348 570340541 /nfs/dbraw/zinc/34/05/41/570340541.db2.gz QPXHLCQREONQBP-IBGZPJMESA-N 0 0 381.501 3.399 50 0 GGAARN CCSc1nnnn1-c1ccc(NC(=O)c2ccc3nnsc3c2)cc1 ZINC000011692752 570340689 /nfs/dbraw/zinc/34/06/89/570340689.db2.gz BJJVYVSVPWCUOS-UHFFFAOYSA-N 0 0 383.462 3.031 50 0 GGAARN COc1ccccc1NC(=O)[C@H](C)Sc1nnnn1-c1ccccc1Cl ZINC000011692792 570340853 /nfs/dbraw/zinc/34/08/53/570340853.db2.gz 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ZINC000011695165 570343341 /nfs/dbraw/zinc/34/33/41/570343341.db2.gz HHKDBVIQLSUCRZ-UHFFFAOYSA-N 0 0 390.509 3.199 50 0 GGAARN CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1cccc(C)c1 ZINC000035349317 570343470 /nfs/dbraw/zinc/34/34/70/570343470.db2.gz ONXHUFDSPWZSEG-CZAAIQMYSA-N 0 0 379.504 3.179 50 0 GGAARN COC(=O)c1nc([C@H](CCSC)NC(=O)OCc2ccccc2)oc1C ZINC000218909825 570343474 /nfs/dbraw/zinc/34/34/74/570343474.db2.gz YTFJQLWBQLCECL-AWEZNQCLSA-N 0 0 378.450 3.490 50 0 GGAARN CC(C)C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)N[C@H](C)c1ccccc1 ZINC000035363907 570344252 /nfs/dbraw/zinc/34/42/52/570344252.db2.gz QCGAHBJAJFJKIV-VOQZNFBZSA-N 0 0 393.531 3.109 50 0 biogenic GGAARN Cc1cccc(Nc2ccc(NCCNC(=O)c3ccccc3Cl)nn2)n1 ZINC000011697045 570344449 /nfs/dbraw/zinc/34/44/49/570344449.db2.gz FNSOLXBWFWFZIK-UHFFFAOYSA-N 0 0 382.855 3.419 50 0 GGAARN CN1CCN([C@H](c2ccc(Cl)cc2)[C@H](O)C(=O)c2c[nH]c3ccccc32)CC1 ZINC000023116790 570344677 /nfs/dbraw/zinc/34/46/77/570344677.db2.gz 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COc1ccccc1NC(=O)CSc1nccn(-c2ccc(C)c(F)c2)c1=O ZINC000004853098 570347785 /nfs/dbraw/zinc/34/77/85/570347785.db2.gz IWGZJICOWIBFMD-UHFFFAOYSA-N 0 0 399.447 3.419 50 0 GGAARN O=C(CSc1nccn(-c2ccc(F)c(F)c2)c1=O)NC1CCCCC1 ZINC000004853303 570347850 /nfs/dbraw/zinc/34/78/50/570347850.db2.gz GSDSBWFFQBQEQZ-UHFFFAOYSA-N 0 0 379.432 3.052 50 0 GGAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 ZINC000003606702 570348477 /nfs/dbraw/zinc/34/84/77/570348477.db2.gz BKVQKAJVNWEDSH-AWEZNQCLSA-N 0 0 384.432 3.094 50 0 GGAARN CCOC(=O)c1sc(NC(=O)CN2CCC[C@@H](C)C2)c(C(=O)OCC)c1C ZINC000003564767 570348498 /nfs/dbraw/zinc/34/84/98/570348498.db2.gz ONTUIMJYSOQYDU-GFCCVEGCSA-N 0 0 396.509 3.080 50 0 GGAARN COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000004854027 570348776 /nfs/dbraw/zinc/34/87/76/570348776.db2.gz GLPFXLNGMFJUPG-NRFANRHFSA-N 0 0 398.484 3.299 50 0 GGAARN COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000004854022 570348838 /nfs/dbraw/zinc/34/88/38/570348838.db2.gz 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/nfs/dbraw/zinc/35/32/00/570353200.db2.gz MDMFVRJFORCQAD-SFHVURJKSA-N 0 0 398.463 3.460 50 0 GGAARN COc1cccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nnnn32)c1 ZINC000004879180 570353744 /nfs/dbraw/zinc/35/37/44/570353744.db2.gz COFFGTZSQHCIBV-LJQANCHMSA-N 0 0 390.447 3.226 50 0 GGAARN CC[C@@H](c1n[nH]c2c1CN(C(=O)CCc1cnccn1)CC2)c1ccccc1 ZINC000023310743 570354120 /nfs/dbraw/zinc/35/41/20/570354120.db2.gz GCPQZUQZRANWRM-GOSISDBHSA-N 0 0 375.476 3.259 50 0 GGAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1cc(-c2ccoc2)cn1 ZINC000575615469 570354385 /nfs/dbraw/zinc/35/43/85/570354385.db2.gz ORMQMLMICAGSGO-UHFFFAOYSA-N 0 0 379.395 3.113 50 0 GGAARN COC[C@@H]1[C@H](NC(=O)C(C)(C)Oc2cc(C)ccc2C(C)C)[C@@H]2CCO[C@H]12 ZINC000219328485 570355119 /nfs/dbraw/zinc/35/51/19/570355119.db2.gz VFDWRVJGFCSGQC-CUDHKJQZSA-N 0 0 375.509 3.442 50 0 GGAARN COc1ccc2c(c1)nc1n2CN(C[C@@H]2CCCO2)CN1Cc1ccccc1 ZINC000004037940 570355215 /nfs/dbraw/zinc/35/52/15/570355215.db2.gz UPEJPPWFTGSHOP-IBGZPJMESA-N 0 0 378.476 3.461 50 0 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/nfs/dbraw/zinc/35/67/89/570356789.db2.gz RDSBDPUMQICHNJ-FNEOHHHZSA-N 0 0 384.495 3.416 50 0 GGAARN CCOc1ccccc1CN1CCN(Cc2ccc(OC)cc2)C[C@@H]1CCO ZINC000023361355 570356974 /nfs/dbraw/zinc/35/69/74/570356974.db2.gz ZBNYJGNHSHPBJV-NRFANRHFSA-N 0 0 384.520 3.163 50 0 GGAARN CCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 ZINC000004092175 570357032 /nfs/dbraw/zinc/35/70/32/570357032.db2.gz SORVESWUYONYLS-UHFFFAOYSA-N 0 0 381.476 3.396 50 0 GGAARN O=C(c1cc(-c2cccnc2)on1)N1CCC(Oc2ccncc2Cl)CC1 ZINC000390826769 570357208 /nfs/dbraw/zinc/35/72/08/570357208.db2.gz PCUVVEYUYWDHGI-UHFFFAOYSA-N 0 0 384.823 3.469 50 0 GGAARN O=C(c1ccc(F)c(F)c1F)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575616189 570357498 /nfs/dbraw/zinc/35/74/98/570357498.db2.gz HUISGRWDSUDNMM-GFCCVEGCSA-N 0 0 387.361 3.291 50 0 GGAARN CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOc2ccccc2)cc1 ZINC000004113591 570357601 /nfs/dbraw/zinc/35/76/01/570357601.db2.gz GAQOUJZTVKIYHH-FQEVSTJZSA-N 0 0 380.444 3.499 50 0 GGAARN O=C(c1ccc(F)c(F)c1F)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 ZINC000575616191 570357778 /nfs/dbraw/zinc/35/77/78/570357778.db2.gz HUISGRWDSUDNMM-LBPRGKRZSA-N 0 0 387.361 3.291 50 0 GGAARN Cn1cc(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)c(-c2ccccc2)n1 ZINC000023373621 570357868 /nfs/dbraw/zinc/35/78/68/570357868.db2.gz NXKMCRGCECXAGC-NRFANRHFSA-N 0 0 396.560 3.217 50 0 GGAARN COc1ccc(CCNC(=O)NCCn2nc(C)c(-c3ccco3)c2C)cc1 ZINC000575616288 570358109 /nfs/dbraw/zinc/35/81/09/570358109.db2.gz YWQRVGUBHTZRFI-UHFFFAOYSA-N 0 0 382.464 3.310 50 0 GGAARN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3C)cc2)CC1 ZINC000004121071 570358517 /nfs/dbraw/zinc/35/85/17/570358517.db2.gz WSVIRYNMKBHBGZ-UHFFFAOYSA-N 0 0 395.503 3.461 50 0 GGAARN Cn1cc(-c2ccc(CNC(=O)c3cccc(OC(F)(F)F)c3)cn2)cn1 ZINC000575616768 570358660 /nfs/dbraw/zinc/35/86/60/570358660.db2.gz PEQOHJYASOCMQE-UHFFFAOYSA-N 0 0 376.338 3.311 50 0 GGAARN O=C(Cc1ccccc1Cl)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 ZINC000575616909 570359681 /nfs/dbraw/zinc/35/96/81/570359681.db2.gz 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CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000004740420 570400469 /nfs/dbraw/zinc/40/04/69/570400469.db2.gz GZYOFQMPXNACII-HUUCEWRRSA-N 0 0 376.478 3.169 50 0 GGAARN Cc1nccn1-c1cc(NCCNC(=O)Nc2cccc(Cl)c2C)nc(C)n1 ZINC000035598117 570400533 /nfs/dbraw/zinc/40/05/33/570400533.db2.gz RYQIHIITDQVFDQ-UHFFFAOYSA-N 0 0 399.886 3.475 50 0 GGAARN Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1 ZINC000005032854 570401714 /nfs/dbraw/zinc/40/17/14/570401714.db2.gz NXWWFCBMXCJBPT-UHFFFAOYSA-N 0 0 386.429 3.067 50 0 GGAARN CCOc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2C)cc1 ZINC000005034006 570401990 /nfs/dbraw/zinc/40/19/90/570401990.db2.gz KYSMUZQIDGCAJJ-AWEZNQCLSA-N 0 0 383.477 3.489 50 0 GGAARN COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1 ZINC000005033903 570402006 /nfs/dbraw/zinc/40/20/06/570402006.db2.gz AWVZLHJWFBKBOY-CQSZACIVSA-N 0 0 383.477 3.407 50 0 GGAARN CCOc1ccc(NC(=O)[C@@H](C)Sc2nnnn2-c2ccc(OC)cc2)cc1 ZINC000005033935 570402010 /nfs/dbraw/zinc/40/20/10/570402010.db2.gz 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/nfs/dbraw/zinc/40/39/15/570403915.db2.gz RIMVZSOILGECBG-UHFFFAOYSA-N 0 0 382.372 3.195 50 0 GGAARN CCOC(=O)c1ccc(NC(=S)N2CCN(c3ccccc3O)CC2)cc1 ZINC000006392618 570403932 /nfs/dbraw/zinc/40/39/32/570403932.db2.gz KGYAIGXWYXTLPF-UHFFFAOYSA-N 0 0 385.489 3.088 50 0 GGAARN COc1cc2c(cc1OC)CN1C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]1C2 ZINC000004761339 570404469 /nfs/dbraw/zinc/40/44/69/570404469.db2.gz UJUUFEOBXUGYNE-HNNXBMFYSA-N 0 0 388.876 3.416 50 0 GGAARN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)NCc2ccco2)cc1 ZINC000017028533 570405500 /nfs/dbraw/zinc/40/55/00/570405500.db2.gz VHXFHGSCIYIYMT-AKIFATBCSA-N 0 0 398.503 3.273 50 0 biogenic GGAARN CCc1ccc(CN(C(=O)c2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000005047270 570405764 /nfs/dbraw/zinc/40/57/64/570405764.db2.gz OVFLWBKMHYCZCR-LJQANCHMSA-N 0 0 387.501 3.087 50 0 GGAARN CCc1ccc(CN(C(=O)c2cccc(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005047271 570405835 /nfs/dbraw/zinc/40/58/35/570405835.db2.gz OVFLWBKMHYCZCR-IBGZPJMESA-N 0 0 387.501 3.087 50 0 GGAARN CCOC(=O)c1cc(CC)sc1NC(=O)CCn1c(=O)oc2ccccc21 ZINC000004807634 570406720 /nfs/dbraw/zinc/40/67/20/570406720.db2.gz SRZIKUXZFFWWPE-UHFFFAOYSA-N 0 0 388.445 3.424 50 0 GGAARN COc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000004809423 570407066 /nfs/dbraw/zinc/40/70/66/570407066.db2.gz YJKZIXMUNCJUPI-UHFFFAOYSA-N 0 0 396.468 3.426 50 0 GGAARN COc1ccccc1N1C(=O)C[C@H](Nc2ccc(N3CCCCC3)cc2)C1=O ZINC000004810435 570407370 /nfs/dbraw/zinc/40/73/70/570407370.db2.gz ARJNKIVMNKVQOX-SFHVURJKSA-N 0 0 379.460 3.430 50 0 GGAARN COC(=O)c1c2c(sc1NC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)CCCC2 ZINC000004810826 570407404 /nfs/dbraw/zinc/40/74/04/570407404.db2.gz ZDYDPUNTOSEJKN-VQTJNVASSA-N 0 0 391.489 3.474 50 0 GGAARN COc1ccccc1N1C[C@@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)CC1=O ZINC000025157555 570407475 /nfs/dbraw/zinc/40/74/75/570407475.db2.gz SEJPSFLKLZEEJV-HNNXBMFYSA-N 0 0 389.455 3.114 50 0 biogenic GGAARN COc1ccccc1OC1CCN(C(=O)COc2ccc(F)cc2F)CC1 ZINC000222268009 570408091 /nfs/dbraw/zinc/40/80/91/570408091.db2.gz BDJRVSOQGZLCMO-UHFFFAOYSA-N 0 0 377.387 3.422 50 0 GGAARN Cc1ccc(C(O)=C2[C@@H](c3ccc(C)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000004818427 570408342 /nfs/dbraw/zinc/40/83/42/570408342.db2.gz MOXGFSXLIUBXOG-FCEWJHQRSA-N 0 0 392.377 3.407 50 0 GGAARN CC(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S@]2=O ZINC000005058611 570408433 /nfs/dbraw/zinc/40/84/33/570408433.db2.gz RZZVAOLSZHVGNM-MHZLTWQESA-N 0 0 384.501 3.117 50 0 GGAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c12 ZINC000032648563 570408525 /nfs/dbraw/zinc/40/85/25/570408525.db2.gz BSNAXODXLMEPPN-UHFFFAOYSA-N 0 0 378.411 3.221 50 0 GGAARN CCc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(OC)c(O)c2)cc1 ZINC000004821302 570408866 /nfs/dbraw/zinc/40/88/66/570408866.db2.gz IPXMDKPLLMQYDM-LJQANCHMSA-N 0 0 381.432 3.230 50 0 GGAARN O=C(NCc1ccccc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 ZINC000004836920 570409762 /nfs/dbraw/zinc/40/97/62/570409762.db2.gz UPXLNAFGOOJYSS-GZTJUZNOSA-N 0 0 390.395 3.096 50 0 GGAARN CCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000004838892 570410016 /nfs/dbraw/zinc/41/00/16/570410016.db2.gz QSKVXTITHYMOPF-UHFFFAOYSA-N 0 0 396.896 3.218 50 0 GGAARN CCOc1ccc2nc(NC(=O)C[C@H]3Oc4ccccc4NC3=O)sc2c1 ZINC000005069250 570411001 /nfs/dbraw/zinc/41/10/01/570411001.db2.gz QTYKFVOWHRZNIN-OAHLLOKOSA-N 0 0 383.429 3.423 50 0 GGAARN Cc1ccc(OCc2nnc(SCC(=O)NCc3ccco3)n2C)cc1C ZINC000004842178 570411062 /nfs/dbraw/zinc/41/10/62/570411062.db2.gz IJJNHXJYAZTBHU-UHFFFAOYSA-N 0 0 386.477 3.012 50 0 GGAARN COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCc2ccco2)cc1 ZINC000004844557 570411196 /nfs/dbraw/zinc/41/11/96/570411196.db2.gz RQMUOTFKRMBSKN-ZHZULCJRSA-N 0 0 376.412 3.376 50 0 GGAARN Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H](O)c2ccccc2)n1C ZINC000004843192 570411201 /nfs/dbraw/zinc/41/12/01/570411201.db2.gz SNJWXXLWCGFKDR-SFHVURJKSA-N 0 0 382.489 3.244 50 0 GGAARN CCOc1ccccc1NC(=O)CCCNC(=O)c1ccc(OC)c(OC)c1 ZINC000035673136 570411992 /nfs/dbraw/zinc/41/19/92/570411992.db2.gz 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ZINC000004858281 570412952 /nfs/dbraw/zinc/41/29/52/570412952.db2.gz FAQJYOQSUCTDLT-IBGZPJMESA-N 0 0 396.443 3.465 50 0 GGAARN CCOc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000004857605 570413029 /nfs/dbraw/zinc/41/30/29/570413029.db2.gz XRJKTZHHZCYUST-MRXNPFEDSA-N 0 0 388.489 3.125 50 0 GGAARN O=S(=O)(c1ccccc1)n1nc(-c2cccnc2)nc1NCc1ccccc1 ZINC000004866696 570413523 /nfs/dbraw/zinc/41/35/23/570413523.db2.gz ZPFCTDBWTSUQQT-UHFFFAOYSA-N 0 0 391.456 3.189 50 0 GGAARN CCCOc1ccc(CC(=O)NCCc2ccc(OC)c(OC)c2)cc1OC ZINC000004866851 570413694 /nfs/dbraw/zinc/41/36/94/570413694.db2.gz GIFYJSINDJJVNE-UHFFFAOYSA-N 0 0 387.476 3.403 50 0 GGAARN CCOc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000004867688 570413786 /nfs/dbraw/zinc/41/37/86/570413786.db2.gz UCRLEFYPJZZNDL-UHFFFAOYSA-N 0 0 396.896 3.139 50 0 GGAARN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000004868160 570414105 /nfs/dbraw/zinc/41/41/05/570414105.db2.gz KXRHDOPRTUKPFQ-UHFFFAOYSA-N 0 0 388.489 3.125 50 0 GGAARN Cc1ccc(C(NC(=O)C[C@@H]([NH3+])C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000004899675 570416282 /nfs/dbraw/zinc/41/62/82/570416282.db2.gz RSGFXZGZDIQYCG-OAQYLSRUSA-N 0 0 388.467 3.205 50 0 GGAARN O=C(C1CC1)N1CCCc2cc(NS(=O)(=O)CCc3ccccc3)ccc21 ZINC000005099582 570416361 /nfs/dbraw/zinc/41/63/61/570416361.db2.gz AZYQOSYKNTZOBT-UHFFFAOYSA-N 0 0 384.501 3.360 50 0 GGAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(C(N)=O)cc1 ZINC000035684862 570416316 /nfs/dbraw/zinc/41/63/16/570416316.db2.gz GIOOEOAPPYSCAO-INIZCTEOSA-N 0 0 389.415 3.129 50 0 GGAARN COc1cc(OC)cc(-c2nnc(SCc3nc4ccccc4c(=O)[nH]3)o2)c1 ZINC000004911156 570417274 /nfs/dbraw/zinc/41/72/74/570417274.db2.gz AXBPSYJWUWFCEG-UHFFFAOYSA-N 0 0 396.428 3.283 50 0 GGAARN COc1ccc(CCNC(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)C(C)C)cc1 ZINC000035686256 570417414 /nfs/dbraw/zinc/41/74/14/570417414.db2.gz LDNQTNSRTAYQMZ-OAQYLSRUSA-N 0 0 393.487 3.290 50 0 GGAARN CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(Cl)cc2)CC1 ZINC000004933408 570418610 /nfs/dbraw/zinc/41/86/10/570418610.db2.gz HFQAJSICKIARLD-UHFFFAOYSA-N 0 0 387.867 3.026 50 0 GGAARN O=c1oc2cc(OC[C@@H](O)Cn3cnc4ccccc43)ccc2c2c1CCC2 ZINC000004937248 570418926 /nfs/dbraw/zinc/41/89/26/570418926.db2.gz DSXZRNVOAFMQLD-AWEZNQCLSA-N 0 0 376.412 3.071 50 0 GGAARN COc1ccc(-c2noc(CNC(=O)Cc3ccc(Cl)cc3)n2)cc1OC ZINC000004943591 570419243 /nfs/dbraw/zinc/41/92/43/570419243.db2.gz GXOKWSYGFRINDU-UHFFFAOYSA-N 0 0 387.823 3.266 50 0 GGAARN COc1ccc(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000004943652 570419280 /nfs/dbraw/zinc/41/92/80/570419280.db2.gz YTKYBMXOEPVMFL-UHFFFAOYSA-N 0 0 387.823 3.436 50 0 GGAARN CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccccc1O ZINC000004945548 570419284 /nfs/dbraw/zinc/41/92/84/570419284.db2.gz WNQJHESNQVPEKP-UHFFFAOYSA-N 0 0 379.445 3.199 50 0 GGAARN COCCNC(=O)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000004952941 570419515 /nfs/dbraw/zinc/41/95/15/570419515.db2.gz DTXOYSGOKJXAIG-ZIAGYGMSSA-N 0 0 386.349 3.059 50 0 GGAARN CC(C)CN1C[C@H](C(=O)N[C@H](c2nc3ccccc3[nH]2)c2ccccc2)CC1=O ZINC000253412671 570419885 /nfs/dbraw/zinc/41/98/85/570419885.db2.gz RRQIBUNTCNCRTL-UTKZUKDTSA-N 0 0 390.487 3.273 50 0 GGAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCCNc1ncccn1 ZINC000253409617 570420014 /nfs/dbraw/zinc/42/00/14/570420014.db2.gz MCUYKICWHUOJOZ-KRWDZBQOSA-N 0 0 383.883 3.334 50 0 GGAARN O=C(Nc1nnc(CCCc2ccccc2)s1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000004975961 570421012 /nfs/dbraw/zinc/42/10/12/570421012.db2.gz LHUVOARAIOYINB-INIZCTEOSA-N 0 0 398.532 3.443 50 0 GGAARN Cc1nn(CCC(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c2ccccc12 ZINC000072255614 570421203 /nfs/dbraw/zinc/42/12/03/570421203.db2.gz QNZPBUGQJUDKLG-UHFFFAOYSA-N 0 0 386.496 3.204 50 0 GGAARN CCSCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cc(F)cc(F)c1 ZINC000004987027 570421580 /nfs/dbraw/zinc/42/15/80/570421580.db2.gz HRBARQAHZNDYDX-HNNXBMFYSA-N 0 0 380.420 3.142 50 0 GGAARN CC(C)(C)c1ccc(O)c(NC(=O)CSc2nnnn2-c2ccccc2)c1 ZINC000004988438 570421890 /nfs/dbraw/zinc/42/18/90/570421890.db2.gz BPBBTGULQMAASZ-UHFFFAOYSA-N 0 0 383.477 3.396 50 0 GGAARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc3c(c2)OCO3)c(C)c1 ZINC000004991194 570422041 /nfs/dbraw/zinc/42/20/41/570422041.db2.gz GWLIJZDVTQSAMI-LJQANCHMSA-N 0 0 379.416 3.299 50 0 GGAARN CCCOc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C ZINC000005001265 570423236 /nfs/dbraw/zinc/42/32/36/570423236.db2.gz SGVALMXWMPRYCC-UHFFFAOYSA-N 0 0 377.462 3.299 50 0 GGAARN COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000005008747 570423528 /nfs/dbraw/zinc/42/35/28/570423528.db2.gz GILNGFMPIOEKDM-FQEVSTJZSA-N 0 0 396.443 3.083 50 0 GGAARN Cc1ccnc(NC(=O)c2c(O)c3c(n(Cc4ccco4)c2=O)CCCC3)c1 ZINC000006444264 570423745 /nfs/dbraw/zinc/42/37/45/570423745.db2.gz KPGDXHRYROHGFG-UHFFFAOYSA-N 0 0 379.416 3.030 50 0 GGAARN C[C@@H](C(=O)OCc1ccccc1)n1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000001784967 570423957 /nfs/dbraw/zinc/42/39/57/570423957.db2.gz NQUNTITXDMEXFV-OLZOCXBDSA-N 0 0 383.473 3.282 50 0 GGAARN CCCOC(=O)Cn1cnc2sc(C(=O)Nc3ccccc3C)c(C)c2c1=O ZINC000001784738 570424021 /nfs/dbraw/zinc/42/40/21/570424021.db2.gz MQXAEHJEWOOIFH-UHFFFAOYSA-N 0 0 399.472 3.280 50 0 GGAARN CCCCCOC(=O)Cn1cnc2sc(C(=O)OCC(C)C)c(C)c2c1=O ZINC000001784763 570424070 /nfs/dbraw/zinc/42/40/70/570424070.db2.gz WONLMYDMHDFEPJ-UHFFFAOYSA-N 0 0 394.493 3.313 50 0 GGAARN O=S(=O)(NCc1ccccc1CN1CCOCC1)c1ccc2ccccc2c1 ZINC000026358009 570424861 /nfs/dbraw/zinc/42/48/61/570424861.db2.gz BDAUPXZTOVCDRY-UHFFFAOYSA-N 0 0 396.512 3.151 50 0 GGAARN COCCCN1C(=O)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 ZINC000005028494 570424895 /nfs/dbraw/zinc/42/48/95/570424895.db2.gz PSLMFCCWYQJZIO-SFHVURJKSA-N 0 0 399.422 3.028 50 0 GGAARN COc1ccc(C2=NO[C@@H](C(=O)Nc3cc(C)nn3-c3ccccc3)C2)cc1 ZINC000005029050 570424912 /nfs/dbraw/zinc/42/49/12/570424912.db2.gz PQZKVABVXCMHRU-LJQANCHMSA-N 0 0 376.416 3.321 50 0 GGAARN Cc1cccc(Cc2cnc(NC(=O)c3ccc(-n4cnnn4)cc3)s2)c1 ZINC000005034657 570425188 /nfs/dbraw/zinc/42/51/88/570425188.db2.gz 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CCCC[C@@H](CC)C[NH2+][C@H](CC(=O)Nc1ccc(OC)cc1OC)C(=O)[O-] ZINC000005258344 570527863 /nfs/dbraw/zinc/52/78/63/570527863.db2.gz ONTBQPGIONSDIY-RHSMWYFYSA-N 0 0 380.485 3.292 50 0 GGAARN CCCC[C@@H](CC)C[NH2+][C@H](CC(=O)Nc1cc(OC)ccc1OC)C(=O)[O-] ZINC000005258375 570527876 /nfs/dbraw/zinc/52/78/76/570527876.db2.gz PASUKWCFNQRALG-RHSMWYFYSA-N 0 0 380.485 3.292 50 0 GGAARN COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000003007768 570528326 /nfs/dbraw/zinc/52/83/26/570528326.db2.gz KSAVTWYYPCMBIR-ZDUSSCGKSA-N 0 0 376.815 3.157 50 0 GGAARN COc1ccc(NC(=O)CSCC(=O)Nc2cccc3nsnc32)cc1 ZINC000008333488 570528699 /nfs/dbraw/zinc/52/86/99/570528699.db2.gz JOKKLTGBWZRJNW-UHFFFAOYSA-N 0 0 388.474 3.010 50 0 GGAARN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)cc1C ZINC000005250687 570528719 /nfs/dbraw/zinc/52/87/19/570528719.db2.gz XKDCDOFZPIGZAA-UHFFFAOYSA-N 0 0 394.518 3.034 50 0 GGAARN CCCCn1c(=O)c2c(nc3n2CCCCN3c2ccc(CC)cc2)n(C)c1=O ZINC000005251859 570528945 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CCOC(=O)CCNC(=O)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000005256105 570530836 /nfs/dbraw/zinc/53/08/36/570530836.db2.gz FJMKRORNYNWMGR-SFHVURJKSA-N 0 0 375.856 3.209 50 0 GGAARN COc1ccc(CN2C(=O)N(C(C)C)[C@@H](N(O)C(=O)NC(C)C)C2(C)C)cc1 ZINC000005259930 570533392 /nfs/dbraw/zinc/53/33/92/570533392.db2.gz URCZJBJDZHNWDN-KRWDZBQOSA-N 0 0 392.500 3.255 50 0 biogenic GGAARN CCCN1c2ccc(Cl)cc2[C@@](O)(CC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000005267453 570533946 /nfs/dbraw/zinc/53/39/46/570533946.db2.gz FNHQIPQBGGEUSW-FQEVSTJZSA-N 0 0 387.819 3.286 50 0 GGAARN Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)c3ccncc3)cc2c1 ZINC000008578957 570534690 /nfs/dbraw/zinc/53/46/90/570534690.db2.gz QXHSGGZMVMXBSQ-UHFFFAOYSA-N 0 0 384.439 3.469 50 0 GGAARN CSCC[C@@H](NC(=O)c1cc(-c2cccs2)n[nH]1)c1nnc2ccccn21 ZINC000206235869 570535166 /nfs/dbraw/zinc/53/51/66/570535166.db2.gz NSLBHIAPAWBISL-GFCCVEGCSA-N 0 0 398.517 3.405 50 0 GGAARN CSCC[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1nc2ccccc2[nH]1 ZINC000206229291 570535203 /nfs/dbraw/zinc/53/52/03/570535203.db2.gz YBBUGPLENZRKSQ-OAHLLOKOSA-N 0 0 396.472 3.118 50 0 GGAARN CCOC(=O)C1=NN(C(=O)c2cccc(C)c2)[C@](O)(c2ccc(Cl)cc2)C1 ZINC000001213675 570535281 /nfs/dbraw/zinc/53/52/81/570535281.db2.gz MQFOBXFNTMRBCI-HXUWFJFHSA-N 0 0 386.835 3.259 50 0 GGAARN Cc1cccc(OCc2nnc(SCc3nc4ccccc4c(=O)[nH]3)o2)c1 ZINC000008607065 570535349 /nfs/dbraw/zinc/53/53/49/570535349.db2.gz SYTZRFHKQVGCPR-UHFFFAOYSA-N 0 0 380.429 3.486 50 0 GGAARN CCc1ccc(N2C[C@@H](c3nnc(NC(=O)c4ccco4)s3)CC2=O)cc1 ZINC000008654693 570536402 /nfs/dbraw/zinc/53/64/02/570536402.db2.gz ZBIDWULIOONXAP-ZDUSSCGKSA-N 0 0 382.445 3.466 50 0 GGAARN Cc1nc(C)c(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)s1 ZINC000008697455 570537625 /nfs/dbraw/zinc/53/76/25/570537625.db2.gz SKFDDNRTCRWQJE-UHFFFAOYSA-N 0 0 381.505 3.420 50 0 GGAARN Cc1cc(C)c(C)c(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000022478365 570538244 /nfs/dbraw/zinc/53/82/44/570538244.db2.gz TYSIPFZPVQUTNO-UHFFFAOYSA-N 0 0 396.487 3.064 50 0 GGAARN CCOc1ccc(C(=O)CC[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000002922182 570538834 /nfs/dbraw/zinc/53/88/34/570538834.db2.gz YDWFIWUURTVQLS-FQEVSTJZSA-N 0 0 380.444 3.425 50 0 GGAARN COc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21Nc2ccccc2C(=O)N1 ZINC000008744403 570539354 /nfs/dbraw/zinc/53/93/54/570539354.db2.gz DEVNHINVTAHYMI-JOCHJYFZSA-N 0 0 375.428 3.246 50 0 biogenic GGAARN COc1ccccc1Nc1nc([C@]2(C)C[C@@]3(C[C@H](C)OC3=O)C(=O)O2)cs1 ZINC000003999817 570539414 /nfs/dbraw/zinc/53/94/14/570539414.db2.gz BPDVNLRXMMCAFG-KQPNJSLMSA-N 0 0 388.445 3.379 50 0 biogenic GGAARN COC(=O)C1=C(N)Oc2c3ccccc3sc(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000008748118 570540438 /nfs/dbraw/zinc/54/04/38/570540438.db2.gz LXHRPGHOSQFNRH-AWEZNQCLSA-N 0 0 383.400 3.268 50 0 GGAARN O=C(NC[C@@H]1CCCO1)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000004953000 570540533 /nfs/dbraw/zinc/54/05/33/570540533.db2.gz IIDPACVCSGOKGJ-ZKYQVNSYSA-N 0 0 384.358 3.045 50 0 GGAARN CCOC(=O)c1ccc(C)c(NC(=O)c2nc3n(n2)[C@@H](C(F)F)C[C@H](C)N3)c1 ZINC000004993505 570540597 /nfs/dbraw/zinc/54/05/97/570540597.db2.gz DURRWYFXFRHYCQ-GXFFZTMASA-N 0 0 393.394 3.026 50 0 GGAARN CCOC(=O)C(CCOCCOc1cc(C)c(Cl)c(C)c1)C(=O)OCC ZINC000005091526 570541072 /nfs/dbraw/zinc/54/10/72/570541072.db2.gz SZYAYTHDDKVJEJ-UHFFFAOYSA-N 0 0 386.872 3.485 50 0 GGAARN CCOC(=O)c1ccc(C)c(NC(=O)c2nc3n(n2)[C@@H](C(F)F)C[C@@H](C)N3)c1 ZINC000004993507 570541202 /nfs/dbraw/zinc/54/12/02/570541202.db2.gz DURRWYFXFRHYCQ-ZWNOBZJWSA-N 0 0 393.394 3.026 50 0 GGAARN COc1ccccc1-c1cc(NC(=O)[C@H]2COCCO2)n(-c2ccc(C)cc2)n1 ZINC000192506521 570542233 /nfs/dbraw/zinc/54/22/33/570542233.db2.gz MOBWZCKQQJLTPI-HXUWFJFHSA-N 0 0 393.443 3.210 50 0 GGAARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000008816176 570542424 /nfs/dbraw/zinc/54/24/24/570542424.db2.gz YQAQHNKYVCCOCY-HUUCEWRRSA-N 0 0 398.484 3.439 50 0 GGAARN C[C@H](C[NH+]1CCCCC1)NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000192778576 570542791 /nfs/dbraw/zinc/54/27/91/570542791.db2.gz WUWSLDNGOXLGBM-CQSZACIVSA-N 0 0 380.414 3.495 50 0 GGAARN COc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(C)cc3)C2=O)cc1 ZINC000100277732 570543040 /nfs/dbraw/zinc/54/30/40/570543040.db2.gz DAIPFYIGWQNANZ-QGZVFWFLSA-N 0 0 384.457 3.007 50 0 GGAARN COC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1 ZINC000005268972 570543830 /nfs/dbraw/zinc/54/38/30/570543830.db2.gz UYMJWWJUOVSBRF-UHFFFAOYSA-N 0 0 380.375 3.075 50 0 GGAARN O=C(Cn1nc(C2CC2)c2cnn(-c3ccccc3)c2c1=O)Nc1ccccc1 ZINC000022767863 570544130 /nfs/dbraw/zinc/54/41/30/570544130.db2.gz BDZDWBCNNJYTDP-UHFFFAOYSA-N 0 0 385.427 3.098 50 0 GGAARN CC(C)c1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCOCC2)cc1 ZINC000022767387 570544217 /nfs/dbraw/zinc/54/42/17/570544217.db2.gz HHOKWSCIJCJNGD-LJQANCHMSA-N 0 0 394.562 3.223 50 0 GGAARN Cc1cc(O[C@@H](C)C(=O)NCc2ccccn2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000005269380 570544692 /nfs/dbraw/zinc/54/46/92/570544692.db2.gz LVENVOOUBKKBBR-HNNXBMFYSA-N 0 0 392.455 3.459 50 0 GGAARN O=C(NCc1ccccn1)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000008974745 570545008 /nfs/dbraw/zinc/54/50/08/570545008.db2.gz HXIMYOURFIMZIK-UHFFFAOYSA-N 0 0 396.516 3.261 50 0 GGAARN COC(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc1 ZINC000005269673 570545100 /nfs/dbraw/zinc/54/51/00/570545100.db2.gz RCSJWLDGQVBJSC-UHFFFAOYSA-N 0 0 376.412 3.244 50 0 GGAARN NC(=O)c1ccccc1NC(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O ZINC000005269602 570545221 /nfs/dbraw/zinc/54/52/21/570545221.db2.gz LHQFKUOTMDBFRK-UHFFFAOYSA-N 0 0 399.809 3.040 50 0 GGAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccn(Cc2ccccc2F)c1=O ZINC000005270427 570546289 /nfs/dbraw/zinc/54/62/89/570546289.db2.gz WMVZPUFMQCOKLO-UHFFFAOYSA-N 0 0 380.375 3.059 50 0 GGAARN CC(=O)Nc1ccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)cc1 ZINC000005270514 570546393 /nfs/dbraw/zinc/54/63/93/570546393.db2.gz RJQLYFFLLZTPCF-UHFFFAOYSA-N 0 0 379.391 3.246 50 0 GGAARN O=C(CN1CCN(C[C@H]2CCCO2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000022790276 570548007 /nfs/dbraw/zinc/54/80/07/570548007.db2.gz VDTLLMDKMRITMI-HXUWFJFHSA-N 0 0 395.503 3.214 50 0 GGAARN COC(=O)c1ccc(OCc2nnc(C(=O)Nc3cccc(C)c3)s2)cc1 ZINC000034927252 570548240 /nfs/dbraw/zinc/54/82/40/570548240.db2.gz CWYNPIFZELZTNO-UHFFFAOYSA-N 0 0 383.429 3.464 50 0 GGAARN CCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2Cc1cc2c(cc1Cl)OCO2 ZINC000006720006 570548658 /nfs/dbraw/zinc/54/86/58/570548658.db2.gz IVNUNGIQQBZVFQ-IBGZPJMESA-N 0 0 386.835 3.355 50 0 GGAARN CCOC(=O)[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1OC ZINC000009096266 570549247 /nfs/dbraw/zinc/54/92/47/570549247.db2.gz WMRSLTCMJNOYPJ-QZTJIDSGSA-N 0 0 395.415 3.424 50 0 GGAARN Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)c3cccnc3)cc2c1 ZINC000009123917 570549999 /nfs/dbraw/zinc/54/99/99/570549999.db2.gz CDCCDCQJFNVLGM-UHFFFAOYSA-N 0 0 384.439 3.469 50 0 GGAARN COc1ccc(NC(=O)CCCCCn2nnc3ccccc3c2=O)c(OC)c1 ZINC000005303342 570550097 /nfs/dbraw/zinc/55/00/97/570550097.db2.gz LMYRXIIMIZCYSB-UHFFFAOYSA-N 0 0 396.447 3.008 50 0 GGAARN COc1cccc(NC(=O)CCCNC(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000009183991 570550880 /nfs/dbraw/zinc/55/08/80/570550880.db2.gz BEZIWDXIKRJZOS-UHFFFAOYSA-N 0 0 382.420 3.232 50 0 GGAARN CC(=O)c1ccc(NC(=O)CCCCCn2nnc3ccccc3c2=O)cc1 ZINC000005307890 570551313 /nfs/dbraw/zinc/55/13/13/570551313.db2.gz AZKYWXSPZAOEEO-UHFFFAOYSA-N 0 0 378.432 3.193 50 0 GGAARN Cc1cc(O[C@H](C)C(=O)NCc2cccnc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000005307721 570551324 /nfs/dbraw/zinc/55/13/24/570551324.db2.gz XUTDJEAEXNCAED-CQSZACIVSA-N 0 0 378.428 3.069 50 0 GGAARN COc1ccc(CC(=O)Nc2nc3n(n2)[C@H](c2ccccc2)C[C@H](C)N3)cc1 ZINC000005307513 570551341 /nfs/dbraw/zinc/55/13/41/570551341.db2.gz SSVORFFIBVYOFO-KSSFIOAISA-N 0 0 377.448 3.261 50 0 GGAARN COc1ccc(CC(=O)Nc2nc3n(n2)[C@@H](c2ccccc2)C[C@H](C)N3)cc1 ZINC000005307508 570551371 /nfs/dbraw/zinc/55/13/71/570551371.db2.gz SSVORFFIBVYOFO-KBXCAEBGSA-N 0 0 377.448 3.261 50 0 GGAARN Cc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3ccccc3C(F)(F)F)N2)cc1 ZINC000009192449 570551575 /nfs/dbraw/zinc/55/15/75/570551575.db2.gz FKOCXLHKBRDZRL-OAHLLOKOSA-N 0 0 390.365 3.309 50 0 GGAARN COc1cccc(N=c2sc(C(C)=O)c(C)n2CCCN2CCOCC2)c1 ZINC000005299033 570551663 /nfs/dbraw/zinc/55/16/63/570551663.db2.gz HJSOWEPZXLCQMZ-MRCUWXFGSA-N 0 0 389.521 3.024 50 0 GGAARN Cc1ccc(NC2=NC(=O)C[C@@H](C(=O)Nc3ccccc3C(F)(F)F)N2)cc1 ZINC000009192451 570551668 /nfs/dbraw/zinc/55/16/68/570551668.db2.gz FKOCXLHKBRDZRL-HNNXBMFYSA-N 0 0 390.365 3.309 50 0 GGAARN CCOCCC(=O)Nc1nnc([C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)s1 ZINC000009224845 570552507 /nfs/dbraw/zinc/55/25/07/570552507.db2.gz LKVZHMQSTRTAKP-CQSZACIVSA-N 0 0 388.493 3.041 50 0 GGAARN O=C(Cn1c(=O)oc2ccccc21)N(CCc1ccccc1)Cc1ccccn1 ZINC000061974294 570552714 /nfs/dbraw/zinc/55/27/14/570552714.db2.gz HRPJDZUTXQRHTF-UHFFFAOYSA-N 0 0 387.439 3.261 50 0 GGAARN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000009227809 570552828 /nfs/dbraw/zinc/55/28/28/570552828.db2.gz BLPYVLPZDULPJQ-CQSZACIVSA-N 0 0 399.878 3.470 50 0 GGAARN O=C(NC1CC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000009234396 570553208 /nfs/dbraw/zinc/55/32/08/570553208.db2.gz QKLUCWIWBLHCPS-CYBMUJFWSA-N 0 0 397.862 3.224 50 0 GGAARN CN(C)c1ccc(-n2cccc2/C=c2\sc3nc4ccccc4n3c2=O)cc1 ZINC000009243511 570553650 /nfs/dbraw/zinc/55/36/50/570553650.db2.gz ADBGMYOTOISHBR-ZHZULCJRSA-N 0 0 386.480 3.314 50 0 GGAARN Cc1cc(O[C@H](C)C(=O)NCc2ccccn2)c2c3c(c(=O)oc2c1)CCC3 ZINC000005324990 570553795 /nfs/dbraw/zinc/55/37/95/570553795.db2.gz ZORORYHIBRUTTR-CQSZACIVSA-N 0 0 378.428 3.069 50 0 GGAARN Cn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccc(F)cc1 ZINC000009303930 570554423 /nfs/dbraw/zinc/55/44/23/570554423.db2.gz MMEZCCSRLZYFMA-UHFFFAOYSA-N 0 0 382.464 3.298 50 0 GGAARN CCn1c(S[C@H](C)C(=O)Nc2ccc(OC)cc2)nnc1-c1cccnc1 ZINC000009304351 570554553 /nfs/dbraw/zinc/55/45/53/570554553.db2.gz WDQMUKPZOMSNIQ-CYBMUJFWSA-N 0 0 383.477 3.488 50 0 GGAARN CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000006728311 570554853 /nfs/dbraw/zinc/55/48/53/570554853.db2.gz AIXCMUNOUXBXJD-UHFFFAOYSA-N 0 0 390.505 3.067 50 0 GGAARN COc1ccc2[nH]cc(/C=C3/CC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2c1 ZINC000062001829 570555165 /nfs/dbraw/zinc/55/51/65/570555165.db2.gz SMNCCSJCTMNYNP-SDQBBNPISA-N 0 0 376.368 3.252 50 0 biogenic GGAARN COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2F)CC1 ZINC000009341380 570555505 /nfs/dbraw/zinc/55/55/05/570555505.db2.gz QRMYIPOGHGRQKD-UHFFFAOYSA-N 0 0 384.407 3.103 50 0 GGAARN COc1ccc(C(=O)N2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1OC ZINC000062007412 570555787 /nfs/dbraw/zinc/55/57/87/570555787.db2.gz CIKBXMGYVOGOLJ-UHFFFAOYSA-N 0 0 392.459 3.056 50 0 GGAARN Cc1nccn1-c1cc(NCCNC(=O)Nc2ccc(C)cc2Cl)ncn1 ZINC000035598130 570555866 /nfs/dbraw/zinc/55/58/66/570555866.db2.gz HPVKFZCQOUYUJA-UHFFFAOYSA-N 0 0 385.859 3.166 50 0 GGAARN Cc1c(C)n(CCCO)c2ncn3nc(COc4ccc(Cl)cc4)nc3c12 ZINC000009341819 570555966 /nfs/dbraw/zinc/55/59/66/570555966.db2.gz HVQNGLWNRCTUJR-UHFFFAOYSA-N 0 0 385.855 3.311 50 0 GGAARN COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OC)cc1 ZINC000005339804 570556678 /nfs/dbraw/zinc/55/66/78/570556678.db2.gz MJGQPEKACMITLZ-OAQYLSRUSA-N 0 0 393.443 3.373 50 0 GGAARN COc1ccc2c(c1)CCN(C(=O)c1coc(NC(=O)c3cccs3)n1)C2 ZINC000062023057 570557289 /nfs/dbraw/zinc/55/72/89/570557289.db2.gz JORWIHBDAUNAHV-UHFFFAOYSA-N 0 0 383.429 3.196 50 0 GGAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2cccc(O)c2)N(CCCO)C3=O)c1 ZINC000005342288 570557821 /nfs/dbraw/zinc/55/78/21/570557821.db2.gz BOCOEFZBCIYTDF-FQEVSTJZSA-N 0 0 393.443 3.032 50 0 GGAARN CCCCN1C[C@@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1=O ZINC000009426643 570557847 /nfs/dbraw/zinc/55/78/47/570557847.db2.gz UMOWGDICPOGJCO-INIZCTEOSA-N 0 0 385.508 3.336 50 0 GGAARN CCc1c(C)nc2n(c1=O)[C@@H](c1cccnc1)N=C(Nc1ccc(F)cc1)N2 ZINC000009423729 570557957 /nfs/dbraw/zinc/55/79/57/570557957.db2.gz KZNFCOLBJMJJNO-KRWDZBQOSA-N 0 0 378.411 3.089 50 0 GGAARN CC(C)Cn1c(SCC(=O)Nc2ccccc2O)nnc1-c1ccncc1 ZINC000009426923 570558014 /nfs/dbraw/zinc/55/80/14/570558014.db2.gz JMBYWHSMHAWRHC-UHFFFAOYSA-N 0 0 383.477 3.433 50 0 GGAARN CCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccnc1 ZINC000009426903 570558088 /nfs/dbraw/zinc/55/80/88/570558088.db2.gz TXVYCPXFQKEVKV-GFCCVEGCSA-N 0 0 397.460 3.208 50 0 GGAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2ccccc2F)N(CCO)C3=O)c1 ZINC000005342844 570558326 /nfs/dbraw/zinc/55/83/26/570558326.db2.gz FSAWCBPOBVYHBL-IBGZPJMESA-N 0 0 381.407 3.076 50 0 GGAARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)NCc1ccncc1 ZINC000005323469 570558988 /nfs/dbraw/zinc/55/89/88/570558988.db2.gz RHBIJDHZGAULES-UHFFFAOYSA-N 0 0 384.819 3.025 50 0 GGAARN COc1ccc(-c2cc(=O)[nH]c(Nc3nc(C)c4cc(OC)ccc4n3)n2)cc1 ZINC000009484348 570558990 /nfs/dbraw/zinc/55/89/90/570558990.db2.gz QMJLYYHLYVPKKL-UHFFFAOYSA-N 0 0 389.415 3.449 50 0 GGAARN COCCCn1c(C(=O)Nc2cccc(F)c2)cc2c1nc1ccccn1c2=O ZINC000005323140 570559092 /nfs/dbraw/zinc/55/90/92/570559092.db2.gz KERKHTHWBXYYSR-UHFFFAOYSA-N 0 0 394.406 3.077 50 0 GGAARN COc1cc(OC)c(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1Cl ZINC000005351885 570559552 /nfs/dbraw/zinc/55/95/52/570559552.db2.gz XBZWYPHYZFFHDE-UHFFFAOYSA-N 0 0 389.791 3.481 50 0 GGAARN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN1C(=O)c2ccccc2C1=O ZINC000036040045 570559629 /nfs/dbraw/zinc/55/96/29/570559629.db2.gz ZBCKKSQEEBLGDU-INIZCTEOSA-N 0 0 380.444 3.419 50 0 GGAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)N1CCOCC1)CC2 ZINC000005352635 570559760 /nfs/dbraw/zinc/55/97/60/570559760.db2.gz YINPVEIRJIOHNY-OAQYLSRUSA-N 0 0 382.460 3.104 50 0 GGAARN CCOc1ccc2nc(NC(=O)CN3CCC[C@H](c4cc[nH]n4)C3)sc2c1 ZINC000193583011 570559934 /nfs/dbraw/zinc/55/99/34/570559934.db2.gz MMIVWMFRPJXXSH-ZDUSSCGKSA-N 0 0 385.493 3.236 50 0 GGAARN C[C@H]1c2cc3c(cc2CCN1S(=O)(=O)c1ccc(Cl)nc1)OCCCO3 ZINC000005355094 570560143 /nfs/dbraw/zinc/56/01/43/570560143.db2.gz MUZVFESPIHTIQI-LBPRGKRZSA-N 0 0 394.880 3.204 50 0 GGAARN COc1ccc(C)cc1NC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000009661365 570560327 /nfs/dbraw/zinc/56/03/27/570560327.db2.gz BDUIZVBBFXXQJU-UHFFFAOYSA-N 0 0 388.427 3.245 50 0 GGAARN CCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccccc2OC)c1 ZINC000009661446 570560336 /nfs/dbraw/zinc/56/03/36/570560336.db2.gz JRPTWUZQZFEWEO-UHFFFAOYSA-N 0 0 388.427 3.420 50 0 GGAARN Cc1c(C)c(=O)oc2cc(OCC(=O)Nc3ccc4c(c3)OCCO4)ccc12 ZINC000005345609 570560587 /nfs/dbraw/zinc/56/05/87/570560587.db2.gz UBIUTBYQVVWXBJ-UHFFFAOYSA-N 0 0 381.384 3.199 50 0 GGAARN COc1ccc2c(C)c(CC(=O)NCCc3cccc(F)c3)c(=O)oc2c1OC ZINC000005345561 570560607 /nfs/dbraw/zinc/56/06/07/570560607.db2.gz YTWAZEYOGIOUIS-UHFFFAOYSA-N 0 0 399.418 3.159 50 0 GGAARN COc1ccc(CN2CN(c3ccccc3)c3nc(C)c(C)c(=O)n3C2)cc1 ZINC000036125621 570560759 /nfs/dbraw/zinc/56/07/59/570560759.db2.gz KNFFLDPAKUSZKZ-UHFFFAOYSA-N 0 0 376.460 3.438 50 0 GGAARN O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000005345139 570560780 /nfs/dbraw/zinc/56/07/80/570560780.db2.gz LBZCJYSCDXBPNI-FDIDWWNZSA-N 0 0 397.456 3.465 50 0 biogenic GGAARN O=C(COc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000009668495 570560867 /nfs/dbraw/zinc/56/08/67/570560867.db2.gz CIBRVNANXOYFIN-UHFFFAOYSA-N 0 0 396.443 3.495 50 0 GGAARN COc1cccc2[nH]c(C(=O)Nc3ccc(N4CCN(C(C)=O)CC4)cc3)cc21 ZINC000005346560 570561435 /nfs/dbraw/zinc/56/14/35/570561435.db2.gz WRCUKMJGOQLMAI-UHFFFAOYSA-N 0 0 392.459 3.097 50 0 GGAARN Cc1c(CC(=O)NCc2c(F)cccc2Cl)c(=O)oc2cc(O)cc(O)c12 ZINC000005346659 570561678 /nfs/dbraw/zinc/56/16/78/570561678.db2.gz UQTHFTZZRLOMAB-UHFFFAOYSA-N 0 0 391.782 3.164 50 0 GGAARN Cc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)c2c(C)cc(=O)oc2c1 ZINC000005349046 570562955 /nfs/dbraw/zinc/56/29/55/570562955.db2.gz PAMZOIIPEJTJME-UHFFFAOYSA-N 0 0 381.384 3.199 50 0 GGAARN Cc1ccc2c(C)nc(Nc3nc(CSc4ncccn4)cc(=O)[nH]3)nc2c1 ZINC000009939078 570563146 /nfs/dbraw/zinc/56/31/46/570563146.db2.gz JMHTWIIWYRIERV-UHFFFAOYSA-N 0 0 391.460 3.156 50 0 GGAARN COc1ccc(Cn2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)cc1 ZINC000036354941 570563466 /nfs/dbraw/zinc/56/34/66/570563466.db2.gz ITGURXZXGAKKPS-UHFFFAOYSA-N 0 0 383.411 3.163 50 0 GGAARN CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(O)c1 ZINC000006744980 570564045 /nfs/dbraw/zinc/56/40/45/570564045.db2.gz WCMHZXFDKUFBTE-OAQYLSRUSA-N 0 0 393.443 3.460 50 0 GGAARN COc1ccc(-c2nnsc2C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000036367352 570564083 /nfs/dbraw/zinc/56/40/83/570564083.db2.gz VJGTVEPTPKMJFG-QGZVFWFLSA-N 0 0 381.457 3.427 50 0 GGAARN Cc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2ccccc2)s1 ZINC000036365274 570564111 /nfs/dbraw/zinc/56/41/11/570564111.db2.gz XYHLLTOHLDFXSH-IAGOWNOFSA-N 0 0 378.457 3.396 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(NC(C)=O)cc1 ZINC000005367494 570564967 /nfs/dbraw/zinc/56/49/67/570564967.db2.gz XIHCRFWYBWSYEZ-UHFFFAOYSA-N 0 0 376.796 3.103 50 0 GGAARN CCOc1ccc(C(=O)NC(=S)Nc2sc(C)c(CC)c2C(N)=O)cc1 ZINC000010149900 570566093 /nfs/dbraw/zinc/56/60/93/570566093.db2.gz WUXRULBJYRLGIL-UHFFFAOYSA-N 0 0 391.518 3.243 50 0 GGAARN O=C(Nc1ccccc1)c1nc(S(=O)(=O)Cc2ccccc2)ncc1Cl ZINC000006748075 570566330 /nfs/dbraw/zinc/56/63/30/570566330.db2.gz MVJDDCPFXPWDSQ-UHFFFAOYSA-N 0 0 387.848 3.356 50 0 GGAARN CCOc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Cl ZINC000036636407 570566950 /nfs/dbraw/zinc/56/69/50/570566950.db2.gz DYMXCDYZVFYOFH-UHFFFAOYSA-N 0 0 394.924 3.245 50 0 GGAARN CC(=O)c1ccc(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)cc1 ZINC000004325942 570566990 /nfs/dbraw/zinc/56/69/90/570566990.db2.gz BFCZAFAGMHNBSH-UHFFFAOYSA-N 0 0 380.375 3.071 50 0 GGAARN CC(=O)c1ccc(NC(=O)c2cccn(OCc3ccccc3F)c2=O)cc1 ZINC000004326119 570567130 /nfs/dbraw/zinc/56/71/30/570567130.db2.gz HLVZEMAJCQWFIV-UHFFFAOYSA-N 0 0 380.375 3.071 50 0 GGAARN Cc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c(=O)c3Nc3nnnn32)cc1 ZINC000010232679 570567144 /nfs/dbraw/zinc/56/71/44/570567144.db2.gz QSAHFXUXDFGBCR-QGZVFWFLSA-N 0 0 391.822 3.492 50 0 GGAARN O=c1[nH]nc(-c2ccc(Cl)cc2)c2c1Nc1nnnn1[C@@H]2c1cccs1 ZINC000010232725 570567158 /nfs/dbraw/zinc/56/71/58/570567158.db2.gz IIAPDFKCDLVPLL-CQSZACIVSA-N 0 0 383.824 3.245 50 0 GGAARN O=C(Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O)NC1CCCCC1 ZINC000010232891 570567203 /nfs/dbraw/zinc/56/72/03/570567203.db2.gz KENDHLJLTZCBEA-UHFFFAOYSA-N 0 0 384.867 3.265 50 0 GGAARN COc1ccc(-n2nnc(-c3nc(-c4ccc(F)cc4)no3)c2N)cc1Cl ZINC000010273076 570567257 /nfs/dbraw/zinc/56/72/57/570567257.db2.gz URJZQOLFZCFBHI-UHFFFAOYSA-N 0 0 386.774 3.368 50 0 GGAARN CC(C)COc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 ZINC000010279174 570567446 /nfs/dbraw/zinc/56/74/46/570567446.db2.gz MZLJRMZYDNXDBU-UHFFFAOYSA-N 0 0 382.460 3.446 50 0 GGAARN c1sc2ncn3c(SCCN4CCOCC4)nnc3c2c1-c1ccccc1 ZINC000036646127 570567668 /nfs/dbraw/zinc/56/76/68/570567668.db2.gz RXOUPDXHCDONHA-UHFFFAOYSA-N 0 0 397.529 3.430 50 0 GGAARN Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)ncn3)CC2)c1C ZINC000036708268 570567785 /nfs/dbraw/zinc/56/77/85/570567785.db2.gz TZEFPDOACQFBLP-UHFFFAOYSA-N 0 0 394.523 3.438 50 0 GGAARN CCc1ccc([C@@H]2c3c(-c4cccs4)n[nH]c(=O)c3Nc3nnnn32)cc1 ZINC000010297704 570567910 /nfs/dbraw/zinc/56/79/10/570567910.db2.gz WNXHKMBKEMPKPA-MRXNPFEDSA-N 0 0 377.433 3.154 50 0 GGAARN COc1ccc(Cc2nnc3sc(COc4ccccc4)nn23)cc1OC ZINC000010311798 570568072 /nfs/dbraw/zinc/56/80/72/570568072.db2.gz DWHMSMKZBSIXGL-UHFFFAOYSA-N 0 0 382.445 3.373 50 0 GGAARN CCCn1c(SCC(N)=O)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000004326237 570568993 /nfs/dbraw/zinc/56/89/93/570568993.db2.gz CTMFWSUTSOKYKE-UHFFFAOYSA-N 0 0 383.517 3.266 50 0 GGAARN CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1ccc(F)cc1 ZINC000040288374 570569051 /nfs/dbraw/zinc/56/90/51/570569051.db2.gz AJGSEPFFIMDDTG-NRFANRHFSA-N 0 0 381.407 3.152 50 0 GGAARN CCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCOC)c1 ZINC000006752826 570571555 /nfs/dbraw/zinc/57/15/55/570571555.db2.gz LEDOCQMCCPNGIY-NRFANRHFSA-N 0 0 393.443 3.373 50 0 GGAARN CC1(C)C[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc2O1 ZINC000010544166 570571707 /nfs/dbraw/zinc/57/17/07/570571707.db2.gz JUNMYDBFIOKWDZ-HNNXBMFYSA-N 0 0 375.446 3.039 50 0 GGAARN CCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)c1 ZINC000006752904 570571876 /nfs/dbraw/zinc/57/18/76/570571876.db2.gz GZDNADGCMRPNMB-NRFANRHFSA-N 0 0 393.443 3.109 50 0 GGAARN COCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccccc1F ZINC000006753225 570572504 /nfs/dbraw/zinc/57/25/04/570572504.db2.gz PWVQNSQQKLVFIE-HXUWFJFHSA-N 0 0 381.407 3.421 50 0 GGAARN Cc1ccc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)cc1 ZINC000004328016 570572553 /nfs/dbraw/zinc/57/25/53/570572553.db2.gz XRNFHYZROSWZLE-UHFFFAOYSA-N 0 0 376.445 3.226 50 0 GGAARN CCCC(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000006755314 570572753 /nfs/dbraw/zinc/57/27/53/570572753.db2.gz XSKFLXPYLYWSFD-MRXNPFEDSA-N 0 0 379.453 3.402 50 0 GGAARN CCCC(=O)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000006755316 570572811 /nfs/dbraw/zinc/57/28/11/570572811.db2.gz XSKFLXPYLYWSFD-INIZCTEOSA-N 0 0 379.453 3.402 50 0 GGAARN COc1cc(-c2nc(CCNC(=O)c3ccco3)cs2)cc(OC)c1OC ZINC000006755943 570573160 /nfs/dbraw/zinc/57/31/60/570573160.db2.gz YPFODTVHYSSGCM-UHFFFAOYSA-N 0 0 388.445 3.401 50 0 GGAARN CCOc1cccc(C(=O)CN2C(=O)c3ccccc3O[C@H](C(C)C)C2=O)c1 ZINC000006756577 570573595 /nfs/dbraw/zinc/57/35/95/570573595.db2.gz CCDDBQMIMWYNMH-HXUWFJFHSA-N 0 0 381.428 3.354 50 0 GGAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(N)cc(=O)[nH]2)c2ccccc2)c1 ZINC000010861769 570573882 /nfs/dbraw/zinc/57/38/82/570573882.db2.gz YTNBVPZIYKHDCP-GOSISDBHSA-N 0 0 394.456 3.027 50 0 GGAARN Cc1cccc(OCc2occc2C(=O)Nc2cccc(-n3cnnn3)c2)c1 ZINC000006759894 570574751 /nfs/dbraw/zinc/57/47/51/570574751.db2.gz QNEGNRFUTWAPNJ-UHFFFAOYSA-N 0 0 375.388 3.395 50 0 GGAARN Cc1c2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2ccc1Cl ZINC000004331140 570575191 /nfs/dbraw/zinc/57/51/91/570575191.db2.gz HOVOPPRTRYXVND-UHFFFAOYSA-N 0 0 385.832 3.493 50 0 GGAARN Cc1ccc(Cl)c2sc(NC(=O)CN3C(=O)c4ccccc4C3=O)nc21 ZINC000004331148 570575251 /nfs/dbraw/zinc/57/52/51/570575251.db2.gz SAUPCRXZHJDOAJ-UHFFFAOYSA-N 0 0 385.832 3.493 50 0 GGAARN Cc1ccc(NC(=O)Cn2c3ccccc3n3c(nnc3C(C)C)c2=O)cc1 ZINC000064871658 570575462 /nfs/dbraw/zinc/57/54/62/570575462.db2.gz VDBKSYSQBLZZLS-UHFFFAOYSA-N 0 0 375.432 3.115 50 0 GGAARN COc1cc(OC)c2c(C)c(CC(=O)NCCc3ccsc3)c(=O)oc2c1 ZINC000006764504 570575916 /nfs/dbraw/zinc/57/59/16/570575916.db2.gz BKTOQTINBYEFMM-UHFFFAOYSA-N 0 0 387.457 3.082 50 0 GGAARN CC(=O)Oc1ccc2c(C)c(CC(=O)NCCc3ccccc3F)c(=O)oc2c1 ZINC000006764422 570575981 /nfs/dbraw/zinc/57/59/81/570575981.db2.gz CNODEXITJJJQLL-UHFFFAOYSA-N 0 0 397.402 3.067 50 0 GGAARN O=C(Nc1nonc1-c1ccccc1)c1nn(-c2ccc(Cl)cc2)ccc1=O ZINC000006764602 570576036 /nfs/dbraw/zinc/57/60/36/570576036.db2.gz SQLQYESOMGRRIK-UHFFFAOYSA-N 0 0 393.790 3.188 50 0 GGAARN CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 ZINC000011565870 570576517 /nfs/dbraw/zinc/57/65/17/570576517.db2.gz SOPSEFUVBSFKKJ-UHFFFAOYSA-N 0 0 396.553 3.049 50 0 GGAARN CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)c2cc(CC)nn2C)C1 ZINC000011661232 570576899 /nfs/dbraw/zinc/57/68/99/570576899.db2.gz SHHSGJYBLAWQRE-HSZRJFAPSA-N 0 0 397.519 3.319 50 0 GGAARN Cc1csc(CN(C)C(=O)[C@@H]2CCC(=O)N(CCCc3ccccc3)C2)n1 ZINC000011663139 570577860 /nfs/dbraw/zinc/57/78/60/570577860.db2.gz 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ZINC000048376273 570657765 /nfs/dbraw/zinc/65/77/65/570657765.db2.gz HOKCFEOTIHKTLJ-UHFFFAOYSA-N 0 0 394.385 3.356 50 0 GGAARN Cc1oc2cc3oc(=O)c(CCC(=O)NCCc4c[nH]cn4)c(C)c3cc2c1C ZINC000013570446 570657893 /nfs/dbraw/zinc/65/78/93/570657893.db2.gz FFMAMKNKMHLKKH-UHFFFAOYSA-N 0 0 393.443 3.479 50 0 biogenic GGAARN CCc1cc(=O)n(CC(=O)Nc2ccc(N(C)C)cc2)c(-c2cccc(F)c2)n1 ZINC000169752742 570658165 /nfs/dbraw/zinc/65/81/65/570658165.db2.gz QSQIDMQVIOJKOQ-UHFFFAOYSA-N 0 0 394.450 3.317 50 0 GGAARN COc1ccccc1CNC(=O)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000012429226 570658191 /nfs/dbraw/zinc/65/81/91/570658191.db2.gz BFFTWVXDGFWRPV-HXUWFJFHSA-N 0 0 380.488 3.183 50 0 GGAARN O=C(NC[C@@H]1CCCN(c2ncccn2)C1)Nc1nc(-c2ccccc2)ns1 ZINC000048428238 570658244 /nfs/dbraw/zinc/65/82/44/570658244.db2.gz LTXNIZCVEQOMIO-AWEZNQCLSA-N 0 0 395.492 3.033 50 0 GGAARN Cc1ccc(Cn2nccc2NC(=O)Cn2ccc(-c3ccccc3F)n2)o1 ZINC000048416432 570658252 /nfs/dbraw/zinc/65/82/52/570658252.db2.gz OFWPWXXMSNEBQO-UHFFFAOYSA-N 0 0 379.395 3.474 50 0 GGAARN CNC(=O)c1c2c(sc1NC(=O)c1ccc(C(=O)OC)cc1)C[C@@H](C)CC2 ZINC000005055583 570658546 /nfs/dbraw/zinc/65/85/46/570658546.db2.gz OWVTXSJJVAVXSU-NSHDSACASA-N 0 0 386.473 3.271 50 0 GGAARN Cc1cnc(C)c(-c2cnn(CC(=O)Nc3ccnn3C3CCCCC3)c2)n1 ZINC000048488602 570658857 /nfs/dbraw/zinc/65/88/57/570658857.db2.gz CXGANWRRASQFGI-UHFFFAOYSA-N 0 0 379.468 3.297 50 0 GGAARN Cc1ccccc1COC(=O)C1=CN(Cc2ccccc2)S(=O)(=O)N=C1C ZINC000169755149 570658902 /nfs/dbraw/zinc/65/89/02/570658902.db2.gz GBIUZBYPFXGKFH-UHFFFAOYSA-N 0 0 384.457 3.144 50 0 GGAARN CCOC(=O)CCNC(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012430943 570658989 /nfs/dbraw/zinc/65/89/89/570658989.db2.gz LRJRYRQWYCVFAW-KRWDZBQOSA-N 0 0 390.480 3.031 50 0 GGAARN CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000005575998 570659432 /nfs/dbraw/zinc/65/94/32/570659432.db2.gz UEYJXYYLXYLBQM-GOSISDBHSA-N 0 0 395.411 3.384 50 0 biogenic GGAARN COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4ccccc4C)C3)n[nH]2)cc1 ZINC000169753969 570660101 /nfs/dbraw/zinc/66/01/01/570660101.db2.gz IGSLJWKCIJQKOC-QGZVFWFLSA-N 0 0 376.460 3.402 50 0 GGAARN CCOc1ccccc1C(=O)N[C@@H]1CCN(c2cc(-c3ccccc3)[nH]n2)C1 ZINC000169753871 570660105 /nfs/dbraw/zinc/66/01/05/570660105.db2.gz RAZKDRIDJQTXJQ-QGZVFWFLSA-N 0 0 376.460 3.484 50 0 GGAARN O=C(NC[C@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1)c1cccnc1 ZINC000012431841 570660339 /nfs/dbraw/zinc/66/03/39/570660339.db2.gz DLKLQGGRIWGYNF-CQSZACIVSA-N 0 0 387.867 3.106 50 0 GGAARN COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4cccc(C)c4)C3)n[nH]2)cc1 ZINC000169753999 570660494 /nfs/dbraw/zinc/66/04/94/570660494.db2.gz HCYWHRRGKXPCJT-GOSISDBHSA-N 0 0 376.460 3.402 50 0 GGAARN COc1cccc(C(=O)N[C@@H]2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1 ZINC000169754091 570660497 /nfs/dbraw/zinc/66/04/97/570660497.db2.gz YTLJBYUYTOHARS-QGZVFWFLSA-N 0 0 380.423 3.233 50 0 GGAARN CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C(=O)CCn2nccc2C)C1 ZINC000012432808 570660647 /nfs/dbraw/zinc/66/06/47/570660647.db2.gz OXOJDSXZBXJFKG-HSZRJFAPSA-N 0 0 397.519 3.305 50 0 GGAARN COc1cccc(C(=O)N[C@H]2CCN(c3cc(-c4cccs4)[nH]n3)C2)c1OC ZINC000169754246 570660984 /nfs/dbraw/zinc/66/09/84/570660984.db2.gz QJEOCYLAAYCPOI-ZDUSSCGKSA-N 0 0 398.488 3.164 50 0 GGAARN CCOC(=O)c1c(C)[nH]c(C(=O)C(=O)NCc2ccccn2)c1-c1ccccc1 ZINC000005266567 570661087 /nfs/dbraw/zinc/66/10/87/570661087.db2.gz LTUDWXBAFFYTOK-UHFFFAOYSA-N 0 0 391.427 3.061 50 0 GGAARN CC(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)[nH]n1 ZINC000012433753 570661165 /nfs/dbraw/zinc/66/11/65/570661165.db2.gz OSDISCYSNZYIMZ-CYBMUJFWSA-N 0 0 393.365 3.366 50 0 GGAARN Cc1nc2ccccc2n1Cc1cc(C(=O)N(C)CCOc2ccccc2)[nH]n1 ZINC000012433817 570661189 /nfs/dbraw/zinc/66/11/89/570661189.db2.gz MXFFHAZHRDAPIE-UHFFFAOYSA-N 0 0 389.459 3.267 50 0 GGAARN CN(C)c1ccc(-c2noc(-c3nc(-c4ccc5c(c4)OCO5)no3)n2)cc1 ZINC000169759363 570661355 /nfs/dbraw/zinc/66/13/55/570661355.db2.gz FDBHQZDTDNQJTN-UHFFFAOYSA-N 0 0 377.360 3.248 50 0 GGAARN COc1ccc(N2C[C@H](c3noc(-c4ccc(OC)c(F)c4)n3)CC2=O)cc1 ZINC000169759509 570661902 /nfs/dbraw/zinc/66/19/02/570661902.db2.gz KSJOGZCANPMZDA-CYBMUJFWSA-N 0 0 383.379 3.413 50 0 GGAARN CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)Cc2cccnc2)CC1 ZINC000012436051 570662176 /nfs/dbraw/zinc/66/21/76/570662176.db2.gz PVVVUGWKIRKDHH-UHFFFAOYSA-N 0 0 396.487 3.047 50 0 GGAARN O=C(NCCc1ccc(O)cc1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000012406493 570662277 /nfs/dbraw/zinc/66/22/77/570662277.db2.gz XEDGFJKGSCFLRD-GOSISDBHSA-N 0 0 391.471 3.085 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(-c4nc(-c5cccc(F)c5)no4)c3CO2)cc1 ZINC000169758343 570662353 /nfs/dbraw/zinc/66/23/53/570662353.db2.gz VYXJSGXRZQTBBV-KRWDZBQOSA-N 0 0 393.378 3.414 50 0 GGAARN CSc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCOCC2)cc1 ZINC000012436915 570662601 /nfs/dbraw/zinc/66/26/01/570662601.db2.gz QZZPDFNABXVVKL-XDJHFCHBSA-N 0 0 382.485 3.038 50 0 GGAARN CC(C)c1ccc(NC(=O)Cn2ccn3nc4c(c3c2=O)C[C@H](C)CC4)cc1 ZINC000169760111 570662685 /nfs/dbraw/zinc/66/26/85/570662685.db2.gz UBMBDUWVNVNFTC-OAHLLOKOSA-N 0 0 378.476 3.383 50 0 GGAARN O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1cn(CC2CCCCC2)nn1 ZINC000012438647 570662951 /nfs/dbraw/zinc/66/29/51/570662951.db2.gz UETYGDLBEAIPRD-IBGZPJMESA-N 0 0 378.480 3.226 50 0 GGAARN O=C(CCN1CCCO1)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000012438873 570663135 /nfs/dbraw/zinc/66/31/35/570663135.db2.gz NWMBUBGKZIDVSR-JOCHJYFZSA-N 0 0 394.515 3.463 50 0 GGAARN COc1cc(OC)c(NC(=O)c2c(OC)cc(=O)n3c2CCCC3)cc1Cl ZINC000169760416 570663184 /nfs/dbraw/zinc/66/31/84/570663184.db2.gz QJUSDKPJQFRTIF-UHFFFAOYSA-N 0 0 392.839 3.116 50 0 GGAARN O=C(NCC1CCCCC1)c1cc2n(n1)C[C@@H](c1ccc3c(c1)OCO3)OC2 ZINC000169759892 570664024 /nfs/dbraw/zinc/66/40/24/570664024.db2.gz CKHBWIGXPQUICX-FQEVSTJZSA-N 0 0 383.448 3.193 50 0 GGAARN O=C(Cn1nc(-c2ccccc2Cl)ccc1=O)N1CCc2ccccc2C1 ZINC000049546838 570664358 /nfs/dbraw/zinc/66/43/58/570664358.db2.gz NHXIZHVNXLHJGJ-UHFFFAOYSA-N 0 0 379.847 3.149 50 0 GGAARN COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(Cl)c3)n2)c(F)c1 ZINC000049551569 570664765 /nfs/dbraw/zinc/66/47/65/570664765.db2.gz YHIRNLKKZRKPSY-UHFFFAOYSA-N 0 0 387.798 3.350 50 0 GGAARN COCC[C@H]1CCCCN1C(=O)c1cc(Cn2c(C)nc3ccccc32)n[nH]1 ZINC000012442607 570664863 /nfs/dbraw/zinc/66/48/63/570664863.db2.gz MMVGJRXNDLXVAJ-QGZVFWFLSA-N 0 0 381.480 3.147 50 0 GGAARN COCC[C@@H]1CCCCN1C(=O)c1cc(Cn2c(C)nc3ccccc32)n[nH]1 ZINC000012442605 570664929 /nfs/dbraw/zinc/66/49/29/570664929.db2.gz MMVGJRXNDLXVAJ-KRWDZBQOSA-N 0 0 381.480 3.147 50 0 GGAARN O=C(CCC1CCN(C(=O)[C@@H]2CCOC2)CC1)NCc1cccc(Cl)c1 ZINC000012443154 570665149 /nfs/dbraw/zinc/66/51/49/570665149.db2.gz YIKIKVVCAQPHLY-QGZVFWFLSA-N 0 0 378.900 3.012 50 0 GGAARN O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)NC[C@@H]1CC12CCCCC2 ZINC000012442286 570665165 /nfs/dbraw/zinc/66/51/65/570665165.db2.gz UTHUXFKBMRYUKK-HNNXBMFYSA-N 0 0 383.448 3.485 50 0 GGAARN Cc1ccn(CCC(=O)N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2F)n1 ZINC000012443344 570665369 /nfs/dbraw/zinc/66/53/69/570665369.db2.gz IXMFFWATPQGETK-KRWDZBQOSA-N 0 0 385.418 3.239 50 0 GGAARN Cc1ccn(CCC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2F)n1 ZINC000012443342 570665732 /nfs/dbraw/zinc/66/57/32/570665732.db2.gz IXMFFWATPQGETK-QGZVFWFLSA-N 0 0 385.418 3.239 50 0 GGAARN CN(Cc1ccno1)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1 ZINC000012445908 570665975 /nfs/dbraw/zinc/66/59/75/570665975.db2.gz GGEXLUHYGNJRPF-UHFFFAOYSA-N 0 0 380.326 3.268 50 0 GGAARN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2nccn2CC)C1 ZINC000012446404 570666913 /nfs/dbraw/zinc/66/69/13/570666913.db2.gz QRLBNTRWGGBHSH-JOCHJYFZSA-N 0 0 385.508 3.300 50 0 GGAARN Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCN(c2ccc(C)cc2)[C@H](C)C1 ZINC000229907883 570667253 /nfs/dbraw/zinc/66/72/53/570667253.db2.gz NUAHLZDRZRTRFL-CYBMUJFWSA-N 0 0 398.479 3.103 50 0 GGAARN O=C(CC[C@@]1(Cc2ccco2)CCC(=O)N1)N1CC[C@H](c2ccccc2F)C1 ZINC000012450465 570668113 /nfs/dbraw/zinc/66/81/13/570668113.db2.gz OMLNPUBLQPILQR-KSFYIVLOSA-N 0 0 384.451 3.406 50 0 GGAARN CSc1nc(C(=O)N2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)cs1 ZINC000012449452 570668231 /nfs/dbraw/zinc/66/82/31/570668231.db2.gz BSIPPPPAEIRALJ-CYBMUJFWSA-N 0 0 391.518 3.353 50 0 GGAARN CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2c(C)noc2C)C1 ZINC000012454064 570668599 /nfs/dbraw/zinc/66/85/99/570668599.db2.gz MYATUSUXHBEGMA-OAQYLSRUSA-N 0 0 388.439 3.459 50 0 GGAARN CCOC(=O)[C@]1(CCc2ccccc2)CCCN(C(=O)CCc2cnccn2)C1 ZINC000012455154 570669089 /nfs/dbraw/zinc/66/90/89/570669089.db2.gz UXYMJWIAQRJPET-QHCPKHFHSA-N 0 0 395.503 3.214 50 0 GGAARN O=C(Cn1cnc2c3cccnc3sc2c1=O)Nc1ccc(F)cc1Cl ZINC000012415252 570669419 /nfs/dbraw/zinc/66/94/19/570669419.db2.gz ZUYDZLVUBQCAPI-UHFFFAOYSA-N 0 0 388.811 3.437 50 0 GGAARN O=C(CSc1ccc(NC(=O)C2CC2)nn1)Nc1nc2ccccc2s1 ZINC000013701956 570670070 /nfs/dbraw/zinc/67/00/70/570670070.db2.gz PLUORGLIYUVZGV-UHFFFAOYSA-N 0 0 385.474 3.166 50 0 GGAARN COc1cccc(CN2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)c1 ZINC000012458702 570670078 /nfs/dbraw/zinc/67/00/78/570670078.db2.gz LZLFLXLELONWSD-OAQYLSRUSA-N 0 0 376.460 3.484 50 0 GGAARN COc1ccc(NC(=O)CCCn2nc(-c3cccs3)ccc2=O)cc1OC ZINC000013698563 570670175 /nfs/dbraw/zinc/67/01/75/570670175.db2.gz AZNCTYQPACXTKG-UHFFFAOYSA-N 0 0 399.472 3.408 50 0 GGAARN Cc1cccc(N2C(=O)N[C@@](NC(=O)C3CCCCC3)(C(F)(F)F)C2=O)c1C ZINC000012462892 570670753 /nfs/dbraw/zinc/67/07/53/570670753.db2.gz UODJPBOGGYUPBQ-GOSISDBHSA-N 0 0 397.397 3.315 50 0 GGAARN CCOc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(C(=O)CC)C3=O)cc1 ZINC000012418293 570670864 /nfs/dbraw/zinc/67/08/64/570670864.db2.gz WEBWUCPTTDHLCO-OAQYLSRUSA-N 0 0 396.468 3.301 50 0 GGAARN COCc1ccc(CN2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)o1 ZINC000012464138 570671202 /nfs/dbraw/zinc/67/12/02/570671202.db2.gz IVGVRZBQQYMAHM-HXUWFJFHSA-N 0 0 380.448 3.215 50 0 GGAARN CN(C)c1ccc(C(=O)N[C@H]2CCN(c3cc(-c4ccccc4)[nH]n3)C2)cc1 ZINC000169762660 570671466 /nfs/dbraw/zinc/67/14/66/570671466.db2.gz OIQBXCUNQBWHDJ-SFHVURJKSA-N 0 0 375.476 3.151 50 0 GGAARN O=C(c1cccc(F)c1)N1CCC2(CC1)NC(=O)N(c1ccccc1Cl)N2 ZINC000169764104 570671472 /nfs/dbraw/zinc/67/14/72/570671472.db2.gz UQMKCZSYDXUKGY-UHFFFAOYSA-N 0 0 388.830 3.146 50 0 GGAARN Cc1ccc(C)c(C(=O)N2CCC3(CC2)NC(=O)N(c2ccc(F)cc2)N3)c1 ZINC000169764115 570671482 /nfs/dbraw/zinc/67/14/82/570671482.db2.gz KMYMKQWNJDJDJA-UHFFFAOYSA-N 0 0 382.439 3.109 50 0 GGAARN O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000052537704 570672079 /nfs/dbraw/zinc/67/20/79/570672079.db2.gz SRPOXARBWBFKET-UHFFFAOYSA-N 0 0 379.382 3.346 50 0 GGAARN O=C(C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)NCCc1cnccn1 ZINC000012470013 570672172 /nfs/dbraw/zinc/67/21/72/570672172.db2.gz JJYUCADUGLARNB-IBGZPJMESA-N 0 0 375.428 3.086 50 0 GGAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc4nccnc4c3)C2)cc1OC ZINC000012420787 570672381 /nfs/dbraw/zinc/67/23/81/570672381.db2.gz FEIOFEKSHJAQQZ-LJQANCHMSA-N 0 0 376.416 3.345 50 0 GGAARN CCOC(=O)C[C@@H](NC(=O)c1cc(COc2ccc(F)cc2F)on1)C(C)C ZINC000012471291 570672786 /nfs/dbraw/zinc/67/27/86/570672786.db2.gz JURVXEWHRLIISH-OAHLLOKOSA-N 0 0 396.390 3.239 50 0 GGAARN COCCn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O ZINC000072324895 570673661 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CCN1CCc2c(sc(NC(=O)Nc3cccc(C(C)=O)c3)c2C(N)=O)C1 ZINC000032579206 570675412 /nfs/dbraw/zinc/67/54/12/570675412.db2.gz VXSFDXJMVIQSFP-UHFFFAOYSA-N 0 0 386.477 3.072 50 0 GGAARN CCCCNC(=O)Cc1noc(C2=Cc3ccccc3O[C@H]2C(F)(F)F)n1 ZINC000685943609 570675459 /nfs/dbraw/zinc/67/54/59/570675459.db2.gz ZWLLUZLOWBMHAJ-MRXNPFEDSA-N 0 0 381.354 3.392 50 0 GGAARN Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(F)cc3)CC2)cc1 ZINC000169770473 570675598 /nfs/dbraw/zinc/67/55/98/570675598.db2.gz PYTBDANEJAYOTE-UHFFFAOYSA-N 0 0 394.450 3.087 50 0 GGAARN COc1ccc(/C=C/C(=O)OCC(=O)N[C@H]2CCc3ccccc32)cc1OC ZINC000072330824 570675827 /nfs/dbraw/zinc/67/58/27/570675827.db2.gz RKPWTNJPCULQLR-HCWHUNCVSA-N 0 0 381.428 3.064 50 0 GGAARN Cc1ccccc1C(=O)N1CCC(c2n[nH]c(=O)n2Cc2ccc(F)cc2)CC1 ZINC000169770461 570675835 /nfs/dbraw/zinc/67/58/35/570675835.db2.gz CZMXQENSXBNVCW-UHFFFAOYSA-N 0 0 394.450 3.087 50 0 GGAARN Cc1ccccc1[C@H]1CCN(C(=O)Cn2cnc3ccccc3c2=O)CCS1 ZINC000219269894 570676143 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O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1cccc(Cl)c1 ZINC000012443183 570677395 /nfs/dbraw/zinc/67/73/95/570677395.db2.gz UPPLSRZDTQAQKV-UHFFFAOYSA-N 0 0 393.834 3.254 50 0 GGAARN Cc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1 ZINC000004338073 570677439 /nfs/dbraw/zinc/67/74/39/570677439.db2.gz HDJRWJZWECDZGG-MPGHIAIKSA-N 0 0 394.418 3.264 50 0 GGAARN CC(C)CCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000012532273 570677502 /nfs/dbraw/zinc/67/75/02/570677502.db2.gz TVLRXKXANCSNIF-UHFFFAOYSA-N 0 0 386.521 3.194 50 0 GGAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)NC[C@@H]4CCCO4)cc3)n2)cc1 ZINC000032578997 570677887 /nfs/dbraw/zinc/67/78/87/570677887.db2.gz IXPWAUUSCTZVFR-IBGZPJMESA-N 0 0 393.443 3.386 50 0 GGAARN CCC(CC)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc2c(c1)OCO2 ZINC000005642673 570678773 /nfs/dbraw/zinc/67/87/73/570678773.db2.gz WNLBIQFQNYSNFT-MRXNPFEDSA-N 0 0 375.450 3.453 50 0 GGAARN COc1ccccc1C(=O)N1CCN(c2nccn2-c2ccc(C)cc2)CC1 ZINC000012444662 570678853 /nfs/dbraw/zinc/67/88/53/570678853.db2.gz DSYQUBBPWQMJGQ-UHFFFAOYSA-N 0 0 376.460 3.152 50 0 GGAARN Cc1cc(C)c2c(=O)cc(C(=O)NCCc3nc(-c4ccccc4)no3)oc2c1 ZINC000032593741 570679479 /nfs/dbraw/zinc/67/94/79/570679479.db2.gz GKBLTYKVCCMYCW-UHFFFAOYSA-N 0 0 389.411 3.432 50 0 GGAARN Cc1cccc2c(=O)cc(C(=O)NCCc3nc(-c4ccccc4)no3)oc12 ZINC000032593912 570679559 /nfs/dbraw/zinc/67/95/59/570679559.db2.gz MKVIXIYAFFALIE-UHFFFAOYSA-N 0 0 375.384 3.124 50 0 GGAARN CCOCCN1CCN(C(=O)c2cccc(NCc3ccc(C)cc3)c2)CC1 ZINC000055036604 570679577 /nfs/dbraw/zinc/67/95/77/570679577.db2.gz DPZKEQFISALOPP-UHFFFAOYSA-N 0 0 381.520 3.401 50 0 GGAARN O=C(C1=C2C(O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccccc1 ZINC000006884939 570680151 /nfs/dbraw/zinc/68/01/51/570680151.db2.gz LNFNIZFZHGGWDR-MKXGPGLRSA-N 0 0 394.858 3.175 50 0 GGAARN Cc1cccnc1CN(Cc1ccccc1)C(=O)CSc1nnc(N)s1 ZINC000055054730 570680579 /nfs/dbraw/zinc/68/05/79/570680579.db2.gz QTEFLERVCPBOLU-UHFFFAOYSA-N 0 0 385.518 3.145 50 0 GGAARN Cc1ccc(F)c(NC(=O)CCC(=O)NCc2ccccc2-n2ccnc2)c1 ZINC000055053272 570680641 /nfs/dbraw/zinc/68/06/41/570680641.db2.gz XHWJRRGGDAZAMJ-UHFFFAOYSA-N 0 0 380.423 3.355 50 0 GGAARN COc1cccc(N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000055069330 570681564 /nfs/dbraw/zinc/68/15/64/570681564.db2.gz IXVXVGXHQIVLNP-UHFFFAOYSA-N 0 0 393.409 3.475 50 0 GGAARN CCCC[C@@H](NC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)c1cccnc1 ZINC000055073556 570681584 /nfs/dbraw/zinc/68/15/84/570681584.db2.gz YUSVIHREVWEFOM-QGZVFWFLSA-N 0 0 375.494 3.007 50 0 GGAARN CCc1cccc(OCCCN(C)C(=O)C2CCN(c3ncccn3)CC2)c1 ZINC000055074657 570681899 /nfs/dbraw/zinc/68/18/99/570681899.db2.gz OMSXGNJUBDRSRJ-UHFFFAOYSA-N 0 0 382.508 3.183 50 0 GGAARN CCCc1nc(CN(CC)C(=O)C[C@@H](C)n2nc(C)c(C(C)=O)c2C)no1 ZINC000055073752 570681953 /nfs/dbraw/zinc/68/19/53/570681953.db2.gz DKIPNATWDUVOKE-GFCCVEGCSA-N 0 0 375.473 3.038 50 0 GGAARN C[C@@H]1CCCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000239222050 570682026 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CCCn1c(C)c(CC(=O)N[C@H](C)c2nnc(C)[nH]2)c2c1CC(C)(C)CC2=O ZINC000012578534 570683458 /nfs/dbraw/zinc/68/34/58/570683458.db2.gz KGFYGSUHZYFNDM-GFCCVEGCSA-N 0 0 385.512 3.208 50 0 GGAARN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cccc(C)c3)C2)CC1 ZINC000055109242 570683573 /nfs/dbraw/zinc/68/35/73/570683573.db2.gz GTWLXPLEKNCROH-NRFANRHFSA-N 0 0 393.531 3.430 50 0 GGAARN COc1ccc(C)cc1S(=O)(=O)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000012581572 570683725 /nfs/dbraw/zinc/68/37/25/570683725.db2.gz KQGZYTSWUDUFKJ-NRFANRHFSA-N 0 0 389.517 3.010 50 0 GGAARN CCn1ncc(NC(=O)Cn2ncc3cc(-c4cc(F)ccc4F)ccc32)n1 ZINC000055131210 570683970 /nfs/dbraw/zinc/68/39/70/570683970.db2.gz XHTPKMHMLDQZOB-UHFFFAOYSA-N 0 0 382.374 3.232 50 0 GGAARN O=C(NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1)Nc1ccccc1Cl ZINC000008868145 570684315 /nfs/dbraw/zinc/68/43/15/570684315.db2.gz DXLYEZKWFUVYKZ-GFCCVEGCSA-N 0 0 389.795 3.216 50 0 GGAARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c43)C2)cc1 ZINC000169772888 570684375 /nfs/dbraw/zinc/68/43/75/570684375.db2.gz JCWVPLRZMJJKFJ-LBPRGKRZSA-N 0 0 382.395 3.092 50 0 GGAARN Cc1noc(-c2cccn3c(CNC(=O)c4ccc(C(C)(C)C)cc4)nnc23)n1 ZINC000169775981 570684645 /nfs/dbraw/zinc/68/46/45/570684645.db2.gz KVKJPOYRCXRSGT-UHFFFAOYSA-N 0 0 390.447 3.315 50 0 GGAARN COc1ccc(Cl)cc1C(=O)NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008981990 570684792 /nfs/dbraw/zinc/68/47/92/570684792.db2.gz NMRLAJTWHLGMQH-LBPRGKRZSA-N 0 0 376.815 3.271 50 0 GGAARN COc1ccccc1CC(=O)N[C@@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1 ZINC000169775356 570684824 /nfs/dbraw/zinc/68/48/24/570684824.db2.gz IJPFTRSXDVDWGN-LJQANCHMSA-N 0 0 390.487 3.413 50 0 GGAARN CC(C)CCn1c(CN(C)C[C@H]2CCCCO2)cnc1S(=O)(=O)C(C)C ZINC000055154241 570684986 /nfs/dbraw/zinc/68/49/86/570684986.db2.gz MCIMTZDDMVXQST-GOSISDBHSA-N 0 0 385.574 3.112 50 0 GGAARN Cc1cccc(CN(C)Cc2nnc(SCCOc3ccccc3)n2C)n1 ZINC000055153615 570685239 /nfs/dbraw/zinc/68/52/39/570685239.db2.gz ZRNROTBZRWWPJS-UHFFFAOYSA-N 0 0 383.521 3.322 50 0 GGAARN O=C(COc1cccc(-n2cnnc2)c1)N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000169774375 570685473 /nfs/dbraw/zinc/68/54/73/570685473.db2.gz TURVVUQNBYEPLS-FQEVSTJZSA-N 0 0 387.443 3.321 50 0 GGAARN CCc1noc(-c2cccn3c(CNC(=O)[C@H](CC)c4ccccc4)nnc23)n1 ZINC000169776223 570685487 /nfs/dbraw/zinc/68/54/87/570685487.db2.gz OTJJGEDLENGJGS-OAHLLOKOSA-N 0 0 390.447 3.152 50 0 GGAARN C[C@@H]1CCCN(c2ccc(C(N)=O)cc2NC(=O)CSc2ccncc2)C1 ZINC000055166178 570685451 /nfs/dbraw/zinc/68/54/51/570685451.db2.gz OALFZLJFSZMBOL-CQSZACIVSA-N 0 0 384.505 3.148 50 0 GGAARN CC(=O)c1ccc(OCc2cc(C(=O)N(C)C[C@@H](O)c3ccccc3)no2)cc1 ZINC000012586287 570685555 /nfs/dbraw/zinc/68/55/55/570685555.db2.gz KMXXNIOLCPBKQL-OAQYLSRUSA-N 0 0 394.427 3.262 50 0 GGAARN CCCc1noc(-c2ccn3c(c2)nnc3CNC(=O)c2ccccc2Cl)n1 ZINC000169776261 570685592 /nfs/dbraw/zinc/68/55/92/570685592.db2.gz FWTLUUOBTHLWBL-UHFFFAOYSA-N 0 0 396.838 3.315 50 0 GGAARN O=C(Nc1nc(-c2ccccc2)ns1)N1CCN(C2CCCCC2)C(=O)C1 ZINC000055182673 570686325 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Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3nccs3)n2C)c1 ZINC000002873767 570721612 /nfs/dbraw/zinc/72/16/12/570721612.db2.gz UKGZROMKPCLLST-UHFFFAOYSA-N 0 0 389.506 3.198 50 0 GGAARN CCOC(=O)C1=C(C)Nc2nc(SCC)[nH]c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000006952704 570721800 /nfs/dbraw/zinc/72/18/00/570721800.db2.gz ABEDYWSVCFBFMI-AWEZNQCLSA-N 0 0 389.452 3.416 50 0 GGAARN COc1ccc(C(=O)CSc2nnc3ccc(-c4cccnc4)nn32)cc1 ZINC000004376997 570722128 /nfs/dbraw/zinc/72/21/28/570722128.db2.gz WPBDWIQTXYGVPW-UHFFFAOYSA-N 0 0 377.429 3.170 50 0 GGAARN O=C(CSc1nnc2ccc(-c3ccc4c(c3)OCO4)nn21)c1ccccc1 ZINC000004376718 570722180 /nfs/dbraw/zinc/72/21/80/570722180.db2.gz VOBAVTYYTVPWIU-UHFFFAOYSA-N 0 0 390.424 3.495 50 0 GGAARN Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)COc3ccccc3)co2)n1 ZINC000004377307 570722907 /nfs/dbraw/zinc/72/29/07/570722907.db2.gz VLZZSFAGWBTVOB-UHFFFAOYSA-N 0 0 398.440 3.323 50 0 GGAARN Cc1ccnc(SCc2cc(=O)c(OC(=O)COc3ccccc3)co2)n1 ZINC000004377304 570722960 /nfs/dbraw/zinc/72/29/60/570722960.db2.gz 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CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccc(OC)c1 ZINC000004736504 570730058 /nfs/dbraw/zinc/73/00/58/570730058.db2.gz BMBDYAOEMRXCEE-UHFFFAOYSA-N 0 0 389.506 3.469 50 0 GGAARN Cc1nc([C@H]2C[C@@H](O)C2)cc(N2CCN(c3ccc(F)c(Cl)c3)CC2)n1 ZINC000252552051 570730105 /nfs/dbraw/zinc/73/01/05/570730105.db2.gz UMXVEZVBCBXHQO-OTVXOJSOSA-N 0 0 376.863 3.142 50 0 GGAARN COc1cncc([C@H](NC(=O)c2c(C)onc2-c2ccccc2)[C@H]2C[C@H](O)C2)c1 ZINC000253378522 570732484 /nfs/dbraw/zinc/73/24/84/570732484.db2.gz PSQBTMLRHJLFSA-WRWLIDTKSA-N 0 0 393.443 3.296 50 0 GGAARN C[C@@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000005499319 570733432 /nfs/dbraw/zinc/73/34/32/570733432.db2.gz PTGXUOFRVMMIPR-CYBMUJFWSA-N 0 0 396.472 3.254 50 0 GGAARN Cc1cc(C(=O)N[C@@H](c2cnc3ccccc3c2)[C@H]2C[C@@H](O)C2)c(=O)[nH]c1C ZINC000253534937 570733679 /nfs/dbraw/zinc/73/36/79/570733679.db2.gz XZNNVDQJHKJUMZ-OXFYSEKESA-N 0 0 377.444 3.194 50 0 GGAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000000949340 570735576 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ZINC000534670820 570920755 /nfs/dbraw/zinc/92/07/55/570920755.db2.gz BPDPAVGECRBFOV-MRXNPFEDSA-N 0 0 375.476 3.014 50 0 GGAARN CSc1ccccc1NC(=O)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000016974363 570920943 /nfs/dbraw/zinc/92/09/43/570920943.db2.gz YUGBXIGKMIKCEL-UHFFFAOYSA-N 0 0 384.501 3.212 50 0 GGAARN CCCn1cnnc1[C@H](C)NC(=O)N1CCC(Oc2ccccc2F)CC1 ZINC000534672352 570921269 /nfs/dbraw/zinc/92/12/69/570921269.db2.gz GMPPGIHGWNOFFF-AWEZNQCLSA-N 0 0 375.448 3.141 50 0 GGAARN NC(=O)c1cncc(-c2cccc(C(=O)NCCSC3CCCCC3)c2)n1 ZINC000534672987 570921345 /nfs/dbraw/zinc/92/13/45/570921345.db2.gz VYUDGFGOODURBL-UHFFFAOYSA-N 0 0 384.505 3.038 50 0 GGAARN Cc1[nH]nc(C(F)(F)F)c1-c1ccc(C(=O)N2CCc3n[nH]cc3C2)cc1 ZINC000534672556 570921354 /nfs/dbraw/zinc/92/13/54/570921354.db2.gz OHURYWZZLPPFAK-UHFFFAOYSA-N 0 0 375.354 3.326 50 0 GGAARN CCCn1cnnc1[C@@H](C)NC(=O)N1CCC(Oc2ccccc2F)CC1 ZINC000534672353 570921399 /nfs/dbraw/zinc/92/13/99/570921399.db2.gz GMPPGIHGWNOFFF-CQSZACIVSA-N 0 0 375.448 3.141 50 0 GGAARN CCn1cc(CNC(=O)N(C)Cc2cccc(-n3nc(C)cc3C)c2)c(C)n1 ZINC000534662410 570922121 /nfs/dbraw/zinc/92/21/21/570922121.db2.gz WDRTUJIHJLMGIT-UHFFFAOYSA-N 0 0 380.496 3.356 50 0 GGAARN CCn1cc(-c2ccc(C(=O)NCCc3nc4c(c(C)n3)CCC4)cc2)cn1 ZINC000534662668 570922291 /nfs/dbraw/zinc/92/22/91/570922291.db2.gz KCKSMIJMKWQPOT-UHFFFAOYSA-N 0 0 375.476 3.130 50 0 GGAARN COc1ccc(CN(C)C(=O)NCC2(Cn3ccnc3)CC2)c2cccnc12 ZINC000534663372 570922391 /nfs/dbraw/zinc/92/23/91/570922391.db2.gz XZDWKWGMECWNBB-UHFFFAOYSA-N 0 0 379.464 3.062 50 0 GGAARN CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1C ZINC000004036043 570923404 /nfs/dbraw/zinc/92/34/04/570923404.db2.gz GPAXYLROEODWDZ-LJQANCHMSA-N 0 0 385.489 3.454 50 0 GGAARN CC(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccs1 ZINC000004036048 570923408 /nfs/dbraw/zinc/92/34/08/570923408.db2.gz HOQXRZZCFFFHDY-INIZCTEOSA-N 0 0 391.518 3.453 50 0 GGAARN O=C1O[C@]2(CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)c2ccccc21 ZINC000207987007 570923667 /nfs/dbraw/zinc/92/36/67/570923667.db2.gz JKISWIBDIZOHSR-SFHVURJKSA-N 0 0 395.839 3.330 50 0 GGAARN COc1cc(OC)c(CCC(=O)NC[C@H]2CCCN2c2ccccc2)c(OC)c1 ZINC000207989748 570923708 /nfs/dbraw/zinc/92/37/08/570923708.db2.gz BLEGYYDBVQZOHT-GOSISDBHSA-N 0 0 398.503 3.430 50 0 GGAARN CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccccc1C ZINC000004036143 570923941 /nfs/dbraw/zinc/92/39/41/570923941.db2.gz XFFYDRNBSDXLHR-IBGZPJMESA-N 0 0 385.489 3.454 50 0 GGAARN O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000017079186 570927023 /nfs/dbraw/zinc/92/70/23/570927023.db2.gz INKGSVKZPDCPQG-UHFFFAOYSA-N 0 0 387.867 3.461 50 0 GGAARN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NCc2ccco2)cc1 ZINC000004062055 570927719 /nfs/dbraw/zinc/92/77/19/570927719.db2.gz VHXFHGSCIYIYMT-PMVMPFDFSA-N 0 0 398.503 3.273 50 0 biogenic GGAARN Cc1ccc2cc(CCNC(=O)/C=C\c3ccc4c(c3)OCO4)c(=O)[nH]c2c1C ZINC000017122358 570928134 /nfs/dbraw/zinc/92/81/34/570928134.db2.gz GNZWARAPHPOXGJ-YVMONPNESA-N 0 0 390.439 3.246 50 0 GGAARN Cc1ccccc1-c1nnc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)s1 ZINC000004072294 570929388 /nfs/dbraw/zinc/92/93/88/570929388.db2.gz RDZLYBIWGCNYEI-UHFFFAOYSA-N 0 0 392.440 3.419 50 0 GGAARN O=C(NCCC1=CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000000796685 570930109 /nfs/dbraw/zinc/93/01/09/570930109.db2.gz HBOBNXMUMHMWBU-SFHVURJKSA-N 0 0 376.522 3.094 50 0 GGAARN Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(C(=O)c2ccccc2)c1 ZINC000004079204 570930293 /nfs/dbraw/zinc/93/02/93/570930293.db2.gz KXGFLKCQRMODTO-UHFFFAOYSA-N 0 0 398.418 3.461 50 0 GGAARN O=C(Cc1ccc(F)cc1)N[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(F)cc1 ZINC000001060188 570930816 /nfs/dbraw/zinc/93/08/16/570930816.db2.gz PRJOQUSPOTUFAI-PMACEKPBSA-N 0 0 386.442 3.294 50 0 GGAARN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCO2)ccc1C ZINC000001051276 570930909 /nfs/dbraw/zinc/93/09/09/570930909.db2.gz MYKMYYZMMGWEJT-QGZVFWFLSA-N 0 0 388.489 3.013 50 0 GGAARN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccncc2)ccc1C ZINC000001062049 570930947 /nfs/dbraw/zinc/93/09/47/570930947.db2.gz FPMGPNBIRNTDOD-UHFFFAOYSA-N 0 0 395.484 3.429 50 0 GGAARN COc1ccc(-c2cc(CNC(=O)COc3ccc(F)cc3)no2)cc1OC ZINC000012638857 570932503 /nfs/dbraw/zinc/93/25/03/570932503.db2.gz OVXGDGYHGSJTJT-UHFFFAOYSA-N 0 0 386.379 3.193 50 0 GGAARN COc1ccc(-c2cc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)no2)cc1 ZINC000012637793 570932570 /nfs/dbraw/zinc/93/25/70/570932570.db2.gz ROPKDBSHCPTNBD-UHFFFAOYSA-N 0 0 398.415 3.306 50 0 GGAARN O=C(C[C@@H]1CCCCN1S(=O)(=O)c1cccs1)NCc1ccc(F)cc1 ZINC000015391307 570933377 /nfs/dbraw/zinc/93/33/77/570933377.db2.gz MGOMEYFCCWHTOO-INIZCTEOSA-N 0 0 396.509 3.137 50 0 GGAARN O=C(C[C@H]1CCCCN1S(=O)(=O)c1cccs1)NCc1ccc(F)cc1 ZINC000015391309 570933449 /nfs/dbraw/zinc/93/34/49/570933449.db2.gz MGOMEYFCCWHTOO-MRXNPFEDSA-N 0 0 396.509 3.137 50 0 GGAARN CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000006747614 570939326 /nfs/dbraw/zinc/93/93/26/570939326.db2.gz VTIRCCWDWPVMJN-ZDUSSCGKSA-N 0 0 392.443 3.486 50 0 GGAARN O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000010618930 570941649 /nfs/dbraw/zinc/94/16/49/570941649.db2.gz CAVBIEKCCAHGBI-UHFFFAOYSA-N 0 0 398.509 3.462 50 0 GGAARN COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000036559207 570942992 /nfs/dbraw/zinc/94/29/92/570942992.db2.gz VINYWNBRPQSLMK-MRXNPFEDSA-N 0 0 379.416 3.372 50 0 GGAARN CCOC(=O)C1=C(N)Oc2c3ccccc3oc(=O)c2[C@@H]1c1ccccc1F ZINC000000637547 570946691 /nfs/dbraw/zinc/94/66/91/570946691.db2.gz BSFSFNROYSFTRW-HNNXBMFYSA-N 0 0 381.359 3.190 50 0 GGAARN CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000000828466 570946707 /nfs/dbraw/zinc/94/67/07/570946707.db2.gz ORBMRVPKVAGCQD-SFHVURJKSA-N 0 0 376.453 3.311 50 0 GGAARN COc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C2CC2)cc1OC ZINC000004732528 570947299 /nfs/dbraw/zinc/94/72/99/570947299.db2.gz KQBZWSDFNIYFJU-UHFFFAOYSA-N 0 0 379.420 3.020 50 0 GGAARN CCn1ncnc1COc1nn2c(cc1C(C)(C)C)nnc2-c1ccccc1F ZINC000000602381 570948847 /nfs/dbraw/zinc/94/88/47/570948847.db2.gz QKIWQBLNTSQOLY-UHFFFAOYSA-N 0 0 395.442 3.418 50 0 investigational GGAARN O=C(Nc1ccccc1)c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000033325423 570949117 /nfs/dbraw/zinc/94/91/17/570949117.db2.gz GVKUZQAYDJPGAY-CQSZACIVSA-N 0 0 387.486 3.224 50 0 GGAARN CC[C@@H](C)NC(=O)c1cc(-c2ccc(C)c(C)c2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000033325671 570949532 /nfs/dbraw/zinc/94/95/32/570949532.db2.gz UIXRGTVGCPLSKY-NVXWUHKLSA-N 0 0 389.521 3.055 50 0 GGAARN COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(CCCS(C)(=O)=O)n1 ZINC000585138600 570951312 /nfs/dbraw/zinc/95/13/12/570951312.db2.gz LLVZPWNFXRVRJA-UHFFFAOYSA-N 0 0 391.276 3.078 50 0 GGAARN CCn1nc(C)c(-c2cc(C(=O)OC)n3nc4nc(C)cc(C)c4c3n2)c1C ZINC000020605817 570951413 /nfs/dbraw/zinc/95/14/13/570951413.db2.gz VSNNYQZRAGRGLK-UHFFFAOYSA-N 0 0 378.436 3.181 50 0 GGAARN CCC[C@@H](C)NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000004736595 570951620 /nfs/dbraw/zinc/95/16/20/570951620.db2.gz RJHBBMCWEQEVKA-OAHLLOKOSA-N 0 0 378.469 3.326 50 0 GGAARN COc1ccc([C@H](O)Cn2ccn3nc(-c4ccc(C)cc4)cc3c2=O)cc1 ZINC000263614995 570952263 /nfs/dbraw/zinc/95/22/63/570952263.db2.gz ABLBJPHYGGZFEP-OAQYLSRUSA-N 0 0 375.428 3.214 50 0 GGAARN CCCCN1C(=O)[C@H](CC(=O)NCCc2ccccc2)n2c3ccccc3nc21 ZINC000021005927 570952699 /nfs/dbraw/zinc/95/26/99/570952699.db2.gz ICRLPOWGLIULEW-FQEVSTJZSA-N 0 0 390.487 3.473 50 0 GGAARN COC(=O)COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1C ZINC000002118635 570952883 /nfs/dbraw/zinc/95/28/83/570952883.db2.gz RNALBXMVODAPKB-UHFFFAOYSA-N 0 0 392.363 3.427 50 0 biogenic GGAARN O=C(NCc1cccs1)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 ZINC000263615262 570953025 /nfs/dbraw/zinc/95/30/25/570953025.db2.gz BMMPHXUIJCKWEH-UHFFFAOYSA-N 0 0 395.532 3.202 50 0 GGAARN CC(C)(CC(=O)Nc1ccccc1)CC(=O)N1CCN(c2ccccn2)CC1 ZINC000004739935 570953800 /nfs/dbraw/zinc/95/38/00/570953800.db2.gz MWENSRRXPZEFTI-UHFFFAOYSA-N 0 0 380.492 3.175 50 0 GGAARN CCOc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)C(C)=Nc2nnnn21 ZINC000001291812 570956038 /nfs/dbraw/zinc/95/60/38/570956038.db2.gz PHXXOUFRXHLKKP-SFHVURJKSA-N 0 0 383.452 3.237 50 0 GGAARN COc1ccc(OC)c([C@H]2CC(c3ccc(Cl)cc3)=NN2S(C)(=O)=O)c1 ZINC000001293647 570956086 /nfs/dbraw/zinc/95/60/86/570956086.db2.gz IMTUIFBUCNNLFM-QGZVFWFLSA-N 0 0 394.880 3.468 50 0 GGAARN CCCCOCCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3C2(C)C)C1=O ZINC000002121359 570956390 /nfs/dbraw/zinc/95/63/90/570956390.db2.gz HCNOLMHCFKASEI-IBGZPJMESA-N 0 0 397.519 3.205 50 0 biogenic GGAARN CCOc1ccc(NS(=O)(=O)c2ccc(OCC)c(NC(C)=O)c2)cc1 ZINC000004742203 570956486 /nfs/dbraw/zinc/95/64/86/570956486.db2.gz LDHAVVSOLGAGGQ-UHFFFAOYSA-N 0 0 378.450 3.243 50 0 GGAARN Cc1nc(N2CCN(c3ccccc3F)CC2)[nH]c(=O)c1Cc1ccccc1 ZINC000004741661 570956520 /nfs/dbraw/zinc/95/65/20/570956520.db2.gz RRCNJLHRTMPXCN-UHFFFAOYSA-N 0 0 378.451 3.135 50 0 GGAARN CC1(C)Cc2c3c(nc(-c4ccccc4)c2CO1)sc1c3ncn(N)c1=O ZINC000001305301 570956771 /nfs/dbraw/zinc/95/67/71/570956771.db2.gz LCTCDHWOEMCRSV-UHFFFAOYSA-N 0 0 378.457 3.238 50 0 GGAARN COc1cc(OC)c2c(C)c(CC(=O)NCc3ccc(C)cc3)c(=O)oc2c1 ZINC000004743134 570956839 /nfs/dbraw/zinc/95/68/39/570956839.db2.gz FAACQBYRUMJNFK-UHFFFAOYSA-N 0 0 381.428 3.286 50 0 biogenic GGAARN COc1ccc2c(C)c(CC(=O)NCCc3ccc(F)cc3)c(=O)oc2c1C ZINC000004742820 570956900 /nfs/dbraw/zinc/95/69/00/570956900.db2.gz OGHMXJHHRKJBSK-UHFFFAOYSA-N 0 0 383.419 3.459 50 0 GGAARN COc1cc2oc(=O)c(CC(=O)NCCc3ccccc3)c(C)c2cc1OC ZINC000004743055 570956965 /nfs/dbraw/zinc/95/69/65/570956965.db2.gz VHRHHSAZHPFYOC-UHFFFAOYSA-N 0 0 381.428 3.020 50 0 GGAARN Cc1ccccc1OCC(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000207998845 570957215 /nfs/dbraw/zinc/95/72/15/570957215.db2.gz RHMPHAAEQNAPLN-KRWDZBQOSA-N 0 0 379.416 3.049 50 0 GGAARN Cc1ccccc1OCC(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 ZINC000207998804 570957230 /nfs/dbraw/zinc/95/72/30/570957230.db2.gz RHMPHAAEQNAPLN-QGZVFWFLSA-N 0 0 379.416 3.049 50 0 GGAARN O=C(COc1ccc(Cl)cc1)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000207998703 570957231 /nfs/dbraw/zinc/95/72/31/570957231.db2.gz BATVEWPWENFNGE-KRWDZBQOSA-N 0 0 399.834 3.394 50 0 GGAARN COc1ccccc1CCNC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O ZINC000004743219 570957387 /nfs/dbraw/zinc/95/73/87/570957387.db2.gz IBODJMXTGCWTSE-UHFFFAOYSA-N 0 0 395.455 3.328 50 0 GGAARN Cc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1 ZINC000001317697 570957376 /nfs/dbraw/zinc/95/73/76/570957376.db2.gz HDJRWJZWECDZGG-VKJFTORMSA-N 0 0 394.418 3.264 50 0 GGAARN O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2coc3ccc(F)cc3c2=O)[NH2+]1 ZINC000002126387 570957950 /nfs/dbraw/zinc/95/79/50/570957950.db2.gz OWGOLIXIYLAQGD-APWZRJJASA-N 0 0 378.359 3.102 50 0 biogenic GGAARN CC[C@H](C)OC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000001321097 570958208 /nfs/dbraw/zinc/95/82/08/570958208.db2.gz LPZYVJLSBLHTRJ-NWDGAFQWSA-N 0 0 377.510 3.346 50 0 GGAARN CC[C@H](C)OC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000001321095 570958386 /nfs/dbraw/zinc/95/83/86/570958386.db2.gz LPZYVJLSBLHTRJ-RYUDHWBXSA-N 0 0 377.510 3.346 50 0 GGAARN CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccccc2F)n1 ZINC000012126076 570959820 /nfs/dbraw/zinc/95/98/20/570959820.db2.gz XJZOBRLAFGSJOG-UHFFFAOYSA-N 0 0 381.411 3.348 50 0 GGAARN CSc1ccccc1C(=O)Nc1cc(C2CC2)nn1-c1nc(C)cc(=O)[nH]1 ZINC000012123799 570959853 /nfs/dbraw/zinc/95/98/53/570959853.db2.gz XSHUBPHDHJBBFL-UHFFFAOYSA-N 0 0 381.461 3.116 50 0 GGAARN COc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[nH]2)cc1 ZINC000012126024 570959870 /nfs/dbraw/zinc/95/98/70/570959870.db2.gz MSHFBYZFBHHJJY-UHFFFAOYSA-N 0 0 393.447 3.217 50 0 GGAARN COc1cccc(-n2cnc3cc(C(=O)NCCc4ccccc4)ccc3c2=O)c1 ZINC000032103314 570960137 /nfs/dbraw/zinc/96/01/37/570960137.db2.gz SRKXEXATKMGBCK-UHFFFAOYSA-N 0 0 399.450 3.367 50 0 GGAARN Cc1cc2c(s1)n(CC(=O)Nc1ccccc1)c(=O)n(-c1ccccc1)c2=O ZINC000032103463 570960241 /nfs/dbraw/zinc/96/02/41/570960241.db2.gz FROJJWJDXVRDCY-UHFFFAOYSA-N 0 0 391.452 3.161 50 0 GGAARN Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)NCc1ccc(F)cc1 ZINC000012166407 570960628 /nfs/dbraw/zinc/96/06/28/570960628.db2.gz HXISDXJITLZGSO-UHFFFAOYSA-N 0 0 384.382 3.173 50 0 GGAARN O=C(CNS(=O)(=O)c1cccs1)N1CC2(CCCC2)c2c1cccc2F ZINC000194987500 570961018 /nfs/dbraw/zinc/96/10/18/570961018.db2.gz XMENZHDBGCCEFS-UHFFFAOYSA-N 0 0 394.493 3.024 50 0 GGAARN O=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000465829781 570962563 /nfs/dbraw/zinc/96/25/63/570962563.db2.gz AZZJRPFVZFNIGE-LJQANCHMSA-N 0 0 391.943 3.268 50 0 GGAARN O=C1CCCN1c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000012198480 570963433 /nfs/dbraw/zinc/96/34/33/570963433.db2.gz OVMURHKJVZQSIZ-UHFFFAOYSA-N 0 0 398.528 3.457 50 0 GGAARN CC(C)(C)NC(=O)Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)ccc1=O ZINC000033293209 570963515 /nfs/dbraw/zinc/96/35/15/570963515.db2.gz KNYVACHYMVHVRL-UHFFFAOYSA-N 0 0 386.839 3.133 50 0 GGAARN Cc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccco4)nn32)cc1 ZINC000004143244 570963707 /nfs/dbraw/zinc/96/37/07/570963707.db2.gz YHPSHKNNYJGGHS-UHFFFAOYSA-N 0 0 379.445 3.101 50 0 GGAARN 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/nfs/dbraw/zinc/99/08/53/570990853.db2.gz VPPOTXWENOMBMH-UHFFFAOYSA-N 0 0 382.485 3.362 50 0 GGAARN O=C(Nc1cccnc1Cl)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000016649339 570994507 /nfs/dbraw/zinc/99/45/07/570994507.db2.gz QHSUCNAIHYOQOC-UHFFFAOYSA-N 0 0 397.859 3.301 50 0 GGAARN O=C(C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC1CCCCCC1 ZINC000252548540 570995007 /nfs/dbraw/zinc/99/50/07/570995007.db2.gz QBCICMUQQTUDCH-LJQANCHMSA-N 0 0 396.491 3.064 50 0 GGAARN CC[C@@H](C)[C@@H](NC(=O)c1cccc(-n2nnnc2C)c1)c1nc2ccccc2[nH]1 ZINC000252551066 570995515 /nfs/dbraw/zinc/99/55/15/570995515.db2.gz TXMCEKCFOBYSGN-BFUOFWGJSA-N 0 0 389.463 3.364 50 0 GGAARN COc1ccc(-c2csc(C3=C(N)N(CCN4CCCC4=O)CC3=O)n2)cc1 ZINC000252572426 570996412 /nfs/dbraw/zinc/99/64/12/570996412.db2.gz ZHOWGZXLBAVYSI-UHFFFAOYSA-N 0 0 398.488 3.003 50 0 GGAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(Nc3nc4ccccc4s3)=N2)cc1C ZINC000004812573 570999273 /nfs/dbraw/zinc/99/92/73/570999273.db2.gz CXONGJWJIGSBQF-HNNXBMFYSA-N 0 0 393.472 3.208 50 0 GGAARN O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)Nc1ccccc1F ZINC000001427142 571001171 /nfs/dbraw/zinc/00/11/71/571001171.db2.gz KAEOXMZDOWFIBH-UHFFFAOYSA-N 0 0 394.431 3.235 50 0 GGAARN Cc1ccc(CNC(=O)CSc2nccn(-c3ccc(F)cc3)c2=O)cc1 ZINC000007615777 571001381 /nfs/dbraw/zinc/00/13/81/571001381.db2.gz MFSUALFFBGWZDN-UHFFFAOYSA-N 0 0 383.448 3.089 50 0 GGAARN COc1cc([C@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)OC3)cc(OC)c1OC ZINC000001427882 571001575 /nfs/dbraw/zinc/00/15/75/571001575.db2.gz UEXADLLZMINAAZ-OAHLLOKOSA-N 0 0 395.411 3.044 50 0 GGAARN O=C1OCC2=C1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2c1cccc(Cl)c1 ZINC000001427639 571001640 /nfs/dbraw/zinc/00/16/40/571001640.db2.gz KSUKMEOOKBVECL-CQSZACIVSA-N 0 0 383.787 3.400 50 0 GGAARN COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)OC3)c1 ZINC000001427983 571001708 /nfs/dbraw/zinc/00/17/08/571001708.db2.gz CBKXBCQCMYBBRW-INIZCTEOSA-N 0 0 383.375 3.174 50 0 GGAARN COc1ccc([C@@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)c(OC)c1OC ZINC000001427667 571001746 /nfs/dbraw/zinc/00/17/46/571001746.db2.gz DYJMLFWVMBWELI-ZDUSSCGKSA-N 0 0 382.368 3.260 50 0 biogenic GGAARN COc1cc(OC)c([C@H]2CC(=O)Oc3c4ccccc4n(C)c(=O)c32)cc1OC ZINC000001427992 571001750 /nfs/dbraw/zinc/00/17/50/571001750.db2.gz DDIREMWQNIXCFA-CQSZACIVSA-N 0 0 395.411 3.005 50 0 GGAARN COc1ccc(-c2noc(-c3nnn(-c4cc(OC)ccc4OC)c3C)n2)cc1 ZINC000007615914 571002023 /nfs/dbraw/zinc/00/20/23/571002023.db2.gz YLKRKZOVHYVDJY-UHFFFAOYSA-N 0 0 393.403 3.319 50 0 GGAARN Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@H]2c1c[nH]nc1-c1cccc(O)c1 ZINC000001430901 571002139 /nfs/dbraw/zinc/00/21/39/571002139.db2.gz ZFUFMUIPGFXSBP-HNNXBMFYSA-N 0 0 387.395 3.075 50 0 GGAARN COc1cccc([C@@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)OC3)c1OC ZINC000001429668 571002278 /nfs/dbraw/zinc/00/22/78/571002278.db2.gz NYJVOKIXEULSHR-HNNXBMFYSA-N 0 0 383.375 3.174 50 0 GGAARN COc1ccc(OC)c(NC(=O)Cn2cnc3c4ccccc4sc3c2=O)c1 ZINC000045942828 571004342 /nfs/dbraw/zinc/00/43/42/571004342.db2.gz BWAQAWDDUITRRO-UHFFFAOYSA-N 0 0 395.440 3.267 50 0 GGAARN Cc1cc(O[C@H]2CCN(C(=O)COc3ccc(Cl)cc3Cl)C2)cc(=O)o1 ZINC000218921473 571004575 /nfs/dbraw/zinc/00/45/75/571004575.db2.gz LJZXIJYIKOTGKG-ZDUSSCGKSA-N 0 0 398.242 3.314 50 0 GGAARN COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 ZINC000007657279 571012551 /nfs/dbraw/zinc/01/25/51/571012551.db2.gz RQIWYQQXJJCYJG-HNNXBMFYSA-N 0 0 386.835 3.114 50 0 GGAARN CCCN1CC2=C(C1=O)[C@H](c1ccc(OCc3ccccc3)cc1)NC(=O)N2 ZINC000007777855 571035780 /nfs/dbraw/zinc/03/57/80/571035780.db2.gz KFJJEFOQVIYQGC-FQEVSTJZSA-N 0 0 377.444 3.126 50 0 GGAARN CC(=O)c1sc2[nH]c(SCC(=O)NCc3ccccc3)nc(=O)c2c1C ZINC000016399916 571046909 /nfs/dbraw/zinc/04/69/09/571046909.db2.gz HCGCGHGLWRIYCP-UHFFFAOYSA-N 0 0 387.486 3.316 50 0 GGAARN CC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000016393790 571047394 /nfs/dbraw/zinc/04/73/94/571047394.db2.gz YCROFLYCQNLCLD-UHFFFAOYSA-N 0 0 379.441 3.370 50 0 GGAARN Cc1nc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)n(C)n1 ZINC000095517866 571084745 /nfs/dbraw/zinc/08/47/45/571084745.db2.gz UOQPERNBEVJMMH-MRXNPFEDSA-N 0 0 396.520 3.098 50 0 GGAARN Cc1cnn(CCCNC(=O)Nc2cccc(C(=O)N3CCCCCC3)c2)c1 ZINC000095523335 571088692 /nfs/dbraw/zinc/08/86/92/571088692.db2.gz SSEQMOMPMLQYOQ-UHFFFAOYSA-N 0 0 383.496 3.420 50 0 GGAARN CCCn1c(C)c(CC(=O)NCc2snnc2C)c2c1CC(C)(C)CC2=O ZINC000095523501 571089196 /nfs/dbraw/zinc/08/91/96/571089196.db2.gz AXIMPLSZSIMXOI-UHFFFAOYSA-N 0 0 388.537 3.380 50 0 GGAARN Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3Cc3nc(C)no3)cc2)n1 ZINC000095523466 571089317 /nfs/dbraw/zinc/08/93/17/571089317.db2.gz IRVJKZJQVHUUPT-IBGZPJMESA-N 0 0 394.479 3.174 50 0 GGAARN Cc1ccccc1OCc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1C ZINC000004816216 571094157 /nfs/dbraw/zinc/09/41/57/571094157.db2.gz QAJVVBZDSCWMLY-ZBFHGGJFSA-N 0 0 388.537 3.490 50 0 GGAARN C[C@H](Oc1ccccc1)C(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000043983319 571094569 /nfs/dbraw/zinc/09/45/69/571094569.db2.gz MLWDTVAWOKWYAB-KRWDZBQOSA-N 0 0 382.460 3.481 50 0 GGAARN COc1cccc(C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)c1OC ZINC000043983465 571094591 /nfs/dbraw/zinc/09/45/91/571094591.db2.gz USKYEVPTGFCDOZ-UHFFFAOYSA-N 0 0 398.459 3.345 50 0 GGAARN COc1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1OC ZINC000004816016 571094941 /nfs/dbraw/zinc/09/49/41/571094941.db2.gz NZTOWJISYQNCCL-YBEGLDIGSA-N 0 0 399.859 3.036 50 0 GGAARN C[C@@H](Oc1ccccc1)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000009109024 654489072 /nfs/dbraw/zinc/48/90/72/654489072.db2.gz JOWICNPFJTXTDI-LLVKDONJSA-N 0 0 376.459 3.106 50 0 GGAARN CCNC(=O)c1ccc(NC(=O)NC2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000054432995 1406735150 /nfs/dbraw/zinc/73/51/50/1406735150.db2.gz YVSADFVAOPLXPK-UHFFFAOYSA-N 0 0 384.455 3.366 50 0 GGAARN CSCC[C@@H](NC(=O)c1cc(C)nc2onc(C)c21)c1nnc2ccccn21 ZINC000054887815 1406843739 /nfs/dbraw/zinc/84/37/39/1406843739.db2.gz NZGMXYAAKKAPOR-CQSZACIVSA-N 0 0 396.476 3.107 50 0 GGAARN COc1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000055060421 1406880516 /nfs/dbraw/zinc/88/05/16/1406880516.db2.gz PQHXYKCWICLMCI-UHFFFAOYSA-N 0 0 389.883 3.118 50 0 GGAARN CCCCn1c(CN(C)Cc2ccc(CC)cn2)cnc1S(=O)(=O)CC ZINC000055089375 1406882820 /nfs/dbraw/zinc/88/28/20/1406882820.db2.gz YUSGIVVQAIDIKE-UHFFFAOYSA-N 0 0 378.542 3.066 50 0 GGAARN COC(=O)[C@](NC(=O)c1ccccc1C)(Nc1cc(C)cc(C)n1)C(F)(F)F ZINC000055214958 1406904732 /nfs/dbraw/zinc/90/47/32/1406904732.db2.gz QDOPAYSSDJIGMH-GOSISDBHSA-N 0 0 395.381 3.280 50 0 GGAARN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)CC1 ZINC000055270414 1406917501 /nfs/dbraw/zinc/91/75/01/1406917501.db2.gz CSGSUWVAPJGURP-LJQANCHMSA-N 0 0 394.519 3.287 50 0 GGAARN CC1CCN(C(=O)c2coc(CN3CCN(c4ccccc4F)CC3)n2)CC1 ZINC000055342091 1406934378 /nfs/dbraw/zinc/93/43/78/1406934378.db2.gz ADOHRTXBOYOAIJ-UHFFFAOYSA-N 0 0 386.471 3.008 50 0 GGAARN O=S(=O)(Nc1cccc(F)c1)c1cccc(S(=O)(=O)c2ccccc2)c1 ZINC000001177370 1398301777 /nfs/dbraw/zinc/30/17/77/1398301777.db2.gz ADIWDPVVLBVSQC-UHFFFAOYSA-N 0 0 391.445 3.459 50 0 GGAARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2)cc1OC ZINC000001216544 1398302162 /nfs/dbraw/zinc/30/21/62/1398302162.db2.gz YGRHCSQQKYSXDV-LJQANCHMSA-N 0 0 381.432 3.279 50 0 GGAARN COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)Nc2cccc(O)c2)cc1 ZINC000001228625 1398302838 /nfs/dbraw/zinc/30/28/38/1398302838.db2.gz LSIDMDONGWRPHC-LDADJPATSA-N 0 0 378.384 3.403 50 0 GGAARN COC(=O)[C@@](NC(=O)c1ccc(C)cc1)(Nc1cc(C)cc(C)n1)C(F)(F)F ZINC000055382667 1406943798 /nfs/dbraw/zinc/94/37/98/1406943798.db2.gz QZELCGVFMMBQBT-SFHVURJKSA-N 0 0 395.381 3.280 50 0 GGAARN NC(=O)c1c2c(sc1NC(=O)Cn1nc(C(F)F)cc1C(F)F)CCC2 ZINC000002785198 1398318859 /nfs/dbraw/zinc/31/88/59/1398318859.db2.gz RPLUBJBGCSUNRN-UHFFFAOYSA-N 0 0 390.362 3.046 50 0 GGAARN Cc1ccc(/C=C/C(=O)N(CCc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000002887098 1398321414 /nfs/dbraw/zinc/32/14/14/1398321414.db2.gz NGZBWQYUUFDQIN-RJRNSMGGSA-N 0 0 383.513 3.267 50 0 GGAARN Cc1ccc(CNC(=O)c2ccc(Cn3nnc4ccccc4c3=O)cc2)cc1 ZINC000002932850 1398321798 /nfs/dbraw/zinc/32/17/98/1398321798.db2.gz QIXSJQAJSQWIHQ-UHFFFAOYSA-N 0 0 384.439 3.078 50 0 GGAARN CCOc1ccccc1N1C(=O)CN(Cc2ccc(OC)c(OC)c2)C1=S ZINC000003033715 1398324950 /nfs/dbraw/zinc/32/49/50/1398324950.db2.gz XNMUQMRSVLCZDH-UHFFFAOYSA-N 0 0 386.473 3.236 50 0 GGAARN O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ccccc1C(F)(F)F ZINC000003497922 1398357911 /nfs/dbraw/zinc/35/79/11/1398357911.db2.gz JORXUJZLHCMQFY-HNNXBMFYSA-N 0 0 381.306 3.027 50 0 GGAARN O=c1[nH]c2ccccc2n1CCCSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000003568160 1398369847 /nfs/dbraw/zinc/36/98/47/1398369847.db2.gz PPVUYSGLBKJMCS-UHFFFAOYSA-N 0 0 396.428 3.291 50 0 GGAARN COc1ccc(CN2C(=O)N(C(C)C)[C@H](N(O)C(=O)NC(C)C)C2(C)C)cc1 ZINC000003985296 1398375875 /nfs/dbraw/zinc/37/58/75/1398375875.db2.gz URCZJBJDZHNWDN-QGZVFWFLSA-N 0 0 392.500 3.255 50 0 biogenic GGAARN COc1cccc(C(=O)Oc2ccc(/C=C3\SC(=N)NC3=O)cc2OC)c1 ZINC000003853252 1398375932 /nfs/dbraw/zinc/37/59/32/1398375932.db2.gz REBTVTWBHOUXEF-SXGWCWSVSA-N 0 0 384.413 3.062 50 0 GGAARN COC(=O)c1cccc(N2C(=O)N3CCc4c5ccccc5[nH]c4[C@@]3(C)C2=O)c1 ZINC000003882094 1398376022 /nfs/dbraw/zinc/37/60/22/1398376022.db2.gz AYDNTZNSMPWWQV-QFIPXVFZSA-N 0 0 389.411 3.195 50 0 biogenic GGAARN CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000004023201 1398377034 /nfs/dbraw/zinc/37/70/34/1398377034.db2.gz SDSTWQKFZBIDEK-QNDSGDLPSA-N 0 0 390.520 3.462 50 0 biogenic GGAARN CCOC(=O)C(C(=O)OCC)[C@H](Nc1ccc(C)c(C)c1)C(=O)OC(C)(C)C ZINC000004052034 1398377501 /nfs/dbraw/zinc/37/75/01/1398377501.db2.gz PRKIVOWEKSKNPX-KRWDZBQOSA-N 0 0 393.480 3.168 50 0 GGAARN O=C1[C@H]2[C@H](C=Cc3ccccc3)N3CSC[C@@H]3[C@H]2C(=O)N1c1ccccc1 ZINC000004042247 1398377593 /nfs/dbraw/zinc/37/75/93/1398377593.db2.gz MBXWDSGZEQLRNI-JREKIAODSA-N 0 0 376.481 3.263 50 0 GGAARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2ccccc21 ZINC000004046094 1398377774 /nfs/dbraw/zinc/37/77/74/1398377774.db2.gz OQHDZWRBURQDDM-LPHOPBHVSA-N 0 0 384.819 3.447 50 0 biogenic GGAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2cccc(OC)c2)C(=O)[C@]31C ZINC000004073804 1398378238 /nfs/dbraw/zinc/37/82/38/1398378238.db2.gz FRGQDDBALRCINB-QFIPXVFZSA-N 0 0 391.427 3.425 50 0 biogenic GGAARN CC[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1 ZINC000004076442 1398378469 /nfs/dbraw/zinc/37/84/69/1398378469.db2.gz CVRJZEXVLMQRJP-OAQYLSRUSA-N 0 0 384.480 3.330 50 0 GGAARN O=C(CSc1nnc(NC(=O)c2ccccc2)s1)N1CCc2ccccc21 ZINC000004078197 1398378616 /nfs/dbraw/zinc/37/86/16/1398378616.db2.gz CMTJBHLBRHVWGV-UHFFFAOYSA-N 0 0 396.497 3.472 50 0 GGAARN CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 ZINC000004066298 1398378717 /nfs/dbraw/zinc/37/87/17/1398378717.db2.gz CFGBYPFXEPTOTI-GXAAJVFHSA-N 0 0 386.448 3.411 50 0 GGAARN CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)cc1 ZINC000004087126 1398379199 /nfs/dbraw/zinc/37/91/99/1398379199.db2.gz NLEIBYQOCWUXSM-UHFFFAOYSA-N 0 0 387.505 3.265 50 0 GGAARN Cc1c(O[C@@H](C)C(=O)NCCCO)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000004085111 1398379482 /nfs/dbraw/zinc/37/94/82/1398379482.db2.gz 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COc1ccc(-n2nc3c(c2NC(=O)Cc2cccc(C)c2)C[S@](=O)C3)cc1 ZINC000004105721 1398379952 /nfs/dbraw/zinc/37/99/52/1398379952.db2.gz KALSBYDLQMQEHS-MUUNZHRXSA-N 0 0 395.484 3.133 50 0 GGAARN CC(C)(C)n1nc2c(c1NC(=O)c1ccc3ccccc3c1)CS(=O)(=O)C2 ZINC000004088609 1398380118 /nfs/dbraw/zinc/38/01/18/1398380118.db2.gz KRVKMORYDQKOLL-UHFFFAOYSA-N 0 0 383.473 3.472 50 0 GGAARN O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc2c(c1)OCO2 ZINC000004103000 1398380194 /nfs/dbraw/zinc/38/01/94/1398380194.db2.gz MKZQIAGKNSNOME-UHFFFAOYSA-N 0 0 378.432 3.110 50 0 GGAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C[C@@H]1CCCO1)C(=O)c1ccccn1 ZINC000004101222 1398380215 /nfs/dbraw/zinc/38/02/15/1398380215.db2.gz FRGQLPMXKLSPJY-PGRDOPGGSA-N 0 0 387.524 3.320 50 0 GGAARN COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S@@](=O)C3)cc1 ZINC000004106141 1398380580 /nfs/dbraw/zinc/38/05/80/1398380580.db2.gz JWFUTUWXAXEEAO-HHHXNRCGSA-N 0 0 381.457 3.204 50 0 GGAARN C[C@H](Oc1ccccc1)C(=O)Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2 ZINC000004105765 1398380646 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Cc1ccc(-c2nnc3ccc(SCC(=O)Nc4nccs4)nn32)cc1 ZINC000004164839 1398381893 /nfs/dbraw/zinc/38/18/93/1398381893.db2.gz KLRSXQZNHNHXSO-UHFFFAOYSA-N 0 0 382.474 3.287 50 0 GGAARN O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)NCc1ccccc1 ZINC000004164435 1398381966 /nfs/dbraw/zinc/38/19/66/1398381966.db2.gz QSHVQUXSRWDHON-UHFFFAOYSA-N 0 0 393.447 3.339 50 0 GGAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)c(OC)c1 ZINC000004180790 1398382286 /nfs/dbraw/zinc/38/22/86/1398382286.db2.gz XUFHJLCAESVERQ-LJQANCHMSA-N 0 0 391.431 3.223 50 0 GGAARN CCOc1ccc(S(=O)(=O)c2cn(CC)c3ccc(F)cc3c2=O)cc1 ZINC000004193303 1398382576 /nfs/dbraw/zinc/38/25/76/1398382576.db2.gz XUZBCTYAWXVJBO-UHFFFAOYSA-N 0 0 375.421 3.392 50 0 GGAARN O=C(CSc1cnc2ccccc2n1)N1CCN(c2ccc(F)cc2)CC1 ZINC000004190180 1398382588 /nfs/dbraw/zinc/38/25/88/1398382588.db2.gz YFFBKVJKZYCXFU-UHFFFAOYSA-N 0 0 382.464 3.210 50 0 GGAARN CCc1ccc(CN(C(=O)c2ccccc2OC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004183145 1398382672 /nfs/dbraw/zinc/38/26/72/1398382672.db2.gz 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1398386472 /nfs/dbraw/zinc/38/64/72/1398386472.db2.gz AGDAFTJWQIMWES-UHFFFAOYSA-N 0 0 391.456 3.331 50 0 GGAARN CCOc1ccc(C(=O)Oc2coc(CSc3nccn3C)cc2=O)cc1 ZINC000004251332 1398386701 /nfs/dbraw/zinc/38/67/01/1398386701.db2.gz CPZHOPVPHDWRQH-UHFFFAOYSA-N 0 0 386.429 3.284 50 0 GGAARN O=C1N[C@H](c2cccc(Cl)c2)C(=C(O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004269834 1398387291 /nfs/dbraw/zinc/38/72/91/1398387291.db2.gz DXEIDRUWAJRMAR-CKEIUWERSA-N 0 0 398.768 3.444 50 0 GGAARN C[C@H]1CCCC[C@H]1NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000004272071 1398388082 /nfs/dbraw/zinc/38/80/82/1398388082.db2.gz BBZOOCCBALUHPX-QFBILLFUSA-N 0 0 395.503 3.141 50 0 GGAARN Cn1ncc2c1nc(N1CCN(c3ccccc3)CC1)nc2NCc1ccccc1 ZINC000004272766 1398388244 /nfs/dbraw/zinc/38/82/44/1398388244.db2.gz VZAWBZSLQBCHRT-UHFFFAOYSA-N 0 0 399.502 3.302 50 0 GGAARN Cc1ccc(NC(=O)c2cnc(SCc3ccccn3)n(C)c2=O)cc1C ZINC000004272809 1398388328 /nfs/dbraw/zinc/38/83/28/1398388328.db2.gz RYMOEYYHYOPZQN-UHFFFAOYSA-N 0 0 380.473 3.337 50 0 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393.490 3.154 50 0 GGAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1nc2ccccc2[nH]1 ZINC000055441533 1406962935 /nfs/dbraw/zinc/96/29/35/1406962935.db2.gz QZLGQKSTRVGQFD-CWTRNNRKSA-N 0 0 378.432 3.411 50 0 GGAARN CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nc2ccccc2[nH]1 ZINC000055441813 1406962941 /nfs/dbraw/zinc/96/29/41/1406962941.db2.gz WLRMNLYZZFNLHJ-FRQCXROJSA-N 0 0 392.507 3.473 50 0 GGAARN CC[C@H](C)[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1nc2ccccc2[nH]1 ZINC000055441534 1406962986 /nfs/dbraw/zinc/96/29/86/1406962986.db2.gz QZLGQKSTRVGQFD-HXPMCKFVSA-N 0 0 378.432 3.411 50 0 GGAARN COc1ccccc1OCCN1c2ccc(Cl)cc2C2(OCCCO2)C1=O ZINC000007997727 1398788189 /nfs/dbraw/zinc/78/81/89/1398788189.db2.gz KAZWMBPTKMOURE-UHFFFAOYSA-N 0 0 389.835 3.364 50 0 GGAARN O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000008026453 1398793218 /nfs/dbraw/zinc/79/32/18/1398793218.db2.gz UVWSQZZLTDVOOS-QGZVFWFLSA-N 0 0 390.848 3.273 50 0 GGAARN COC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OC)C1c1ccc(OC)cc1 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Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2ccccc2F)N(CCCO)C3=O)c1 ZINC000008574872 1398841250 /nfs/dbraw/zinc/84/12/50/1398841250.db2.gz GOPZZNOTEINIJY-FQEVSTJZSA-N 0 0 395.434 3.466 50 0 GGAARN Cc1cccc(C)c1OC(=O)CSc1nnc(CNC(=O)c2ccccc2)o1 ZINC000008587536 1398841290 /nfs/dbraw/zinc/84/12/90/1398841290.db2.gz NVZYDLLSASBITK-UHFFFAOYSA-N 0 0 397.456 3.314 50 0 GGAARN CCOC(=O)c1cccc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000008609509 1398841563 /nfs/dbraw/zinc/84/15/63/1398841563.db2.gz FHRQEZPUHFDWNG-UHFFFAOYSA-N 0 0 394.431 3.305 50 0 GGAARN Cc1cccc(-c2noc([C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)n2)c1 ZINC000008605187 1398841576 /nfs/dbraw/zinc/84/15/76/1398841576.db2.gz KQBHGXUZCQUMMP-HNNXBMFYSA-N 0 0 377.400 3.337 50 0 GGAARN Cc1cccc2cc(CN(Cc3cccnc3)C(=O)c3ccncc3)c(=O)[nH]c12 ZINC000008602315 1398841643 /nfs/dbraw/zinc/84/16/43/1398841643.db2.gz RBULAUISRIYUOE-UHFFFAOYSA-N 0 0 384.439 3.469 50 0 GGAARN O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2nsc3ccccc32)CC1 ZINC000008599340 1398841690 /nfs/dbraw/zinc/84/16/90/1398841690.db2.gz VEQBQXGXNRCQQQ-UHFFFAOYSA-N 0 0 384.436 3.425 50 0 GGAARN Cc1nn(C(=O)c2ccc(C)cc2)c(C)c1S(=O)(=O)N1CCCCCC1 ZINC000008611084 1398841951 /nfs/dbraw/zinc/84/19/51/1398841951.db2.gz XHLPPLPHYHQHHE-UHFFFAOYSA-N 0 0 375.494 3.062 50 0 GGAARN CCCCCCn1c(=O)c2c(nc3n2CCCN3c2ccc(C)cc2)n(C)c1=O ZINC000008625395 1398842292 /nfs/dbraw/zinc/84/22/92/1398842292.db2.gz VFDYSRPQTNRLQZ-UHFFFAOYSA-N 0 0 395.507 3.327 50 0 GGAARN CCCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(C)cc(C)c2)n(C)c1=O ZINC000008628269 1398842296 /nfs/dbraw/zinc/84/22/96/1398842296.db2.gz SKPHJBUSLAKNPM-INIZCTEOSA-N 0 0 395.507 3.101 50 0 GGAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 ZINC000008674000 1398843541 /nfs/dbraw/zinc/84/35/41/1398843541.db2.gz HQNWKVIKSIAXIJ-UHFFFAOYSA-N 0 0 379.372 3.324 50 0 GGAARN NC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3[nH]1)CCCC2 ZINC000008725553 1398845127 /nfs/dbraw/zinc/84/51/27/1398845127.db2.gz FJJICKGGQHHIDJ-UHFFFAOYSA-N 0 0 386.502 3.333 50 0 GGAARN COc1cccc(N2CCN(CC(=O)Nc3nc4ccccc4s3)CC2)c1 ZINC000008739340 1398845420 /nfs/dbraw/zinc/84/54/20/1398845420.db2.gz DKBAVDWGJPRBTD-UHFFFAOYSA-N 0 0 382.489 3.066 50 0 GGAARN Cc1coc2cc3oc(=O)c(CCC(=O)NCCc4c[nH]cn4)c(C)c3cc12 ZINC000008764437 1398846275 /nfs/dbraw/zinc/84/62/75/1398846275.db2.gz XNZHOWFNCRMHDR-UHFFFAOYSA-N 0 0 379.416 3.171 50 0 biogenic GGAARN O=C(CCNC(=O)N1CC(=O)Nc2ccccc21)Nc1cccc2ccccc21 ZINC000008770336 1398846307 /nfs/dbraw/zinc/84/63/07/1398846307.db2.gz KGDZACSVAINITP-UHFFFAOYSA-N 0 0 388.427 3.337 50 0 GGAARN CCc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)OC)CC2=O)cc1 ZINC000008845052 1398847155 /nfs/dbraw/zinc/84/71/55/1398847155.db2.gz KIIMGLHOTSQNAF-MRXNPFEDSA-N 0 0 377.444 3.292 50 0 GGAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@]12c1ccccc1N(C)C2=O ZINC000008867800 1398848047 /nfs/dbraw/zinc/84/80/47/1398848047.db2.gz HILXCNNXKNBCAC-QHCPKHFHSA-N 0 0 388.423 3.269 50 0 GGAARN COc1ccc2c(C)c(CC(=O)N(C)Cc3ccccc3)c(=O)oc2c1OC ZINC000008879275 1398848063 /nfs/dbraw/zinc/84/80/63/1398848063.db2.gz DWYVLLZSUOCRFY-UHFFFAOYSA-N 0 0 381.428 3.320 50 0 biogenic GGAARN Cc1ccc(COC(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000008868982 1398848131 /nfs/dbraw/zinc/84/81/31/1398848131.db2.gz YZPARGOYWOPLMH-LJQANCHMSA-N 0 0 391.464 3.460 50 0 GGAARN COc1ccc(-c2n[nH]c3c2CN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 ZINC000008914003 1398848880 /nfs/dbraw/zinc/84/88/80/1398848880.db2.gz LGJVPDWSPARLRP-UHFFFAOYSA-N 0 0 377.400 3.013 50 0 GGAARN COc1ccc(NC(=O)NCCS(=O)(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000008923867 1398848912 /nfs/dbraw/zinc/84/89/12/1398848912.db2.gz IPLXLSSUYUFGCA-UHFFFAOYSA-N 0 0 387.461 3.080 50 0 GGAARN CCOc1ccc2nc(NC(=O)c3nn(-c4ccccc4)ccc3=O)sc2c1 ZINC000008974951 1398850612 /nfs/dbraw/zinc/85/06/12/1398850612.db2.gz BVKOPJHZYBOQSB-UHFFFAOYSA-N 0 0 392.440 3.493 50 0 GGAARN Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2ccccn2)cc1 ZINC000008979783 1398851293 /nfs/dbraw/zinc/85/12/93/1398851293.db2.gz HNJCFMJBMILCNF-MRXNPFEDSA-N 0 0 392.484 3.445 50 0 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1398855639 /nfs/dbraw/zinc/85/56/39/1398855639.db2.gz YSFKHPGGKNVBGF-ZWKOTPCHSA-N 0 0 397.479 3.110 50 0 GGAARN Cc1nnc2n1N[C@H](c1ccc(F)cc1)[C@H](C(=O)Nc1cccc(C)c1)S2 ZINC000009237717 1398855666 /nfs/dbraw/zinc/85/56/66/1398855666.db2.gz ANZAKZJHQRYSMC-IAGOWNOFSA-N 0 0 383.452 3.432 50 0 GGAARN COc1cccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(F)cc2)c1 ZINC000009237603 1398855682 /nfs/dbraw/zinc/85/56/82/1398855682.db2.gz FMUGXWSZTDYILH-DLBZAZTESA-N 0 0 399.451 3.132 50 0 GGAARN COc1ccc2[nH]c(=O)c(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2c1 ZINC000009234739 1398855736 /nfs/dbraw/zinc/85/57/36/1398855736.db2.gz RYDFYBBDEPEILU-UHFFFAOYSA-N 0 0 386.473 3.120 50 0 GGAARN Cc1cccc(C)c1NC(=O)CN1c2ccccc2C(=O)N2CCCC[C@H]2C1=O ZINC000009304028 1398856287 /nfs/dbraw/zinc/85/62/87/1398856287.db2.gz GNKMDBKWRRRERV-IBGZPJMESA-N 0 0 391.471 3.283 50 0 GGAARN O=C(CSc1nnc2[nH]c3ccccc3n21)N1N=CC[C@@H]1c1ccccc1 ZINC000009265832 1398856321 /nfs/dbraw/zinc/85/63/21/1398856321.db2.gz XDWPGWFUZIDNND-OAHLLOKOSA-N 0 0 376.445 3.262 50 0 GGAARN CCCCN1C(=O)N[C@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C1=O ZINC000009306764 1398856497 /nfs/dbraw/zinc/85/64/97/1398856497.db2.gz AICXLABDFZCHFA-SFHVURJKSA-N 0 0 399.413 3.324 50 0 GGAARN COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)n2)cc1OC ZINC000009318158 1398856667 /nfs/dbraw/zinc/85/66/67/1398856667.db2.gz FVPPMRMCBYLULZ-CYBMUJFWSA-N 0 0 383.379 3.413 50 0 GGAARN COc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(OC)c(OC)c4)C3)n2)cc1 ZINC000009318264 1398856676 /nfs/dbraw/zinc/85/66/76/1398856676.db2.gz VIQPTDATHXNKCY-CQSZACIVSA-N 0 0 395.415 3.283 50 0 GGAARN COc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(OC)c(OC)c4)C3)n2)cc1 ZINC000009318267 1398856737 /nfs/dbraw/zinc/85/67/37/1398856737.db2.gz VIQPTDATHXNKCY-AWEZNQCLSA-N 0 0 395.415 3.283 50 0 GGAARN COc1ccc(-n2ccnc(NCc3ccc4c(c3)OCO4)c2=O)cc1Cl ZINC000009320249 1398856793 /nfs/dbraw/zinc/85/67/93/1398856793.db2.gz JLORLHFIEDELMP-UHFFFAOYSA-N 0 0 385.807 3.235 50 0 GGAARN COc1ccc(N2C[C@@H](c3nc(-c4ccc(OC)cc4OC)no3)CC2=O)cc1 ZINC000009318417 1398856816 /nfs/dbraw/zinc/85/68/16/1398856816.db2.gz LTMOSXKDCXJRKA-ZDUSSCGKSA-N 0 0 395.415 3.283 50 0 GGAARN COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)c1 ZINC000009348239 1398857023 /nfs/dbraw/zinc/85/70/23/1398857023.db2.gz BAGZCKMBISUBMT-SFHVURJKSA-N 0 0 385.395 3.110 50 0 GGAARN COc1ccc2c(C)c(CC(=O)N(C)CCCc3ccco3)c(=O)oc2c1OC ZINC000009341652 1398857106 /nfs/dbraw/zinc/85/71/06/1398857106.db2.gz SWPDSYRLOBVLKH-UHFFFAOYSA-N 0 0 399.443 3.345 50 0 GGAARN COc1ccc(NC(=O)COCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000009355348 1398857531 /nfs/dbraw/zinc/85/75/31/1398857531.db2.gz PDXGAEBIEUBSJE-UHFFFAOYSA-N 0 0 382.338 3.308 50 0 GGAARN COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1 ZINC000009420745 1398858223 /nfs/dbraw/zinc/85/82/23/1398858223.db2.gz CDPOJCFIBRKLTN-GOSISDBHSA-N 0 0 391.471 3.345 50 0 GGAARN COc1ccc(C(=O)N2CCN(c3nc4ccccc4nc3Cl)CC2)cc1 ZINC000009418808 1398858282 /nfs/dbraw/zinc/85/82/82/1398858282.db2.gz NLGYIRGJXUBSAT-UHFFFAOYSA-N 0 0 382.851 3.254 50 0 GGAARN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](C(=O)NCc2ccncc2)C1 ZINC000009422837 1398858291 /nfs/dbraw/zinc/85/82/91/1398858291.db2.gz QJLIPZBOPDMDOD-IBGZPJMESA-N 0 0 390.487 3.051 50 0 GGAARN CCc1ccccc1NC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000009420075 1398858317 /nfs/dbraw/zinc/85/83/17/1398858317.db2.gz FYODQLCOCIDQQR-IBGZPJMESA-N 0 0 395.459 3.097 50 0 GGAARN c1nc2nc(Nc3ccc4c(c3)OCO4)nc(Nc3ccc4c(c3)OCO4)c2[nH]1 ZINC000009423128 1398858409 /nfs/dbraw/zinc/85/84/09/1398858409.db2.gz SVNHRCNZZFNNBX-UHFFFAOYSA-N 0 0 390.359 3.298 50 0 GGAARN COC(=O)c1ccc(NC(=O)Cc2c(C)c3ccc(OC)c(C)c3oc2=O)cc1 ZINC000009429846 1398858760 /nfs/dbraw/zinc/85/87/60/1398858760.db2.gz BPKNSBLPJZLWQL-UHFFFAOYSA-N 0 0 395.411 3.386 50 0 GGAARN COC[C@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000009489307 1398859539 /nfs/dbraw/zinc/85/95/39/1398859539.db2.gz GHCHUUOABBXONO-AOMKIAJQSA-N 0 0 398.528 3.268 50 0 GGAARN COC(=O)c1ccccc1NC(=O)CCCCCn1cnc2ccccc2c1=O ZINC000009486900 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/nfs/dbraw/zinc/04/95/09/1399049509.db2.gz LCKAOKOIWBEBLJ-IBGZPJMESA-N 0 0 382.851 3.024 50 0 GGAARN O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCN1Cc1ccc2c(c1)CCO2 ZINC000012705950 1399054927 /nfs/dbraw/zinc/05/49/27/1399054927.db2.gz UNULDZLAFJWPSF-OAQYLSRUSA-N 0 0 388.471 3.410 50 0 GGAARN Cc1cc(C)n(C[C@@H](C)NC(=O)c2cc(COc3ccc(F)c(F)c3)on2)n1 ZINC000012715876 1399055277 /nfs/dbraw/zinc/05/52/77/1399055277.db2.gz UVFHNFXQXMLFSE-GFCCVEGCSA-N 0 0 390.390 3.164 50 0 GGAARN CC(C)c1nc2cc(C(=O)N3CCNC(=O)[C@@H]3c3cccc(F)c3)ccc2o1 ZINC000012712051 1399055528 /nfs/dbraw/zinc/05/55/28/1399055528.db2.gz ZTTUJBLMMIESLK-SFHVURJKSA-N 0 0 381.407 3.404 50 0 GGAARN COc1cc2c(cc1OC)CN([C@H]1CCCN(C(=O)c3ccsc3)C1)CC2 ZINC000012713800 1399055752 /nfs/dbraw/zinc/05/57/52/1399055752.db2.gz NMVMWIYEQYEGDS-SFHVURJKSA-N 0 0 386.517 3.428 50 0 GGAARN COc1cc(OC)c2c(C)c(CC(=O)Nc3cccc([C@H](C)O)c3)c(=O)oc2c1 ZINC000012893208 1399064450 /nfs/dbraw/zinc/06/44/50/1399064450.db2.gz RJSIGTWMWXGVKI-ZDUSSCGKSA-N 0 0 397.427 3.353 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/nfs/dbraw/zinc/12/87/38/1399128738.db2.gz HSZSNCUSQJPUSQ-UHFFFAOYSA-N 0 0 382.435 3.030 50 0 GGAARN O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1Cc1ccc2nonc2c1 ZINC000014973514 1399129515 /nfs/dbraw/zinc/12/95/15/1399129515.db2.gz VVRFHVYIFOXGIY-FQEVSTJZSA-N 0 0 388.431 3.012 50 0 GGAARN Cc1c[nH]c(CNC(=O)c2coc(COc3cccc(C(F)(F)F)c3)n2)n1 ZINC000015062104 1399135735 /nfs/dbraw/zinc/13/57/35/1399135735.db2.gz UXYJUMKDBZBRJF-UHFFFAOYSA-N 0 0 380.326 3.234 50 0 GGAARN O=C(Cc1ccsc1)N1CC[C@@]2(C1)CCCN(CCc1ccccc1)C2=O ZINC000015064439 1399135802 /nfs/dbraw/zinc/13/58/02/1399135802.db2.gz ZSAZLMMHLIXICA-JOCHJYFZSA-N 0 0 382.529 3.374 50 0 GGAARN O=C(Nc1ccnn1C1CCN(C(=O)c2cc3ccccc3o2)CC1)C1CC1 ZINC000015075657 1399136790 /nfs/dbraw/zinc/13/67/90/1399136790.db2.gz OQEQURRCRQNJNW-UHFFFAOYSA-N 0 0 378.432 3.455 50 0 GGAARN CC(C)Cc1cc(CNC(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)on1 ZINC000015074932 1399136860 /nfs/dbraw/zinc/13/68/60/1399136860.db2.gz VPGKQPXZIMOXRH-KRWDZBQOSA-N 0 0 375.513 3.308 50 0 GGAARN 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/nfs/dbraw/zinc/33/79/62/1399337962.db2.gz SPQHDDBWNTXZAH-UHFFFAOYSA-N 0 0 376.464 3.331 50 0 GGAARN Cc1c[nH]c(CCNC(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)n1 ZINC000019744773 1399338307 /nfs/dbraw/zinc/33/83/07/1399338307.db2.gz SVOZRKNCTVITSX-UHFFFAOYSA-N 0 0 394.353 3.276 50 0 GGAARN OCC[C@H]1CN(Cc2ccc3ccccc3n2)CCN1Cc1ccc(F)cc1 ZINC000019795169 1399338560 /nfs/dbraw/zinc/33/85/60/1399338560.db2.gz NXRVPIFUPDVHRA-QFIPXVFZSA-N 0 0 379.479 3.443 50 0 GGAARN COc1c(C)cc(C(=O)[C@H]2CCCN(C(=O)CCc3cnccn3)C2)cc1C ZINC000019795167 1399338859 /nfs/dbraw/zinc/33/88/59/1399338859.db2.gz RPCIAWQPBKSYCK-KRWDZBQOSA-N 0 0 381.476 3.156 50 0 GGAARN CCCCc1nc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c[nH]1 ZINC000020119339 1399342883 /nfs/dbraw/zinc/34/28/83/1399342883.db2.gz JNOMPGRPDZYKIK-SFHVURJKSA-N 0 0 392.494 3.099 50 0 GGAARN COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC ZINC000020111782 1399343081 /nfs/dbraw/zinc/34/30/81/1399343081.db2.gz NOESGCLMTZTZJR-OAHLLOKOSA-N 0 0 399.443 3.243 50 0 biogenic 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/nfs/dbraw/zinc/34/73/77/1399347377.db2.gz FAOLDEOUOSFZHP-UHFFFAOYSA-N 0 0 384.443 3.152 50 0 GGAARN Cc1ccc(-n2cc(CN3CCN(C=O)CC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000020512928 1399347893 /nfs/dbraw/zinc/34/78/93/1399347893.db2.gz OVZVKIGNUXKOQD-UHFFFAOYSA-N 0 0 378.451 3.261 50 0 GGAARN Cc1nc(N(C)C)nc(-c2cccc(-c3ccn(Cc4cncn4C)n3)c2)c1C ZINC000020540639 1399348758 /nfs/dbraw/zinc/34/87/58/1399348758.db2.gz VLIWNIZPBXDCRY-UHFFFAOYSA-N 0 0 387.491 3.472 50 0 GGAARN COc1c2c(cc3c1[C@@H](c1nncn1-c1ccc(C)c(C)c1)N(C)CC3)OCO2 ZINC000020609777 1399350049 /nfs/dbraw/zinc/35/00/49/1399350049.db2.gz SHPVQSVEQPYVOK-IBGZPJMESA-N 0 0 392.459 3.199 50 0 biogenic GGAARN O=C(NCCc1ccccn1)c1ccc([C@H]2CCCN2Cc2c[nH]cn2)s1 ZINC000020602031 1399350076 /nfs/dbraw/zinc/35/00/76/1399350076.db2.gz XHUWDCHDHYJCEY-QGZVFWFLSA-N 0 0 381.505 3.176 50 0 GGAARN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000020601694 1399350182 /nfs/dbraw/zinc/35/01/82/1399350182.db2.gz NGXBSKKISLTMOR-AWEZNQCLSA-N 0 0 382.869 3.228 50 0 GGAARN CCOC(=O)C[C@@H]1COCCN1Cc1nc(-c2ccc(OC)c(C)c2)oc1C ZINC000020775559 1399353008 /nfs/dbraw/zinc/35/30/08/1399353008.db2.gz QGDIDPQBGFCMRM-QGZVFWFLSA-N 0 0 388.464 3.121 50 0 GGAARN COc1ccc2[nH]cc(CCNC(=O)Cc3cnc(-n4cccc4)s3)c2c1 ZINC000020762713 1399353142 /nfs/dbraw/zinc/35/31/42/1399353142.db2.gz BJPCQAXPBBVOTD-UHFFFAOYSA-N 0 0 380.473 3.325 50 0 biogenic GGAARN Cc1nc(-c2ccccc2)[nH]c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020854807 1399354836 /nfs/dbraw/zinc/35/48/36/1399354836.db2.gz APRUAAVZDGUIHO-UHFFFAOYSA-N 0 0 390.487 3.432 50 0 GGAARN Nc1ncc(CN2CCc3ccc(NC(=O)C4(c5ccccc5)CC4)cc3C2)cn1 ZINC000020907618 1399356552 /nfs/dbraw/zinc/35/65/52/1399356552.db2.gz AIAZJRVBUPQDHU-UHFFFAOYSA-N 0 0 399.498 3.287 50 0 GGAARN CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(N(C)[C@H]2CCOC2)nc1 ZINC000020907410 1399356990 /nfs/dbraw/zinc/35/69/90/1399356990.db2.gz PFKWIDJHXZLGDD-IBGZPJMESA-N 0 0 376.460 3.127 50 0 GGAARN Cc1[nH]n(Cc2cccc(C)c2)c2nc(-c3ccc(S(C)(=O)=O)cc3)nc1-2 ZINC000020919252 1399357681 /nfs/dbraw/zinc/35/76/81/1399357681.db2.gz GLPHBCMFTSHZOU-UHFFFAOYSA-N 0 0 380.473 3.495 50 0 GGAARN COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C)C(=S)N21 ZINC000022018248 1399432506 /nfs/dbraw/zinc/43/25/06/1399432506.db2.gz JSSPQFURAYECJQ-QFBILLFUSA-N 0 0 377.469 3.250 50 0 GGAARN Cc1ccc(S(=O)(=O)N2N=C3[C@H]([C@@H]2c2ccc(F)cc2)N2CCC3CC2)cc1 ZINC000022342400 1399455176 /nfs/dbraw/zinc/45/51/76/1399455176.db2.gz SDKKHERCOUTTQW-LEWJYISDSA-N 0 0 399.491 3.330 50 0 GGAARN CN1c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2OCC(C)(C)C1=O ZINC000022508281 1399470829 /nfs/dbraw/zinc/47/08/29/1399470829.db2.gz AXYUQVRFFZBVBQ-UHFFFAOYSA-N 0 0 383.404 3.441 50 0 GGAARN CN1CCN(CC(=O)N2CCC[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 ZINC000022574465 1399479412 /nfs/dbraw/zinc/47/94/12/1399479412.db2.gz VOODNQUNWPBOKM-FQEVSTJZSA-N 0 0 399.485 3.471 50 0 GGAARN CC(C)CCN(C)C(=O)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 ZINC000022913588 1399516704 /nfs/dbraw/zinc/51/67/04/1399516704.db2.gz IINLEWMCBLFHGD-UHFFFAOYSA-N 0 0 384.524 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/nfs/dbraw/zinc/80/74/26/1409807426.db2.gz WWSFEODIIIKTSU-INIZCTEOSA-N 0 0 380.366 3.111 50 0 GGAARN COc1cc(/C=C/C(=O)NC[C@@](O)(c2ccccc2)C2CC2)cc(OC)c1OC ZINC000070967286 1409807830 /nfs/dbraw/zinc/80/78/30/1409807830.db2.gz IOKFMQJATRNTNT-JYLQPTBZSA-N 0 0 397.471 3.140 50 0 GGAARN Cc1ccc(C)c2sc(N(C)CC(=O)NCc3ccc4c(c3)OCO4)nc21 ZINC000070973820 1409808911 /nfs/dbraw/zinc/80/89/11/1409808911.db2.gz YIRWCRBSINDFRI-UHFFFAOYSA-N 0 0 383.473 3.394 50 0 GGAARN COc1cccc2sc(N(C)CC(=O)NCc3c(F)cccc3F)nc21 ZINC000070973396 1409808971 /nfs/dbraw/zinc/80/89/71/1409808971.db2.gz GJEYQDFUQUPUKE-UHFFFAOYSA-N 0 0 377.416 3.336 50 0 GGAARN CCN1C[C@@]2(CCCN(C(=O)CCc3nc4c(ccc(C)c4C)[nH]3)C2)CCC1=O ZINC000072411503 1409849906 /nfs/dbraw/zinc/84/99/06/1409849906.db2.gz BFECYSQFDWHXDU-HSZRJFAPSA-N 0 0 396.535 3.363 50 0 GGAARN CCOc1cc(C(=O)NCc2cnn3ccccc23)cc(OCC)c1OCC ZINC000077100066 1409893041 /nfs/dbraw/zinc/89/30/41/1409893041.db2.gz OKJUNDARLDYIFD-UHFFFAOYSA-N 0 0 383.448 3.460 50 0 GGAARN O=C(Nc1ccc(F)cc1F)N[C@H]1CCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000077100829 1409893307 /nfs/dbraw/zinc/89/33/07/1409893307.db2.gz YIRXIOPKBWFKJJ-HNNXBMFYSA-N 0 0 399.401 3.411 50 0 GGAARN COc1ccc(F)cc1S(=O)(=O)NCC[C@H](O)c1cccc2ccccc21 ZINC000077117896 1409893360 /nfs/dbraw/zinc/89/33/60/1409893360.db2.gz JAYXLMAYQRJOLR-SFHVURJKSA-N 0 0 389.448 3.390 50 0 GGAARN COC(=O)c1ccc(Cn2cccc(-c3nc(-c4ccsc4)no3)c2=O)o1 ZINC000077100857 1409893389 /nfs/dbraw/zinc/89/33/89/1409893389.db2.gz DWDDLGHALHUDII-UHFFFAOYSA-N 0 0 383.385 3.055 50 0 GGAARN C[C@@H](NC(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1)c1ccccc1 ZINC000077100435 1409893409 /nfs/dbraw/zinc/89/34/09/1409893409.db2.gz IQJULPQLVSKELB-LLVKDONJSA-N 0 0 377.326 3.052 50 0 GGAARN COc1ccc(C)cc1S(=O)(=O)NCCN1CCC(c2cccs2)CC1 ZINC000077104168 1409893424 /nfs/dbraw/zinc/89/34/24/1409893424.db2.gz IXEVXYNFZDKPDM-UHFFFAOYSA-N 0 0 394.562 3.223 50 0 GGAARN O=C(NCCNc1ccc(-n2cccc2)nn1)c1ccccc1C(F)(F)F ZINC000077101365 1409893455 /nfs/dbraw/zinc/89/34/55/1409893455.db2.gz RJXSZIIVLABRFI-UHFFFAOYSA-N 0 0 375.354 3.128 50 0 GGAARN O=c1c(-c2nc(C3CC3)no2)cccn1Cc1nc(-c2ccccc2F)no1 ZINC000077100836 1409893494 /nfs/dbraw/zinc/89/34/94/1409893494.db2.gz UICJWTQTBUIOFZ-UHFFFAOYSA-N 0 0 379.351 3.013 50 0 GGAARN O=C(NCC[C@H](O)c1cccc2ccccc21)C(=O)Nc1ccc(F)c(F)c1 ZINC000077118479 1409893527 /nfs/dbraw/zinc/89/35/27/1409893527.db2.gz OBVXWCPHQSXIBO-IBGZPJMESA-N 0 0 384.382 3.296 50 0 GGAARN C[C@H](NC(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1)c1ccccc1 ZINC000077100434 1409893583 /nfs/dbraw/zinc/89/35/83/1409893583.db2.gz IQJULPQLVSKELB-NSHDSACASA-N 0 0 377.326 3.052 50 0 GGAARN COC(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)NCc1c(F)cccc1F ZINC000077200047 1409894084 /nfs/dbraw/zinc/89/40/84/1409894084.db2.gz OWWYOLUFPYMRBD-QGZVFWFLSA-N 0 0 378.350 3.086 50 0 GGAARN O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1coc(NC(=O)c2cnccn2)n1 ZINC000077196585 1409894098 /nfs/dbraw/zinc/89/40/98/1409894098.db2.gz WWGAXRGPTFAYFK-UHFFFAOYSA-N 0 0 395.272 3.127 50 0 GGAARN Cc1nnsc1C(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1 ZINC000077200347 1409894176 /nfs/dbraw/zinc/89/41/76/1409894176.db2.gz OYUSWIVDXCXYNY-KGLIPLIRSA-N 0 0 378.429 3.275 50 0 GGAARN Cc1cc(C)n(-c2ccc(C(=O)NCc3csc(-c4ccccc4)n3)nn2)n1 ZINC000077197155 1409894204 /nfs/dbraw/zinc/89/42/04/1409894204.db2.gz IOEKWKOSLCIXHH-UHFFFAOYSA-N 0 0 390.472 3.333 50 0 GGAARN C[C@](O)(CNC(=O)C(=O)NCc1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000077184306 1409894242 /nfs/dbraw/zinc/89/42/42/1409894242.db2.gz LHAYILMEGQOUJR-QFIPXVFZSA-N 0 0 394.496 3.055 50 0 GGAARN CCOC(=O)CCC(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1 ZINC000077200283 1409894275 /nfs/dbraw/zinc/89/42/75/1409894275.db2.gz TUFYRDCGDNDYPQ-CVEARBPZSA-N 0 0 380.416 3.145 50 0 GGAARN CCOc1ccc(C(=O)NC[C@](C)(O)Cc2ccc(OC)cc2)cc1OCC ZINC000077184748 1409894312 /nfs/dbraw/zinc/89/43/12/1409894312.db2.gz UQMVPYRSYQEEKT-JOCHJYFZSA-N 0 0 387.476 3.216 50 0 GGAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1COC2(CCCCC2)O1 ZINC000077200692 1409894747 /nfs/dbraw/zinc/89/47/47/1409894747.db2.gz CZMWTRQWTRECRX-OAHLLOKOSA-N 0 0 393.427 3.201 50 0 GGAARN CCCc1cc(=O)oc2c(C)c(OCC(=O)NCCc3ccccn3)ccc12 ZINC000079192400 1409962281 /nfs/dbraw/zinc/96/22/81/1409962281.db2.gz VEAPXTWOVUXUBU-UHFFFAOYSA-N 0 0 380.444 3.187 50 0 biogenic GGAARN CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCc3ccccn3)c12 ZINC000079192249 1409962295 /nfs/dbraw/zinc/96/22/95/1409962295.db2.gz LVFYFMYAMMBTGW-UHFFFAOYSA-N 0 0 380.444 3.187 50 0 biogenic GGAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(OC)cc(OC)c1 ZINC000079188911 1409962706 /nfs/dbraw/zinc/96/27/06/1409962706.db2.gz QASRVHIBGLOHSF-XLIONFOSSA-N 0 0 396.395 3.266 50 0 biogenic GGAARN COC(=O)c1nc(NC(=O)[C@H](C)N2Cc3ccccc3C2=O)sc1C(C)C ZINC000079482490 1409977297 /nfs/dbraw/zinc/97/72/97/1409977297.db2.gz BIBICEAWPBGTKK-NSHDSACASA-N 0 0 387.461 3.036 50 0 GGAARN COc1ccccc1-n1cc(C(=O)NCCc2ccccn2)c2ccccc2c1=O ZINC000079487084 1409977857 /nfs/dbraw/zinc/97/78/57/1409977857.db2.gz KJBBJWMDZSZUHT-UHFFFAOYSA-N 0 0 399.450 3.367 50 0 GGAARN O=c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)occ1O ZINC000079486072 1409978484 /nfs/dbraw/zinc/97/84/84/1409978484.db2.gz UBDNDORTDLTMEF-UHFFFAOYSA-N 0 0 376.456 3.253 50 0 GGAARN Cc1ccc(S(=O)(=O)n2ccc3nc(NC(=O)OC(C)(C)C)cnc32)cc1 ZINC000088346974 1410048694 /nfs/dbraw/zinc/04/86/94/1410048694.db2.gz NTMJGYRFMXFNIC-UHFFFAOYSA-N 0 0 388.449 3.324 50 0 GGAARN O=C(c1ccc2c(c1)OCO2)N1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000090678314 1410066420 /nfs/dbraw/zinc/06/64/20/1410066420.db2.gz FNSAJPMCTMPUAK-UHFFFAOYSA-N 0 0 377.400 3.042 50 0 GGAARN O=C(Cc1noc2ccccc12)N1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000090678239 1410066537 /nfs/dbraw/zinc/06/65/37/1410066537.db2.gz ZGMKHOYPSASMSG-UHFFFAOYSA-N 0 0 388.427 3.384 50 0 GGAARN Cc1ccc(S(=O)(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)cc1C ZINC000090678806 1410066581 /nfs/dbraw/zinc/06/65/81/1410066581.db2.gz OQLXXPGDXVQTSP-UHFFFAOYSA-N 0 0 397.500 3.479 50 0 GGAARN O=C(COc1ccc(F)cc1)N1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000090678388 1410066725 /nfs/dbraw/zinc/06/67/25/1410066725.db2.gz MLGMXKCDPCITPP-UHFFFAOYSA-N 0 0 381.407 3.218 50 0 GGAARN CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000090712047 1410066939 /nfs/dbraw/zinc/06/69/39/1410066939.db2.gz QRJOQYLXZPQQMX-JEAKANRDSA-N 0 0 390.520 3.317 50 0 GGAARN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000092001578 1410096615 /nfs/dbraw/zinc/09/66/15/1410096615.db2.gz JIIRAXGPAXDKJM-FQEVSTJZSA-N 0 0 380.492 3.412 50 0 GGAARN Cc1ccc(NS(=O)(=O)c2ccc3c4c2cccc4C(=O)NC3=O)cc1C ZINC000094993265 1410309146 /nfs/dbraw/zinc/30/91/46/1410309146.db2.gz YZAQYOUSWAFHQE-UHFFFAOYSA-N 0 0 380.425 3.141 50 0 GGAARN COC(=O)c1nc(NC(=O)[C@@H](C)N2Cc3ccccc3C2=O)sc1C(C)C ZINC000095476462 1410313924 /nfs/dbraw/zinc/31/39/24/1410313924.db2.gz BIBICEAWPBGTKK-LLVKDONJSA-N 0 0 387.461 3.036 50 0 GGAARN CC(C)n1cnc2ccc(NC(=O)c3ccc4c(c3)OCCCO4)cc2c1=O ZINC000095476285 1410314078 /nfs/dbraw/zinc/31/40/78/1410314078.db2.gz SMQKAFDZAGMGJT-UHFFFAOYSA-N 0 0 379.416 3.391 50 0 GGAARN COC(=O)c1nc(NC(=O)c2n[nH]c3c2CCC3)sc1CCc1ccccc1 ZINC000095480708 1410314479 /nfs/dbraw/zinc/31/44/79/1410314479.db2.gz YCHYRBAYJDEKCA-UHFFFAOYSA-N 0 0 396.472 3.179 50 0 GGAARN O=C(c1cc2ccccc2oc1=O)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000096025578 1410322797 /nfs/dbraw/zinc/32/27/97/1410322797.db2.gz UUVLEDVCOSHECV-QFIPXVFZSA-N 0 0 375.380 3.043 50 0 GGAARN Cc1nc(N2CCN(CCCOc3ccc4ccc(=O)oc4c3)CC2)sc1C ZINC000096028224 1410322819 /nfs/dbraw/zinc/32/28/19/1410322819.db2.gz YFMFMXNYELVVQC-UHFFFAOYSA-N 0 0 399.516 3.457 50 0 GGAARN O=C1C[C@]2(CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)Oc2ccccc21 ZINC000096025598 1410322932 /nfs/dbraw/zinc/32/29/32/1410322932.db2.gz XCDWIXHHDNJSSD-SFHVURJKSA-N 0 0 395.839 3.278 50 0 GGAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000096099620 1410323243 /nfs/dbraw/zinc/32/32/43/1410323243.db2.gz SQOFOFYEXHCHKT-UHFFFAOYSA-N 0 0 398.484 3.255 50 0 GGAARN O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC(S(=O)(=O)C2CCCCC2)C1 ZINC000096104349 1410323251 /nfs/dbraw/zinc/32/32/51/1410323251.db2.gz YVCQMSMDUHHJEL-UHFFFAOYSA-N 0 0 390.480 3.393 50 0 GGAARN COc1ccc(S(=O)(=O)NCC[C@@H](O)c2cc3ccccc3o2)cc1C ZINC000096097288 1410323272 /nfs/dbraw/zinc/32/32/72/1410323272.db2.gz XJPOXCZPFKMLCT-MRXNPFEDSA-N 0 0 375.446 3.152 50 0 GGAARN COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc(OCC(C)C)cc2)o1 ZINC000096114732 1410323299 /nfs/dbraw/zinc/32/32/99/1410323299.db2.gz DMNWGZYFWOGUGH-KRWDZBQOSA-N 0 0 390.432 3.222 50 0 biogenic GGAARN O=C(NCCn1ccc(-c2ccccn2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000096098912 1410323340 /nfs/dbraw/zinc/32/33/40/1410323340.db2.gz TXIVYJUCTGWASP-UHFFFAOYSA-N 0 0 376.338 3.274 50 0 GGAARN Cn1nc(CNC(=O)C2c3ccccc3Oc3ccccc32)c2c1CCOC2 ZINC000096104013 1410323366 /nfs/dbraw/zinc/32/33/66/1410323366.db2.gz LTKWYJGOLYPLIB-UHFFFAOYSA-N 0 0 375.428 3.047 50 0 GGAARN Cn1cc([C@@H](O)CNS(=O)(=O)c2cccc3ccccc32)c2ccccc21 ZINC000096096495 1410323406 /nfs/dbraw/zinc/32/34/06/1410323406.db2.gz NUHVSALATVUZMR-FQEVSTJZSA-N 0 0 380.469 3.343 50 0 GGAARN O=C(Cc1c(F)cccc1Cl)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000096099407 1410323415 /nfs/dbraw/zinc/32/34/15/1410323415.db2.gz PBZJARNLISGQJV-UHFFFAOYSA-N 0 0 395.883 3.487 50 0 GGAARN O=C(NCCn1nc(-c2cccs2)n(C2CC2)c1=O)Nc1ccc(F)cc1 ZINC000096096662 1410323444 /nfs/dbraw/zinc/32/34/44/1410323444.db2.gz ROWOQJFMTGTFTC-UHFFFAOYSA-N 0 0 387.440 3.069 50 0 GGAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000096104167 1410323505 /nfs/dbraw/zinc/32/35/05/1410323505.db2.gz IWBSBMWVFYFSPC-KPKJPENVSA-N 0 0 385.485 3.173 50 0 GGAARN Cn1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cn1 ZINC000096115599 1410323709 /nfs/dbraw/zinc/32/37/09/1410323709.db2.gz QKLHVXCYWMMXPO-YLJYHZDGSA-N 0 0 387.395 3.058 50 0 biogenic GGAARN Cn1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cn1 ZINC000096115690 1410323728 /nfs/dbraw/zinc/32/37/28/1410323728.db2.gz VGGWWVLQZNUTMR-CQSZACIVSA-N 0 0 388.379 3.340 50 0 biogenic GGAARN COC(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)c1oc(C)cc(=O)c1O ZINC000096116016 1410323761 /nfs/dbraw/zinc/32/37/61/1410323761.db2.gz VRQOZLLKRIYXGY-CQSZACIVSA-N 0 0 376.405 3.145 50 0 biogenic GGAARN COC(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)c1oc(C)cc(=O)c1O ZINC000096116015 1410323861 /nfs/dbraw/zinc/32/38/61/1410323861.db2.gz VRQOZLLKRIYXGY-AWEZNQCLSA-N 0 0 376.405 3.145 50 0 biogenic GGAARN COc1ccc2c(C)c(CCC(=O)NCC(=O)c3ccccc3)c(=O)oc2c1C ZINC000096114913 1410323933 /nfs/dbraw/zinc/32/39/33/1410323933.db2.gz APLLFGOWQZRJCB-UHFFFAOYSA-N 0 0 393.439 3.350 50 0 biogenic GGAARN COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1ccccc1)c1ccc(O)c(OC)c1 ZINC000096116110 1410323970 /nfs/dbraw/zinc/32/39/70/1410323970.db2.gz IUJNELQRKNPPQP-OAHLLOKOSA-N 0 0 382.416 3.115 50 0 biogenic GGAARN Cc1cccc(CS(=O)(=O)NCCn2nc(-c3ccccn3)cc2C2CC2)c1 ZINC000096121746 1410324281 /nfs/dbraw/zinc/32/42/81/1410324281.db2.gz MNARAHMJQQKLPS-UHFFFAOYSA-N 0 0 396.516 3.251 50 0 GGAARN CC(=O)c1cccc(NC(=O)Cn2nc(-n3ccc4ccccc43)ccc2=O)c1 ZINC000096119949 1410324383 /nfs/dbraw/zinc/32/43/83/1410324383.db2.gz JRXNQUUZDKOMEN-UHFFFAOYSA-N 0 0 386.411 3.029 50 0 GGAARN CN(C)c1cccc(C(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)c1 ZINC000096121448 1410324392 /nfs/dbraw/zinc/32/43/92/1410324392.db2.gz GTERJLLRLRNMPZ-UHFFFAOYSA-N 0 0 389.503 3.320 50 0 GGAARN COC(=O)c1ccc(C(=O)NCCn2nc(-c3ccccn3)cc2C2CC2)cc1 ZINC000096121719 1410324446 /nfs/dbraw/zinc/32/44/46/1410324446.db2.gz HPPPARMLHGSMDK-UHFFFAOYSA-N 0 0 390.443 3.039 50 0 GGAARN O=C(NCCn1nc(-c2ccccn2)c2c1CCCC2)NCc1ccc(F)cc1 ZINC000096121522 1410324474 /nfs/dbraw/zinc/32/44/74/1410324474.db2.gz SUSWXILIUUQJTO-UHFFFAOYSA-N 0 0 393.466 3.462 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@](C)(OC)c1ccccc1F ZINC000096123637 1410324511 /nfs/dbraw/zinc/32/45/11/1410324511.db2.gz CCVNABCFGARMKT-LJQANCHMSA-N 0 0 394.830 3.104 50 0 GGAARN O=C(COc1ccc(F)cc1)NCCn1nc(-c2ccncc2)cc1C1CC1 ZINC000096121654 1410324558 /nfs/dbraw/zinc/32/45/58/1410324558.db2.gz XGKSKRWMGWOFDF-UHFFFAOYSA-N 0 0 380.423 3.157 50 0 GGAARN O=C(NCc1ccc(C(=O)c2ccsc2)s1)[C@@H]1COc2ccccc2O1 ZINC000096119835 1410324571 /nfs/dbraw/zinc/32/45/71/1410324571.db2.gz TVQHBQRCDIKOKA-INIZCTEOSA-N 0 0 385.466 3.497 50 0 GGAARN CC(C)(C)S[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000096120046 1410324583 /nfs/dbraw/zinc/32/45/83/1410324583.db2.gz KMUWMUZHEWOICJ-INIZCTEOSA-N 0 0 396.578 3.217 50 0 GGAARN O=C(CCN1CCOCC1)N1N=C(c2ccco2)C[C@H]1c1cccc(Cl)c1 ZINC000096118932 1410324612 /nfs/dbraw/zinc/32/46/12/1410324612.db2.gz BDYLUJFVUJMVNF-SFHVURJKSA-N 0 0 387.867 3.333 50 0 GGAARN CN(C)c1cccc(C(=O)NCCn2nc(-c3ccccn3)c3c2CCCC3)c1 ZINC000096121491 1410324664 /nfs/dbraw/zinc/32/46/64/1410324664.db2.gz DWALEBHSIALMMZ-UHFFFAOYSA-N 0 0 389.503 3.320 50 0 GGAARN Cc1ccc([C@H](CNC(=O)c2ccc(OC(F)(F)F)cc2)OCCO)cc1 ZINC000096337909 1410327615 /nfs/dbraw/zinc/32/76/15/1410327615.db2.gz MCOFZXOGMQVPNV-KRWDZBQOSA-N 0 0 383.366 3.374 50 0 GGAARN COc1ccc(C)cc1NC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n1C ZINC000096347446 1410328014 /nfs/dbraw/zinc/32/80/14/1410328014.db2.gz SDPKMZSZSGDSGV-UHFFFAOYSA-N 0 0 376.416 3.064 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n1C ZINC000096347453 1410328208 /nfs/dbraw/zinc/32/82/08/1410328208.db2.gz IAYMUBVZWVZELJ-UHFFFAOYSA-N 0 0 396.834 3.409 50 0 GGAARN CN1CCc2cc([C@@H](O)CNC(=O)c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000096362525 1410328334 /nfs/dbraw/zinc/32/83/34/1410328334.db2.gz PBYUMKWYVPGXMI-KRWDZBQOSA-N 0 0 380.366 3.041 50 0 GGAARN CCOc1ccccc1NC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n1C ZINC000096347401 1410328340 /nfs/dbraw/zinc/32/83/40/1410328340.db2.gz XRMNSCBHTYRNGS-UHFFFAOYSA-N 0 0 376.416 3.146 50 0 GGAARN CS(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCc2ccccc2)c1 ZINC000096375398 1410329757 /nfs/dbraw/zinc/32/97/57/1410329757.db2.gz ALHVPVCKCSRJQG-PMSBKCLSSA-N 0 0 399.512 3.446 50 0 GGAARN COc1ccc(S(=O)(=O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000096376425 1410329909 /nfs/dbraw/zinc/32/99/09/1410329909.db2.gz RWWLDOYKBNQUEA-UHFFFAOYSA-N 0 0 388.489 3.474 50 0 GGAARN COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)OC)c1 ZINC000096390539 1410330380 /nfs/dbraw/zinc/33/03/80/1410330380.db2.gz YYSBDPYGRXKOQV-QGZVFWFLSA-N 0 0 376.840 3.099 50 0 GGAARN COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)OC)c1 ZINC000096390574 1410330890 /nfs/dbraw/zinc/33/08/90/1410330890.db2.gz RXHQNNURXGKEHF-MRXNPFEDSA-N 0 0 396.365 3.156 50 0 GGAARN O=C(c1cccc(Cl)c1)N1CCC[C@@]2(C1)NC(=O)N(Cc1ccccc1)C2=O ZINC000097161330 1410355902 /nfs/dbraw/zinc/35/59/02/1410355902.db2.gz IAGKQAVVLARIAQ-NRFANRHFSA-N 0 0 397.862 3.067 50 0 GGAARN O=C(OCC1CCC(COC(=O)[C@@H]2CC[C@@H]3O[C@@H]3C2)CC1)[C@@H]1CC[C@@H]2O[C@@H]2C1 ZINC000114381789 1412424415 /nfs/dbraw/zinc/42/44/15/1412424415.db2.gz NRJLSUZLHMXXHJ-XQVQLPFCSA-N 0 0 392.492 3.014 50 0 GGAARN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cnc2ccccn2c1=O ZINC000130049351 1416308277 /nfs/dbraw/zinc/30/82/77/1416308277.db2.gz HPCXMANDSKNELZ-QGZVFWFLSA-N 0 0 375.428 3.261 50 0 GGAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3C)c12 ZINC000130594531 1416406326 /nfs/dbraw/zinc/40/63/26/1416406326.db2.gz XIMGDBFGOBEXNF-UHFFFAOYSA-N 0 0 391.475 3.382 50 0 GGAARN Cc1cccc(NC(=O)c2c(O)c3c(n(Cc4ccco4)c2=O)CCCC3)n1 ZINC000135747816 1417264247 /nfs/dbraw/zinc/26/42/47/1417264247.db2.gz XCZUCYHZLQYHPE-UHFFFAOYSA-N 0 0 379.416 3.030 50 0 GGAARN c1oc(-c2ccccc2)nc1CNCc1cccc(OCCN2CCOCC2)c1 ZINC000155669695 1423478314 /nfs/dbraw/zinc/47/83/14/1423478314.db2.gz XITOQHKKDPRRRB-UHFFFAOYSA-N 0 0 393.487 3.342 50 0 GGAARN O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@H+](CCc2nnn[n-]2)C1 ZINC000071738691 1424595443 /nfs/dbraw/zinc/59/54/43/1424595443.db2.gz BTNANUHWPVMISU-KRWDZBQOSA-N 0 0 377.448 3.129 50 0 GGAARN Cc1ccc(C)c(NC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)c1 ZINC000169768638 1425250453 /nfs/dbraw/zinc/25/04/53/1425250453.db2.gz UYKSMVGPKFZHDT-UHFFFAOYSA-N 0 0 381.505 3.460 50 0 GGAARN Cc1ccc(NC(=O)c2cc3c(N4CCSCC4)nc(C)cn3n2)c(F)c1 ZINC000169768671 1425250685 /nfs/dbraw/zinc/25/06/85/1425250685.db2.gz FGLUCXZUGMFUNZ-UHFFFAOYSA-N 0 0 385.468 3.291 50 0 GGAARN Cc1cc2nc3n(c(=O)c2n1CC(=O)Nc1cccc(C)c1C)CCCCC3 ZINC000169779270 1425254963 /nfs/dbraw/zinc/25/49/63/1425254963.db2.gz CDLNOKQABMLDHR-UHFFFAOYSA-N 0 0 378.476 3.488 50 0 GGAARN CCNC(=O)c1ccc(C)c(NC(=O)Cc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000173539624 1426714721 /nfs/dbraw/zinc/71/47/21/1426714721.db2.gz RXNUQUUUWHSZFZ-UHFFFAOYSA-N 0 0 379.460 3.274 50 0 GGAARN CN(C)CC(=O)Nc1ccc(NC(=O)Cc2ccccc2C(F)(F)F)cc1 ZINC000175107089 1427549962 /nfs/dbraw/zinc/54/99/62/1427549962.db2.gz CZFULLWALXMQQN-UHFFFAOYSA-N 0 0 379.382 3.387 50 0 GGAARN O=c1[nH]c2ccc(CNc3nccc(-c4cnn(-c5ccccc5)c4)n3)cc2[nH]1 ZINC000199303494 1433352838 /nfs/dbraw/zinc/35/28/38/1433352838.db2.gz GURYXPZKQGUGKW-UHFFFAOYSA-N 0 0 383.415 3.111 50 0 GGAARN Cc1nn(C)cc1[C@@H](C)NC(=O)CCN1Cc2cc(Cl)ccc2O[C@@H](C)C1 ZINC000216197462 1433363060 /nfs/dbraw/zinc/36/30/60/1433363060.db2.gz VOHQCJLYRYEWAJ-UONOGXRCSA-N 0 0 390.915 3.232 50 0 GGAARN COc1ccc2ccccc2c1CCC(=O)N1CC[C@H](N2C(=O)CSC2=O)C1 ZINC000217783999 1433364564 /nfs/dbraw/zinc/36/45/64/1433364564.db2.gz FDBZTODRWUFKHK-HNNXBMFYSA-N 0 0 398.484 3.077 50 0 GGAARN O=C(c1cccc(-n2cnnn2)c1)N1CCS[C@H](c2ccccc2F)CC1 ZINC000219071950 1433365263 /nfs/dbraw/zinc/36/52/63/1433365263.db2.gz NBAZSTBWQDQSNB-SFHVURJKSA-N 0 0 383.452 3.122 50 0 GGAARN COc1ccc(Cl)cc1C(=O)N1CCC(Oc2cc(C)oc(=O)c2)CC1 ZINC000218952380 1433365272 /nfs/dbraw/zinc/36/52/72/1433365272.db2.gz XUAYSQNPLPPLBO-UHFFFAOYSA-N 0 0 377.824 3.294 50 0 GGAARN O=C(Cn1ccc2ccc(Cl)cc21)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000225427023 1433367187 /nfs/dbraw/zinc/36/71/87/1433367187.db2.gz YTUNHWJMAHQXNT-ZBFHGGJFSA-N 0 0 381.863 3.102 50 0 biogenic GGAARN O=C(Nc1cccc(OC(F)(F)F)c1)c1cn(C[C@@H](O)c2ccsc2)nn1 ZINC000225582844 1433367281 /nfs/dbraw/zinc/36/72/81/1433367281.db2.gz PSTJHMSRJMUZKB-CQSZACIVSA-N 0 0 398.366 3.224 50 0 GGAARN Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)c1nc2ccccc2s1 ZINC000225582281 1433367289 /nfs/dbraw/zinc/36/72/89/1433367289.db2.gz MUVHYFPMFKPOCE-UHFFFAOYSA-N 0 0 377.473 3.466 50 0 GGAARN Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)CSc1ccc(F)cc1 ZINC000225582312 1433367291 /nfs/dbraw/zinc/36/72/91/1433367291.db2.gz VLKNXHAHWMSDCK-UHFFFAOYSA-N 0 0 384.480 3.474 50 0 GGAARN CC[C@H](NC(=O)c1cn(C[C@@H](O)c2ccccc2F)nn1)c1ccc(OC)cc1 ZINC000225582185 1433367300 /nfs/dbraw/zinc/36/73/00/1433367300.db2.gz YOUSNVCIKDCLOM-AZUAARDMSA-N 0 0 398.438 3.041 50 0 GGAARN Cc1cc(C)n(-c2ccc(CCC(=O)NCCNC(=O)OC(C)(C)C)cc2)n1 ZINC000225605397 1433367314 /nfs/dbraw/zinc/36/73/14/1433367314.db2.gz VHCYHAVQITYABE-UHFFFAOYSA-N 0 0 386.496 3.063 50 0 GGAARN Cc1cc(C)n(-c2ccc(CCC(=O)NCc3ccnc(N(C)C)c3)cc2)n1 ZINC000225605779 1433367335 /nfs/dbraw/zinc/36/73/35/1433367335.db2.gz DMWOHBLAPBHYAF-UHFFFAOYSA-N 0 0 377.492 3.199 50 0 GGAARN O=S(=O)(NCc1cccnc1-c1ccsc1)c1ccc2c(c1)OCCO2 ZINC000225649049 1433367451 /nfs/dbraw/zinc/36/74/51/1433367451.db2.gz UZRLVZNFPZMZGN-UHFFFAOYSA-N 0 0 388.470 3.060 50 0 GGAARN O=C(N1CC(n2cc(COc3ccccc3)nn2)C1)C1(c2ccc(F)cc2)CC1 ZINC000225628891 1433367475 /nfs/dbraw/zinc/36/74/75/1433367475.db2.gz LDKOLVQMQPORAA-UHFFFAOYSA-N 0 0 392.434 3.111 50 0 GGAARN O=C(N[C@H]1C[C@H]2C(=O)Nc3ccccc3N2C1)c1ccccc1C(F)(F)F ZINC000225627925 1433367494 /nfs/dbraw/zinc/36/74/94/1433367494.db2.gz RERBLUZTKMASJM-ZBEGNZNMSA-N 0 0 375.350 3.035 50 0 GGAARN COc1ccc(OC)c(S(=O)(=O)NCc2cncc(-c3cccs3)c2)c1 ZINC000225668845 1433367500 /nfs/dbraw/zinc/36/75/00/1433367500.db2.gz GTMRLMGBADOROK-UHFFFAOYSA-N 0 0 390.486 3.306 50 0 GGAARN CCOc1ccc(S(=O)(=O)N2CC[C@H](c3ccc4c(c3)OCO4)C2)cc1F ZINC000225678373 1433367504 /nfs/dbraw/zinc/36/75/04/1433367504.db2.gz YOYGKPSAQWQXPF-AWEZNQCLSA-N 0 0 393.436 3.131 50 0 GGAARN O=C(Cc1cccc2ccccc21)N[C@H](CN1C(=O)COC1=O)c1ccccc1 ZINC000225636854 1433367555 /nfs/dbraw/zinc/36/75/55/1433367555.db2.gz RBCQWBDDKYUGJQ-HXUWFJFHSA-N 0 0 388.423 3.219 50 0 GGAARN COc1cccc(N2C[C@@H](C(=O)Nc3sccc3-c3nc(C)no3)CC2=O)c1 ZINC000225659370 1433367571 /nfs/dbraw/zinc/36/75/71/1433367571.db2.gz DUCVSMCTHYRDFM-LBPRGKRZSA-N 0 0 398.444 3.107 50 0 GGAARN COc1cccc2cc(C(=O)NC[C@@H](O)c3csc4ccccc34)c(=O)oc21 ZINC000225693801 1433367675 /nfs/dbraw/zinc/36/76/75/1433367675.db2.gz GUAKCCXVNNKQHW-MRXNPFEDSA-N 0 0 395.436 3.480 50 0 GGAARN O=S(=O)(c1c(F)cccc1F)N1CCC(Oc2nc3ccccc3o2)CC1 ZINC000225680520 1433367722 /nfs/dbraw/zinc/36/77/22/1433367722.db2.gz RVZFJLDHSCWWII-UHFFFAOYSA-N 0 0 394.399 3.338 50 0 GGAARN COc1ccc2c(c1)CCC[C@@]2(O)CNS(=O)(=O)c1cccc(Cl)c1C ZINC000225712277 1433367770 /nfs/dbraw/zinc/36/77/70/1433367770.db2.gz HIGAAKAKQBUDAJ-LJQANCHMSA-N 0 0 395.908 3.159 50 0 GGAARN O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(O[C@@H]2CCOC2)nc1 ZINC000225710214 1433367790 /nfs/dbraw/zinc/36/77/90/1433367790.db2.gz UGJXDHZUNRHUGZ-OAHLLOKOSA-N 0 0 382.338 3.078 50 0 GGAARN CCOc1ccc(S(=O)(=O)NC[C@H](O)c2csc3ccccc32)cc1F ZINC000225696389 1433367796 /nfs/dbraw/zinc/36/77/96/1433367796.db2.gz XVVFDRRGAWFCDJ-INIZCTEOSA-N 0 0 395.477 3.451 50 0 GGAARN Cc1nc2ccccn2c1C(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225732087 1433367953 /nfs/dbraw/zinc/36/79/53/1433367953.db2.gz SKKQYUSQRLQRMN-AWEZNQCLSA-N 0 0 390.365 3.350 50 0 GGAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccnc(O[C@H]2CCSC2)c1 ZINC000225722508 1433368002 /nfs/dbraw/zinc/36/80/02/1433368002.db2.gz ROGQAKZXSAWLFP-SFHVURJKSA-N 0 0 385.489 3.055 50 0 GGAARN COc1ccc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cc1OC ZINC000225757951 1433368091 /nfs/dbraw/zinc/36/80/91/1433368091.db2.gz YSCKAWKGOMMAOD-UHFFFAOYSA-N 0 0 390.486 3.306 50 0 GGAARN O=C(Cc1cccc2ccccc21)N1CCN(c2cc3c(nn2)CCCC3)CC1 ZINC000225789973 1433368105 /nfs/dbraw/zinc/36/81/05/1433368105.db2.gz PTQPMTWMFAFOQU-UHFFFAOYSA-N 0 0 386.499 3.400 50 0 GGAARN O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)c1cccc2[nH]ccc21 ZINC000225794137 1433368109 /nfs/dbraw/zinc/36/81/09/1433368109.db2.gz GQEQYRYYEGKSSG-UHFFFAOYSA-N 0 0 375.476 3.236 50 0 GGAARN COC(=O)c1ccc(C(=O)N2C[C@H](c3nc(C)no3)[C@H](c3ccccc3)C2)cc1 ZINC000225806820 1433368187 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CNc1cc(C)nc(-c2ccc(C(=O)N3CCC([C@H](C)COC)CC3)cc2)n1 ZINC000426662272 529834705 /nfs/dbraw/zinc/83/47/05/529834705.db2.gz PKKJMBBXMKHNLH-OAHLLOKOSA-N 0 0 382.508 3.050 50 0 GGAARN CNC(=O)COc1ccc(-c2cccc(C(=O)N[C@@H](C)C(F)(F)F)c2)cc1 ZINC000426602566 529864907 /nfs/dbraw/zinc/86/49/07/529864907.db2.gz WAIHFRJBTHWLKQ-LBPRGKRZSA-N 0 0 380.366 3.159 50 0 GGAARN CN(CCO)C(=O)c1cccc(-c2ccc3c(c2)c2c(n3C)C(=O)CCC2)c1 ZINC000426535741 529919625 /nfs/dbraw/zinc/91/96/25/529919625.db2.gz XESJBAXVKUYPEP-UHFFFAOYSA-N 0 0 376.456 3.429 50 0 GGAARN CN(Cc1cc(-c2cccs2)n[nH]1)C(=O)NCc1[nH]nc2c1CCCCC2 ZINC000426589974 529975074 /nfs/dbraw/zinc/97/50/74/529975074.db2.gz MPKVVNFADSCQBL-UHFFFAOYSA-N 0 0 384.509 3.472 50 0 GGAARN O=C(Cc1csc(-c2ccccc2)n1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000225414681 222675476 /nfs/dbraw/zinc/67/54/76/222675476.db2.gz XFZQGXHTMPFFEZ-WBVHZDCISA-N 0 0 391.496 3.160 50 0 biogenic GGAARN CN(Cc1cnc2ccccn12)C(=O)NCCCN1CCCc2ccccc21 ZINC000426662039 530016160 /nfs/dbraw/zinc/01/61/60/530016160.db2.gz CEJBFZCKGKSWBG-UHFFFAOYSA-N 0 0 377.492 3.319 50 0 GGAARN CCc1ccc(S(=O)(=O)NC[C@@](O)(c2ccco2)c2cccs2)s1 ZINC000225589302 222685285 /nfs/dbraw/zinc/68/52/85/222685285.db2.gz CTKKVKWRBPRRBF-MRXNPFEDSA-N 0 0 383.516 3.179 50 0 GGAARN CCOc1ccc(S(=O)(=O)N[C@@H](c2cccnc2)C2CCOCC2)cc1F ZINC000225624327 222685926 /nfs/dbraw/zinc/68/59/26/222685926.db2.gz SRXQRYHMDQBAGD-LJQANCHMSA-N 0 0 394.468 3.066 50 0 GGAARN Cc1nc(-n2cccc2)sc1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000225663277 222689173 /nfs/dbraw/zinc/68/91/73/222689173.db2.gz SMCGATSJLUOOIY-UHFFFAOYSA-N 0 0 390.472 3.198 50 0 GGAARN CC(C)c1ccc(NC(=O)C(=O)NCC2CCN(c3cccnc3)CC2)cc1 ZINC000225656716 222689239 /nfs/dbraw/zinc/68/92/39/222689239.db2.gz LESYIZLPRIFVAX-UHFFFAOYSA-N 0 0 380.492 3.176 50 0 GGAARN O=S(=O)(NC[C@H](O)c1csc2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000225697591 222691027 /nfs/dbraw/zinc/69/10/27/222691027.db2.gz CYRDPALUFBWRCF-SFHVURJKSA-N 0 0 399.497 3.099 50 0 GGAARN CSc1ccccc1NC(=O)C(=O)NC[C@H](O)c1csc2ccccc21 ZINC000225698302 222691211 /nfs/dbraw/zinc/69/12/11/222691211.db2.gz GOOZOKLOZIOJQW-HNNXBMFYSA-N 0 0 386.498 3.412 50 0 GGAARN O=S(=O)(NC[C@@H](O)c1csc2ccccc21)c1ccc(-n2cccn2)cc1 ZINC000225697569 222691458 /nfs/dbraw/zinc/69/14/58/222691458.db2.gz CYRDPALUFBWRCF-GOSISDBHSA-N 0 0 399.497 3.099 50 0 GGAARN O=C(Nc1ccc(F)cc1Br)c1ccc(O[C@H]2CCOC2)nc1 ZINC000225710696 222691801 /nfs/dbraw/zinc/69/18/01/222691801.db2.gz IGVAVZDDSDHOFA-LBPRGKRZSA-N 0 0 381.201 3.403 50 0 GGAARN COc1cccc(CCC(=O)NCc2nnc3ccc(-c4cccs4)nn32)c1 ZINC000225764241 222695131 /nfs/dbraw/zinc/69/51/31/222695131.db2.gz QPFCTWSBOHOXFI-UHFFFAOYSA-N 0 0 393.472 3.110 50 0 GGAARN C/C(=C\c1ccccc1)C(=O)NCCN1Cc2cc(Cl)ccc2OCC1=O ZINC000225772959 222696682 /nfs/dbraw/zinc/69/66/82/222696682.db2.gz BMBNPTSZKMEKAT-RVDMUPIBSA-N 0 0 384.863 3.281 50 0 GGAARN O=C(Cc1c(F)cccc1Cl)N1CCN(c2cc3c(nn2)CCCC3)CC1 ZINC000225792403 222697342 /nfs/dbraw/zinc/69/73/42/222697342.db2.gz JOZSSCBEFYKKOT-UHFFFAOYSA-N 0 0 388.874 3.039 50 0 GGAARN COC(=O)c1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](c3nc(C)no3)C2)cc1 ZINC000225806839 222698081 /nfs/dbraw/zinc/69/80/81/222698081.db2.gz JGWDGMYINQZMCB-RBUKOAKNSA-N 0 0 391.427 3.188 50 0 GGAARN CCOc1ccc(-c2noc(CNC(=O)CCSc3ccccc3)n2)cn1 ZINC000225816171 222698684 /nfs/dbraw/zinc/69/86/84/222698684.db2.gz BSTGRSZNYLINCQ-UHFFFAOYSA-N 0 0 384.461 3.329 50 0 GGAARN CO[C@H](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccccc1Cl ZINC000227684027 222709224 /nfs/dbraw/zinc/70/92/24/222709224.db2.gz HYPQVGMAKZMJMQ-CRFBAAHOSA-N 0 0 399.940 3.342 50 0 GGAARN O=C([C@H]1CC(Cc2ccc(F)cc2)=NO1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000299756385 222784574 /nfs/dbraw/zinc/78/45/74/222784574.db2.gz HJDCRHXGRGCQHS-YADHBBJMSA-N 0 0 396.462 3.485 50 0 GGAARN Cc1nn(C)cc1-c1cccc(C(=O)NCc2nc(C)cc(C(F)(F)F)n2)c1 ZINC000299758185 222784780 /nfs/dbraw/zinc/78/47/80/222784780.db2.gz OUCOWWKKPKPHDE-UHFFFAOYSA-N 0 0 389.381 3.443 50 0 GGAARN CC(C)CNC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCCC[C@H]2C)c1=O ZINC000299768533 222785436 /nfs/dbraw/zinc/78/54/36/222785436.db2.gz KSAUOSKELHQESN-MRXNPFEDSA-N 0 0 387.524 3.364 50 0 GGAARN Cc1cccc(CN2CCN(C(=O)[C@@H](C)Oc3cc(C)ccc3C)CC2=O)c1 ZINC000299764593 222785817 /nfs/dbraw/zinc/78/58/17/222785817.db2.gz JHAKNZNGOGQTEG-LJQANCHMSA-N 0 0 380.488 3.250 50 0 GGAARN Cc1n[nH]c(C)c1CCNC(=O)c1cccc(-c2cncc(C(C)(C)O)c2)c1 ZINC000299760324 222785881 /nfs/dbraw/zinc/78/58/81/222785881.db2.gz PXQKFTGTTXCKOJ-UHFFFAOYSA-N 0 0 378.476 3.288 50 0 GGAARN Cc1nn(C)cc1-c1cccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)c1 ZINC000299773445 222787390 /nfs/dbraw/zinc/78/73/90/222787390.db2.gz BHUVRMDPKDUCIY-UHFFFAOYSA-N 0 0 388.471 3.452 50 0 GGAARN Cc1cccc(CN2CCN(C(=O)CCSCc3ccccc3)CC2=O)c1 ZINC000299770849 222787808 /nfs/dbraw/zinc/78/78/08/222787808.db2.gz NEFACOKRUYSBDU-UHFFFAOYSA-N 0 0 382.529 3.489 50 0 GGAARN CC(C)N1C[C@H](CNC(=O)c2ccc(OCc3ccccc3F)cc2)CC1=O ZINC000299788733 222789406 /nfs/dbraw/zinc/78/94/06/222789406.db2.gz ZWEFIXHOYSNUSE-INIZCTEOSA-N 0 0 384.451 3.391 50 0 GGAARN CCn1nc(C)c([C@@H](C)NC(=O)c2cccc(-c3cc(C)nc(N)n3)c2)c1C ZINC000299797180 222791818 /nfs/dbraw/zinc/79/18/18/222791818.db2.gz PRMZSKUWVGOTKH-CYBMUJFWSA-N 0 0 378.480 3.358 50 0 GGAARN CCCC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N1C(=O)c2ccccc2C1=O ZINC000002064576 212263849 /nfs/dbraw/zinc/26/38/49/212263849.db2.gz ZHFSOZQWRNWUMF-SFHVURJKSA-N 0 0 394.427 3.267 50 0 GGAARN COc1ccc(NC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)cc1 ZINC000002064700 212263624 /nfs/dbraw/zinc/26/36/24/212263624.db2.gz SAFKKYGAWFOCHH-QGZVFWFLSA-N 0 0 384.457 3.052 50 0 GGAARN CCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000002065765 212263776 /nfs/dbraw/zinc/26/37/76/212263776.db2.gz SHPGIZZCNJRHCI-UHFFFAOYSA-N 0 0 396.896 3.070 50 0 GGAARN CCCCOC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002062945 212263503 /nfs/dbraw/zinc/26/35/03/212263503.db2.gz LOIDLXPIMQQSDW-UJKMTWAASA-N 0 0 389.451 3.222 50 0 GGAARN CSCC[C@H](C(=O)Nc1ccc(C(C)=O)cc1)N1C(=O)c2ccccc2C1=O ZINC000002064712 212263526 /nfs/dbraw/zinc/26/35/26/212263526.db2.gz JWEKCJHJTIJKNB-GOSISDBHSA-N 0 0 396.468 3.246 50 0 GGAARN COc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000002068359 212263286 /nfs/dbraw/zinc/26/32/86/212263286.db2.gz QAMUYZDHTJZHEK-UHFFFAOYSA-N 0 0 383.400 3.043 50 0 GGAARN CCOC(=O)c1c2c(sc1NC(=O)CN1CCCCCC1)C(=O)CCC2 ZINC000002075262 212263207 /nfs/dbraw/zinc/26/32/07/212263207.db2.gz BHDSPWVKFTWDIM-UHFFFAOYSA-N 0 0 378.494 3.258 50 0 GGAARN CCCC[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000002064565 212262730 /nfs/dbraw/zinc/26/27/30/212262730.db2.gz GXDXVDQMQURMMP-GOSISDBHSA-N 0 0 379.412 3.268 50 0 GGAARN COc1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000001909308 212260597 /nfs/dbraw/zinc/26/05/97/212260597.db2.gz ZQKNSSRGFVHVHG-UHFFFAOYSA-N 0 0 396.443 3.499 50 0 GGAARN CCCc1nnc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)s1 ZINC000001903423 212259969 /nfs/dbraw/zinc/25/99/69/212259969.db2.gz OHCVLPZUGKTWDC-CQSZACIVSA-N 0 0 386.477 3.140 50 0 GGAARN O=C(COC(=O)c1ccccc1I)Nc1ccc(F)cc1 ZINC000001918912 212259629 /nfs/dbraw/zinc/25/96/29/212259629.db2.gz SYMMHCCUVSURQH-UHFFFAOYSA-N 0 0 399.159 3.226 50 0 GGAARN C[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)NCCCO)C1 ZINC000001871020 212258908 /nfs/dbraw/zinc/25/89/08/212258908.db2.gz PVVPYPYNQMLAOW-NSHDSACASA-N 0 0 378.519 3.299 50 0 GGAARN COc1ccccc1N1C(=O)CS[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001862918 212258919 /nfs/dbraw/zinc/25/89/19/212258919.db2.gz BISZVUFVGUNKSI-IBGZPJMESA-N 0 0 375.446 3.500 50 0 GGAARN CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1 ZINC000001833297 212257902 /nfs/dbraw/zinc/25/79/02/212257902.db2.gz XSCJSBLYHOGFJL-CQSZACIVSA-N 0 0 382.416 3.196 50 0 GGAARN CCC(CC)c1nnc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)s1 ZINC000001791468 212257645 /nfs/dbraw/zinc/25/76/45/212257645.db2.gz ODUXNINJKURJPK-UHFFFAOYSA-N 0 0 386.477 3.457 50 0 GGAARN CCOC(=O)[C@]1(C)C=C(Nc2ccc(OC)cc2)C(=O)N1c1ccc(OC)cc1 ZINC000001788785 212257255 /nfs/dbraw/zinc/25/72/55/212257255.db2.gz JHWATBYOSCABPK-QFIPXVFZSA-N 0 0 396.443 3.368 50 0 GGAARN NS(=O)(=O)c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000001794874 212256943 /nfs/dbraw/zinc/25/69/43/212256943.db2.gz XSNHMAOMNGCPPA-UHFFFAOYSA-N 0 0 399.453 3.308 50 0 GGAARN COCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1 ZINC000001779979 212256269 /nfs/dbraw/zinc/25/62/69/212256269.db2.gz NXWHMRZRYBQBEX-UHFFFAOYSA-N 0 0 377.824 3.469 50 0 GGAARN CCOCCOC(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 ZINC000001772232 212255979 /nfs/dbraw/zinc/25/59/79/212255979.db2.gz MMCGGWCDYWFXAM-UHFFFAOYSA-N 0 0 393.237 3.290 50 0 GGAARN CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1cccc(C)c1 ZINC000001738389 212254574 /nfs/dbraw/zinc/25/45/74/212254574.db2.gz USJCDDVURJMIMD-FQEVSTJZSA-N 0 0 380.444 3.146 50 0 biogenic GGAARN COc1cc(OC)nc([C@@H](SCCNC(=O)c2ccco2)c2ccccc2)n1 ZINC000001742024 212253504 /nfs/dbraw/zinc/25/35/04/212253504.db2.gz WQAZWOXAEVJXAT-SFHVURJKSA-N 0 0 399.472 3.339 50 0 GGAARN COC(=O)[C@](NC(=O)c1ccccc1C)(Nc1ncc(C)s1)C(F)(F)F ZINC000002050503 212261331 /nfs/dbraw/zinc/26/13/31/212261331.db2.gz YOMVFLBHRVPXJX-HNNXBMFYSA-N 0 0 387.383 3.033 50 0 GGAARN Clc1nc2c(cnn2-c2ccccc2)c(N2CCN(c3ccccn3)CC2)n1 ZINC000002027998 212261100 /nfs/dbraw/zinc/26/11/00/212261100.db2.gz NSNLBZASJXWQAB-UHFFFAOYSA-N 0 0 391.866 3.191 50 0 GGAARN COc1cc(C(=O)OCC(=O)Nc2ccccc2Cl)cc(OC)c1OC ZINC000001993673 212261180 /nfs/dbraw/zinc/26/11/80/212261180.db2.gz HKPNYXAPUOWPHV-UHFFFAOYSA-N 0 0 379.796 3.161 50 0 GGAARN Cc1ccc(Cn2c(CO)cnc2SCC(=O)N(C)c2ccccc2)cc1 ZINC000010336271 212248828 /nfs/dbraw/zinc/24/88/28/212248828.db2.gz XNDDUIHPMDRIKI-UHFFFAOYSA-N 0 0 381.501 3.487 50 0 GGAARN CN(C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc(F)cc1 ZINC000010335371 212248554 /nfs/dbraw/zinc/24/85/54/212248554.db2.gz DJDSBTHCWAXNBJ-FQEVSTJZSA-N 0 0 376.497 3.286 50 0 GGAARN O=C(NC[C@H]1CCCO1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000001506595 212247160 /nfs/dbraw/zinc/24/71/60/212247160.db2.gz YJTRSQMETISTRJ-SNVBAGLBSA-N 0 0 396.394 3.385 50 0 GGAARN O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000010326993 212247265 /nfs/dbraw/zinc/24/72/65/212247265.db2.gz UMSLWHJJHUIGAD-UHFFFAOYSA-N 0 0 391.349 3.364 50 0 GGAARN CCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1ccc(O)c(OC)c1 ZINC000001457599 212246755 /nfs/dbraw/zinc/24/67/55/212246755.db2.gz IVVRQISOWARBGW-UHFFFAOYSA-N 0 0 389.448 3.102 50 0 GGAARN COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(OCc2ccccc2)cc1 ZINC000001457609 212246791 /nfs/dbraw/zinc/24/67/91/212246791.db2.gz YAOSFOYHHAIWAY-UHFFFAOYSA-N 0 0 393.439 3.408 50 0 GGAARN CN(CCOC(=O)c1cccc2ccccc21)C1=NS(=O)(=O)c2ccccc21 ZINC000001461784 212246644 /nfs/dbraw/zinc/24/66/44/212246644.db2.gz LMTMNFGUEIPILU-UHFFFAOYSA-N 0 0 394.452 3.078 50 0 GGAARN COc1ccc2cc(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(=O)oc2c1 ZINC000001460498 212246695 /nfs/dbraw/zinc/24/66/95/212246695.db2.gz SEDDDDRFCKXCAD-INIZCTEOSA-N 0 0 392.455 3.461 50 0 GGAARN O=C(c1cccc(F)c1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000001457815 212246005 /nfs/dbraw/zinc/24/60/05/212246005.db2.gz XRKLPDGZZRRDCH-LJQANCHMSA-N 0 0 395.478 3.027 50 0 GGAARN COC(=O)c1ccc([C@@H]2SC[C@H]3C(=O)N(C4CCCCC4)C(=S)N32)cc1 ZINC000001443762 212245602 /nfs/dbraw/zinc/24/56/02/212245602.db2.gz CPWMGKMZPRAEEY-RDJZCZTQSA-N 0 0 390.530 3.349 50 0 GGAARN Cc1c(NC(=S)N2CCc3ccccc3C2)c(=O)n(-c2ccccc2)n1C ZINC000001454339 212246072 /nfs/dbraw/zinc/24/60/72/212246072.db2.gz PXKYPJRJELLFNI-UHFFFAOYSA-N 0 0 378.501 3.240 50 0 GGAARN Cn1nc(-c2cccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)c2)ccc1=O ZINC000010324850 212245721 /nfs/dbraw/zinc/24/57/21/212245721.db2.gz CXKBSDVXWKWBAV-UHFFFAOYSA-N 0 0 393.827 3.041 50 0 GGAARN COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(OCCC(C)C)cc1 ZINC000001430222 212245301 /nfs/dbraw/zinc/24/53/01/212245301.db2.gz CHZMNFRYVUPGRW-HXUWFJFHSA-N 0 0 385.460 3.331 50 0 biogenic GGAARN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)c3ccncc3)cc2)cc1OC ZINC000001431664 212245018 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COc1cccc(NC(=O)NC[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1OC ZINC000009040504 212161967 /nfs/dbraw/zinc/16/19/67/212161967.db2.gz BTPUISNPGBPTSE-OAHLLOKOSA-N 0 0 383.448 3.187 50 0 GGAARN O=C(NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Nc1ccc2c(c1)OCO2 ZINC000009040210 212161756 /nfs/dbraw/zinc/16/17/56/212161756.db2.gz GDVBHFXCYPYTEY-GFCCVEGCSA-N 0 0 387.823 3.243 50 0 GGAARN COc1ccc2sc(N(C[C@H]3CCCO3)C(=O)c3cc(C)n(C)n3)nc2c1 ZINC000009122270 212161538 /nfs/dbraw/zinc/16/15/38/212161538.db2.gz JXOBSPALXAWTDY-CQSZACIVSA-N 0 0 386.477 3.173 50 0 GGAARN Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000000623838 212165291 /nfs/dbraw/zinc/16/52/91/212165291.db2.gz PUEGJKHCUWJIGD-JTQLQIEISA-N 0 0 387.530 3.407 50 0 GGAARN CCN1c2ccc(NS(=O)(=O)Cc3ccccc3)cc2OCC(C)(C)C1=O ZINC000009166576 212164449 /nfs/dbraw/zinc/16/44/49/212164449.db2.gz WMQCGCAARFBMOA-UHFFFAOYSA-N 0 0 388.489 3.400 50 0 GGAARN CN1c2ccc(NS(=O)(=O)Cc3ccccc3F)cc2OCC(C)(C)C1=O ZINC000009165953 212164513 /nfs/dbraw/zinc/16/45/13/212164513.db2.gz OYBRNVVNRUWLLV-UHFFFAOYSA-N 0 0 392.452 3.149 50 0 GGAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 ZINC000009170111 212164412 /nfs/dbraw/zinc/16/44/12/212164412.db2.gz TVLOSBMBGWKIIN-UHFFFAOYSA-N 0 0 392.452 3.316 50 0 GGAARN CN1CCOc2ccc(NC(=O)COc3ccc4ccccc4c3)cc2C1=O ZINC000009170351 212164388 /nfs/dbraw/zinc/16/43/88/212164388.db2.gz VPKMUMLMLXABKW-UHFFFAOYSA-N 0 0 376.412 3.322 50 0 GGAARN Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(cc(F)cc3F)s2)n(C)n1 ZINC000009201047 212164161 /nfs/dbraw/zinc/16/41/61/212164161.db2.gz OPNARYVCCXDNTG-LBPRGKRZSA-N 0 0 392.431 3.442 50 0 GGAARN COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc21 ZINC000002444102 212146715 /nfs/dbraw/zinc/14/67/15/212146715.db2.gz QFPPCFIYLCDOOW-UHFFFAOYSA-N 0 0 398.367 3.492 50 0 GGAARN COc1ccc(-c2cc3ccc(OC(=O)N4CCOCC4)cc3oc2=O)cc1 ZINC000004340226 212146398 /nfs/dbraw/zinc/14/63/98/212146398.db2.gz VDDXHGSUJVAFQJ-UHFFFAOYSA-N 0 0 381.384 3.300 50 0 GGAARN CN(Cc1ccccc1)C(=O)CCNC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000012296751 212149558 /nfs/dbraw/zinc/14/95/58/212149558.db2.gz CTWOEUWPZSRQBR-UHFFFAOYSA-N 0 0 390.487 3.284 50 0 biogenic GGAARN COc1ccc(-n2c(C)nc3cc(C(=O)NCCC(C)C)ccc3c2=O)cc1 ZINC000011866569 212149231 /nfs/dbraw/zinc/14/92/31/212149231.db2.gz RUTONMFWAKAIGH-UHFFFAOYSA-N 0 0 379.460 3.479 50 0 biogenic GGAARN COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OCC(N)=O)cc43)oc21 ZINC000004586253 212146176 /nfs/dbraw/zinc/14/61/76/212146176.db2.gz WMXILYALPQMMTG-UHFFFAOYSA-N 0 0 379.368 3.387 50 0 biogenic GGAARN COC(=O)COc1ccc2c(C)c(-c3ccc(OC)cc3OC)c(=O)oc2c1 ZINC000006623764 212148117 /nfs/dbraw/zinc/14/81/17/212148117.db2.gz SIGMPEOEECUCKT-UHFFFAOYSA-N 0 0 384.384 3.337 50 0 biogenic GGAARN CCc1cc(=O)oc2c(C)c(OC(=O)CCNC(=O)OC(C)(C)C)ccc12 ZINC000002092403 212144770 /nfs/dbraw/zinc/14/47/70/212144770.db2.gz NTTIGLZMYZGPQQ-UHFFFAOYSA-N 0 0 375.421 3.484 50 0 biogenic GGAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc12 ZINC000002095295 212143734 /nfs/dbraw/zinc/14/37/34/212143734.db2.gz NNIILDLOLXBXPS-LBPRGKRZSA-N 0 0 375.421 3.482 50 0 biogenic GGAARN COc1ccc([C@H]2Cn3cnc(C(=O)NCc4ccc(F)cc4)c3CO2)cc1 ZINC000263619089 212143280 /nfs/dbraw/zinc/14/32/80/212143280.db2.gz WVICJLPJGSDNMD-LJQANCHMSA-N 0 0 381.407 3.232 50 0 GGAARN COc1ccccc1Oc1coc2cc(OC(=O)N3CCOCC3)ccc2c1=O ZINC000001126888 212142796 /nfs/dbraw/zinc/14/27/96/212142796.db2.gz SIAYVAJLWJRQMR-UHFFFAOYSA-N 0 0 397.383 3.425 50 0 GGAARN COC(=O)Cc1c(C)c2ccc(OCC(=O)c3ccc(F)cc3)cc2oc1=O ZINC000001132276 212142662 /nfs/dbraw/zinc/14/26/62/212142662.db2.gz GLKXOBLAWHPBQC-UHFFFAOYSA-N 0 0 384.359 3.218 50 0 biogenic GGAARN COc1ccc(-c2cc3n(n2)[C@@H](NCc2ccccc2Cl)CNC3=O)cc1 ZINC000263618373 212142696 /nfs/dbraw/zinc/14/26/96/212142696.db2.gz SQIUKZHYLKFALC-LJQANCHMSA-N 0 0 382.851 3.244 50 0 GGAARN COc1ccccc1-c1noc(CNC(=O)[C@@H](CCSC)n2cccc2)n1 ZINC000263588326 212141899 /nfs/dbraw/zinc/14/18/99/212141899.db2.gz RWKPFKBRWDLUES-OAHLLOKOSA-N 0 0 386.477 3.157 50 0 GGAARN CCN(Cc1ccccc1)C(=O)c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 ZINC000263617965 212141969 /nfs/dbraw/zinc/14/19/69/212141969.db2.gz QQGIZPCREIHDOZ-LJQANCHMSA-N 0 0 380.423 3.351 50 0 GGAARN CCOc1ccccc1CN[C@@H]1CNC(=O)c2cc(-c3ccc(F)cc3)nn21 ZINC000263616749 212141761 /nfs/dbraw/zinc/14/17/61/212141761.db2.gz KIQIGPUSGYZHPS-FQEVSTJZSA-N 0 0 380.423 3.120 50 0 GGAARN COc1ccc(-c2cc3n(n2)[C@H](NCc2cccc(Cl)c2)CNC3=O)cc1 ZINC000263617249 212141798 /nfs/dbraw/zinc/14/17/98/212141798.db2.gz MXKYRUVDUNHDMS-IBGZPJMESA-N 0 0 382.851 3.244 50 0 GGAARN O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)NCCN1CCOCC1 ZINC000263588198 212141836 /nfs/dbraw/zinc/14/18/36/212141836.db2.gz QIALNVBSFIQLKT-QFIPXVFZSA-N 0 0 377.488 3.069 50 0 GGAARN COc1ccc(CCn2ccn3nc(-c4ccc(F)cc4)c(CO)c3c2=O)cc1 ZINC000263618290 212142585 /nfs/dbraw/zinc/14/25/85/212142585.db2.gz SCIYVJISTJAIPZ-UHFFFAOYSA-N 0 0 393.418 3.046 50 0 GGAARN O=C(NCc1cccs1)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 ZINC000263615521 212141029 /nfs/dbraw/zinc/14/10/29/212141029.db2.gz CUNZKPLCWXLVRR-OAHLLOKOSA-N 0 0 395.532 3.202 50 0 GGAARN CC[C@H](C)[C@H](NC(=O)CCCn1c(C)cc(O)cc1=O)c1nc2ccccc2[nH]1 ZINC000263588016 212141054 /nfs/dbraw/zinc/14/10/54/212141054.db2.gz NZRLEJHGBGXQMA-QKKBWIMNSA-N 0 0 396.491 3.422 50 0 GGAARN COc1ccc([C@H]2Cn3nnc(C(=O)Nc4cc(C)ccc4C)c3CO2)cc1 ZINC000263616016 212141566 /nfs/dbraw/zinc/14/15/66/212141566.db2.gz GLTSDONVZIOCBJ-LJQANCHMSA-N 0 0 378.432 3.427 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4cccc(Cl)c4)c3CO2)cc1 ZINC000263616675 212141571 /nfs/dbraw/zinc/14/15/71/212141571.db2.gz JZXXJFRAFLFHJM-KRWDZBQOSA-N 0 0 384.823 3.464 50 0 GGAARN O=c1c2c(CO)c(-c3ccccc3)nn2ccn1Cc1ccc(F)cc1Cl ZINC000263616539 212141614 /nfs/dbraw/zinc/14/16/14/212141614.db2.gz JIAFOGRDSOOOLJ-UHFFFAOYSA-N 0 0 383.810 3.496 50 0 GGAARN O=C(Nc1ccccc1)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 ZINC000263616570 212141634 /nfs/dbraw/zinc/14/16/34/212141634.db2.gz JLTRMHKDILNMEP-MRXNPFEDSA-N 0 0 375.476 3.463 50 0 GGAARN CCOc1cccc(CNC(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)c1 ZINC000263616998 212141357 /nfs/dbraw/zinc/14/13/57/212141357.db2.gz LOYSSAVYWYLLLP-IBGZPJMESA-N 0 0 396.422 3.017 50 0 GGAARN COc1ccc(CCn2ccn3nc(-c4cccc(F)c4)c(CO)c3c2=O)cc1 ZINC000263618005 212141401 /nfs/dbraw/zinc/14/14/01/212141401.db2.gz QVIVCSXLHODJQN-UHFFFAOYSA-N 0 0 393.418 3.046 50 0 GGAARN CCOc1cccc(CNC(=O)c2nnn3c2CO[C@@H](c2ccc(F)cc2)C3)c1 ZINC000263616999 212141259 /nfs/dbraw/zinc/14/12/59/212141259.db2.gz LOYSSAVYWYLLLP-LJQANCHMSA-N 0 0 396.422 3.017 50 0 GGAARN COc1ccc(CN[C@@H]2CNC(=O)c3cc(-c4ccc(C)cc4C)nn32)cc1 ZINC000263617595 212141303 /nfs/dbraw/zinc/14/13/03/212141303.db2.gz OQRLZDGUTUPIER-NRFANRHFSA-N 0 0 376.460 3.207 50 0 GGAARN COc1ccc(-c2cc3c(=O)n(C[C@@H](O)c4ccc(C)cc4)ccn3n2)cc1 ZINC000263615434 212140928 /nfs/dbraw/zinc/14/09/28/212140928.db2.gz CJLMJZMGMRKKBM-OAQYLSRUSA-N 0 0 375.428 3.214 50 0 GGAARN O=C(NCc1ccc(F)cc1)c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 ZINC000263616411 212140981 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COc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc(OC)c1OC(C)=O ZINC000001120703 220475921 /nfs/dbraw/zinc/47/59/21/220475921.db2.gz BEGLSBFDATYCOQ-CXUHLZMHSA-N 0 0 381.384 3.282 50 0 GGAARN O=C(Cc1ccccc1)NCC(=O)OCc1ccc(C(=O)c2ccccc2)cc1 ZINC000001051256 220476039 /nfs/dbraw/zinc/47/60/39/220476039.db2.gz CFVJLNXFGLFYQO-UHFFFAOYSA-N 0 0 387.435 3.320 50 0 GGAARN CCOc1ccc(NC(=O)CSc2nnc(NC(=O)C3CC3)s2)cc1 ZINC000001381663 220493599 /nfs/dbraw/zinc/49/35/99/220493599.db2.gz FMJXNTKUJXOASW-UHFFFAOYSA-N 0 0 378.479 3.016 50 0 GGAARN O=C(c1cccc2c1C(=O)N(Cc1c(F)cccc1Cl)C2)N1CCOCC1 ZINC000001409960 220495330 /nfs/dbraw/zinc/49/53/30/220495330.db2.gz YPDWMMIHBXLRCW-UHFFFAOYSA-N 0 0 388.826 3.108 50 0 GGAARN CC(C)OP(=O)(OC(C)C)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccccc1 ZINC000001886073 220501158 /nfs/dbraw/zinc/50/11/58/220501158.db2.gz NLFSCYJFOJMESP-CVEARBPZSA-N 0 0 398.440 3.239 50 0 GGAARN Cc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)N2CCOCC2)cc1 ZINC000001994302 220501613 /nfs/dbraw/zinc/50/16/13/220501613.db2.gz 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CC[C@@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(F)cc3)N2C1=O ZINC000002256828 220515366 /nfs/dbraw/zinc/51/53/66/220515366.db2.gz FCGLXRLKUBLMDL-HOCLYGCPSA-N 0 0 392.452 3.054 50 0 GGAARN CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(S)n32)CO1 ZINC000002259004 220515650 /nfs/dbraw/zinc/51/56/50/220515650.db2.gz HYNDOAABMGLQSN-UHFFFAOYSA-N 0 0 384.486 3.235 50 0 GGAARN COCCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(Cl)cc1 ZINC000002258146 220515852 /nfs/dbraw/zinc/51/58/52/220515852.db2.gz GGRNWJRLJBDCRT-NHYWBVRUSA-N 0 0 394.880 3.178 50 0 GGAARN Cc1cccc(NC(=S)NC(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)c1 ZINC000002284470 220518042 /nfs/dbraw/zinc/51/80/42/220518042.db2.gz NALZDWCMCIIKKD-HNNXBMFYSA-N 0 0 399.497 3.467 50 0 GGAARN O=C(Nc1ccccc1)N1c2ccc(Br)cc2C2(OCCO2)C1=O ZINC000002275032 220518311 /nfs/dbraw/zinc/51/83/11/220518311.db2.gz YGZRWIWAROFDLT-UHFFFAOYSA-N 0 0 389.205 3.227 50 0 GGAARN Nc1c(C(=O)NC[C@H]2CCCO2)c2nc3ccccc3nc2n1-c1ccccc1 ZINC000002291183 220519232 /nfs/dbraw/zinc/51/92/32/220519232.db2.gz BAJDJSODTWZFSS-OAHLLOKOSA-N 0 0 387.443 3.065 50 0 GGAARN CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cccnc1 ZINC000002349127 220525769 /nfs/dbraw/zinc/52/57/69/220525769.db2.gz LCGPSGNRTRLBLF-UHFFFAOYSA-N 0 0 375.404 3.369 50 0 GGAARN COc1ccc(-c2c3c(cn2-c2ccccc2C)n(C)c(=O)n(C)c3=O)cc1 ZINC000002367579 220527268 /nfs/dbraw/zinc/52/72/68/220527268.db2.gz OAGZATNYARXULQ-UHFFFAOYSA-N 0 0 375.428 3.012 50 0 GGAARN COc1ccc(-c2nc3s/c(=C\c4cccc(Cl)c4)c(=O)n3n2)cc1OC ZINC000002397805 220529173 /nfs/dbraw/zinc/52/91/73/220529173.db2.gz KUJBPIRTUCJKII-SXGWCWSVSA-N 0 0 399.859 3.036 50 0 GGAARN CC(C)Sc1nc2sc3c(c2c2nnc(SCC(N)=O)n21)CCCC3 ZINC000002398975 220529916 /nfs/dbraw/zinc/52/99/16/220529916.db2.gz OJZCFPTZLXDQLP-UHFFFAOYSA-N 0 0 393.563 3.296 50 0 GGAARN CCCCN1CN(S(=O)(=O)c2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002404032 220530127 /nfs/dbraw/zinc/53/01/27/220530127.db2.gz XGQKHMPZMQGEBP-UHFFFAOYSA-N 0 0 398.488 3.411 50 0 GGAARN Cc1ccc(N2C(=O)N[C@](NC(=O)c3cccs3)(C(F)(F)F)C2=O)cc1 ZINC000002388516 220530215 /nfs/dbraw/zinc/53/02/15/220530215.db2.gz MAEVCVNUYXWKEV-HNNXBMFYSA-N 0 0 383.351 3.006 50 0 GGAARN COc1ccc(-c2nnc3s/c(=C\c4ccc(Cl)cc4)c(=O)n32)cc1OC ZINC000002387783 220530233 /nfs/dbraw/zinc/53/02/33/220530233.db2.gz ZEXYVGZPINKMAL-SXGWCWSVSA-N 0 0 399.859 3.036 50 0 GGAARN CC[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000002328586 220523972 /nfs/dbraw/zinc/52/39/72/220523972.db2.gz RZOYJIFWOVKBMC-QGZVFWFLSA-N 0 0 381.461 3.374 50 0 GGAARN CCOC(=O)[C@@]1(C(F)(F)F)N=C(c2ccccc2)OC(N2CCCCC2)=N1 ZINC000002345551 220524565 /nfs/dbraw/zinc/52/45/65/220524565.db2.gz WSXWOPZWZPZAMR-QGZVFWFLSA-N 0 0 383.370 3.127 50 0 GGAARN COCCNC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2 ZINC000002329444 220524915 /nfs/dbraw/zinc/52/49/15/220524915.db2.gz VGDJXBRIRQWWSX-UHFFFAOYSA-N 0 0 376.453 3.395 50 0 GGAARN CCOC(=O)c1c(N)n(-c2ccc(OC)cc2OC)c2nc3ccccc3nc21 ZINC000002356233 220525344 /nfs/dbraw/zinc/52/53/44/220525344.db2.gz CHDRHUZHLTVNRO-UHFFFAOYSA-N 0 0 392.415 3.350 50 0 GGAARN COc1cccc2[nH]c3c(ncnc3N3CCN(c4ccccc4OC)CC3)c21 ZINC000002436888 220532962 /nfs/dbraw/zinc/53/29/62/220532962.db2.gz RICYZNFLQKDTJB-UHFFFAOYSA-N 0 0 389.459 3.455 50 0 GGAARN CCCOC(=O)c1ccc(Oc2coc3cc(OCC(N)=O)ccc3c2=O)cc1 ZINC000002421597 220533944 /nfs/dbraw/zinc/53/39/44/220533944.db2.gz XJWJNCBDEGQSBW-UHFFFAOYSA-N 0 0 397.383 3.016 50 0 GGAARN COCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1c1cccc(O)c1 ZINC000002431627 220533961 /nfs/dbraw/zinc/53/39/61/220533961.db2.gz IQVGVXLVGUSDBT-SFHVURJKSA-N 0 0 379.412 3.307 50 0 GGAARN Cc1cc(C)n(-c2nc3sc4c(c3c(NC[C@H](C)O)n2)CC(C)(C)OC4)n1 ZINC000002430095 220533993 /nfs/dbraw/zinc/53/39/93/220533993.db2.gz YGOCEFIMJDLYPM-LBPRGKRZSA-N 0 0 387.509 3.138 50 0 GGAARN COc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)cc1Cl ZINC000002437599 220534319 /nfs/dbraw/zinc/53/43/19/220534319.db2.gz ZPFMXGJWAWOOMR-UHFFFAOYSA-N 0 0 378.841 3.468 50 0 GGAARN COc1cccc(OCc2nc3c4cnn(-c5ccc(C)cc5)c4ncn3n2)c1 ZINC000002448633 220535557 /nfs/dbraw/zinc/53/55/57/220535557.db2.gz UCSLZQUDENWSSQ-UHFFFAOYSA-N 0 0 386.415 3.359 50 0 GGAARN CC1(C)Cc2c(sc3ncn4nc(C(=O)NCc5ccccc5)nc4c23)CO1 ZINC000002445419 220535874 /nfs/dbraw/zinc/53/58/74/220535874.db2.gz ZMBUTNAZXRQRJB-UHFFFAOYSA-N 0 0 393.472 3.120 50 0 GGAARN CC[C@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)c1cnccn1 ZINC000002457404 220536168 /nfs/dbraw/zinc/53/61/68/220536168.db2.gz DYHOJYIWDNXUDT-HXUWFJFHSA-N 0 0 386.521 3.408 50 0 GGAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2SCC(N)=O)cc1 ZINC000002461026 220537330 /nfs/dbraw/zinc/53/73/30/220537330.db2.gz SWXDQRSZGMPGIO-UHFFFAOYSA-N 0 0 394.499 3.122 50 0 GGAARN C[C@@H](C(=O)OCc1cccc(Br)c1)N1c2ccccc2C(=O)C1=O ZINC000002483217 220538588 /nfs/dbraw/zinc/53/85/88/220538588.db2.gz YZKABBGLDKTPAM-NSHDSACASA-N 0 0 388.217 3.110 50 0 GGAARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccccc1Br ZINC000002502862 220539668 /nfs/dbraw/zinc/53/96/68/220539668.db2.gz NVRSVQFRGRIJFX-AWEZNQCLSA-N 0 0 395.278 3.272 50 0 GGAARN CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1ccccc1Cl ZINC000002648365 220547720 /nfs/dbraw/zinc/54/77/20/220547720.db2.gz WNSQSWGWGNGRLG-UHFFFAOYSA-N 0 0 398.937 3.015 50 0 GGAARN CCN(CC)c1nc2c(S(=O)(=O)c3ccc(C)cc3)nnn2c2ccccc21 ZINC000002690462 220552161 /nfs/dbraw/zinc/55/21/61/220552161.db2.gz JBUZFPQIBGCQQI-UHFFFAOYSA-N 0 0 395.488 3.265 50 0 GGAARN O=C(Nc1cnn(COCC(F)(F)F)c1)c1cc(Br)cs1 ZINC000002731616 220558270 /nfs/dbraw/zinc/55/82/70/220558270.db2.gz VMAMZUWBPJTZJS-UHFFFAOYSA-N 0 0 384.177 3.496 50 0 GGAARN CCn1nc(C)c(NC(=O)[C@@]2(C)CC2(Br)Br)c1C ZINC000002766853 220562256 /nfs/dbraw/zinc/56/22/56/220562256.db2.gz WTDHBHSMENHLFH-LLVKDONJSA-N 0 0 379.096 3.354 50 0 GGAARN CCOC(=O)c1sc(NC(=O)CSc2ccccc2)c(C(N)=O)c1C ZINC000002764169 220562441 /nfs/dbraw/zinc/56/24/41/220562441.db2.gz ODCXGXKRBGQJDZ-UHFFFAOYSA-N 0 0 378.475 3.063 50 0 GGAARN COc1ccc(C(=O)[C@H](C)OC(=O)c2cc3cccc(OC)c3oc2=O)cc1 ZINC000002707925 220554762 /nfs/dbraw/zinc/55/47/62/220554762.db2.gz JXFSSYNMPXVUOT-LBPRGKRZSA-N 0 0 382.368 3.238 50 0 biogenic GGAARN NS(=O)(=O)c1ccc(NC(=O)c2ccc(CSc3ccccc3)o2)cc1 ZINC000002708432 220554914 /nfs/dbraw/zinc/55/49/14/220554914.db2.gz ISSWDPREQIDJGR-UHFFFAOYSA-N 0 0 388.470 3.472 50 0 GGAARN CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)o2)cc1 ZINC000002720239 220556122 /nfs/dbraw/zinc/55/61/22/220556122.db2.gz XZZFSMKKEOSYHF-UHFFFAOYSA-N 0 0 394.497 3.221 50 0 GGAARN Cc1cc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c(C)c1 ZINC000002723984 220557067 /nfs/dbraw/zinc/55/70/67/220557067.db2.gz YKJIULCCQUCNFM-UHFFFAOYSA-N 0 0 389.502 3.416 50 0 GGAARN Cc1ccc(C)c2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc21 ZINC000002723907 220557181 /nfs/dbraw/zinc/55/71/81/220557181.db2.gz HQWJPKFAQGPLOA-UHFFFAOYSA-N 0 0 389.502 3.416 50 0 GGAARN O=C(NCCc1ccccc1)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O ZINC000002840802 220572925 /nfs/dbraw/zinc/57/29/25/220572925.db2.gz QFOKGLBULVWIGG-UHFFFAOYSA-N 0 0 386.451 3.329 50 0 GGAARN COC(=O)Cc1ccc(NC(=O)c2ccccc2I)cc1 ZINC000002846300 220573939 /nfs/dbraw/zinc/57/39/39/220573939.db2.gz IMNVEVBJSXMFET-UHFFFAOYSA-N 0 0 395.196 3.259 50 0 GGAARN CCn1cc(Br)c(C(=O)Nc2ncc(Br)s2)n1 ZINC000002782380 220565349 /nfs/dbraw/zinc/56/53/49/220565349.db2.gz RRPWFOKMHUNWKY-UHFFFAOYSA-N 0 0 380.065 3.137 50 0 GGAARN CC(C)CNC(=O)CSc1nnc(-c2cc(Br)cs2)n1C ZINC000002791354 220566082 /nfs/dbraw/zinc/56/60/82/220566082.db2.gz YDZCCOXPXUDKLF-UHFFFAOYSA-N 0 0 389.344 3.170 50 0 GGAARN Cn1c(SCC(=O)N2CCCC2)nnc1-c1cc(Br)cs1 ZINC000002789775 220566453 /nfs/dbraw/zinc/56/64/53/220566453.db2.gz GLPXTPYRGVDOQS-UHFFFAOYSA-N 0 0 387.328 3.021 50 0 GGAARN CCc1c(C)sc(NC(=O)[C@H](C)n2ncc(Br)c2C)c1C(N)=O ZINC000002802166 220567943 /nfs/dbraw/zinc/56/79/43/220567943.db2.gz QHNKHPNRTZNCPR-QMMMGPOBSA-N 0 0 399.314 3.185 50 0 GGAARN CCn1ncc(Cl)c1CNC(=S)Nc1cnn(Cc2ccccc2F)c1 ZINC000002802819 220568154 /nfs/dbraw/zinc/56/81/54/220568154.db2.gz MJDPWUXZUXMIOG-UHFFFAOYSA-N 0 0 392.891 3.427 50 0 GGAARN CC(C)(C)[C@@H]1CCc2onc(C(=O)NCCn3cc(Br)cn3)c2C1 ZINC000002802983 220568330 /nfs/dbraw/zinc/56/83/30/220568330.db2.gz FCIZZABLQQLEFB-LLVKDONJSA-N 0 0 395.301 3.215 50 0 GGAARN COc1cc(OC)cc(C(=O)NCCCn2nc(C)c(Br)c2C)c1 ZINC000002798655 220568961 /nfs/dbraw/zinc/56/89/61/220568961.db2.gz ZAZIQXJQGRQYJL-UHFFFAOYSA-N 0 0 396.285 3.100 50 0 GGAARN COc1ccc(OCc2cccc(-c3nc4c5cnn(C)c5ncn4n3)c2)cc1 ZINC000002800429 220568989 /nfs/dbraw/zinc/56/89/89/220568989.db2.gz IJICFHVHQZIPPV-UHFFFAOYSA-N 0 0 386.415 3.266 50 0 GGAARN CCn1cc(Cl)c(C2N=NC(=S)N2c2cnn(Cc3ccccc3)c2)n1 ZINC000002809197 220569985 /nfs/dbraw/zinc/56/99/85/220569985.db2.gz CTPPZGBJSDEWPE-UHFFFAOYSA-N 0 0 385.884 3.338 50 0 GGAARN O=C(NCCOc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002995543 220594198 /nfs/dbraw/zinc/59/41/98/220594198.db2.gz CIDWLWOPVFCKSM-UHFFFAOYSA-N 0 0 386.757 3.493 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccccc3)S2)cc1 ZINC000002999011 220594293 /nfs/dbraw/zinc/59/42/93/220594293.db2.gz QXELIYIDSIFPGB-MRXNPFEDSA-N 0 0 397.456 3.302 50 0 GGAARN O=C(NCc1ccccc1)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000002998776 220594325 /nfs/dbraw/zinc/59/43/25/220594325.db2.gz KWLAATHNNJWIAV-NRFANRHFSA-N 0 0 388.423 3.395 50 0 GGAARN COc1ccc(NC(=O)[C@H](C)N2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000002870779 220577307 /nfs/dbraw/zinc/57/73/07/220577307.db2.gz YYTRBOOSEDQKQM-ZDUSSCGKSA-N 0 0 382.441 3.384 50 0 GGAARN Cc1ccccc1OCCn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21 ZINC000002880230 220579760 /nfs/dbraw/zinc/57/97/60/220579760.db2.gz DPZVXZZNYVJLFN-UHFFFAOYSA-N 0 0 392.455 3.070 50 0 GGAARN CCOc1ccccc1NC(=O)CN(CC)S(=O)(=O)c1ccc(C)cc1 ZINC000002885150 220579840 /nfs/dbraw/zinc/57/98/40/220579840.db2.gz OKTMHFGVCCCITJ-UHFFFAOYSA-N 0 0 376.478 3.043 50 0 GGAARN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000002885075 220580164 /nfs/dbraw/zinc/58/01/64/220580164.db2.gz SZSGBAUUIPDNAG-CYBMUJFWSA-N 0 0 382.432 3.375 50 0 GGAARN Cc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)ccc1Br ZINC000002922845 220583025 /nfs/dbraw/zinc/58/30/25/220583025.db2.gz 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/nfs/dbraw/zinc/59/12/47/220591247.db2.gz RRXUVTCURKNHSP-UHFFFAOYSA-N 0 0 397.905 3.115 50 0 GGAARN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NC1CC1 ZINC000002979396 220591779 /nfs/dbraw/zinc/59/17/79/220591779.db2.gz BFVKJBAPRQXGTR-UHFFFAOYSA-N 0 0 399.299 3.467 50 0 GGAARN COc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)c1 ZINC000003007764 220596480 /nfs/dbraw/zinc/59/64/80/220596480.db2.gz HCSARVPTUAVPLB-CYBMUJFWSA-N 0 0 376.815 3.157 50 0 GGAARN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1=O ZINC000003008218 220596580 /nfs/dbraw/zinc/59/65/80/220596580.db2.gz XNMDPTPJHKJXNA-HKUYNNGSSA-N 0 0 395.478 3.084 50 0 GGAARN CCOC(=O)C(=Cc1ccc(-c2ccsc2C(=O)OC)o1)C(=O)OCC ZINC000003028880 220598079 /nfs/dbraw/zinc/59/80/79/220598079.db2.gz NCSKTWLJWAQFHC-UHFFFAOYSA-N 0 0 378.402 3.304 50 0 GGAARN COCCn1c(SCc2ccc(C)cc2)nc2cc(C(=O)OC)ccc2c1=O ZINC000003052103 220601505 /nfs/dbraw/zinc/60/15/05/220601505.db2.gz NNSYSBCNWSOGJV-UHFFFAOYSA-N 0 0 398.484 3.430 50 0 GGAARN COc1ccc(CCNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000003060546 220601782 /nfs/dbraw/zinc/60/17/82/220601782.db2.gz URTLHXKHLOBNRV-UHFFFAOYSA-N 0 0 396.365 3.020 50 0 GGAARN COc1ccc([C@]2(c3ncc(C(F)(F)F)cc3Cl)CCC(=O)NC2=O)cc1 ZINC000003133155 220606216 /nfs/dbraw/zinc/60/62/16/220606216.db2.gz WEYOXJBGKKPSPO-KRWDZBQOSA-N 0 0 398.768 3.485 50 0 GGAARN Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)c(Br)c1 ZINC000003200103 220608329 /nfs/dbraw/zinc/60/83/29/220608329.db2.gz FKMVTIPJGDFMPD-UHFFFAOYSA-N 0 0 389.293 3.485 50 0 GGAARN Nn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccnc1 ZINC000003276653 220620638 /nfs/dbraw/zinc/62/06/38/220620638.db2.gz HIAGEAZWABNKFP-UHFFFAOYSA-N 0 0 395.275 3.092 50 0 GGAARN CC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)cc1 ZINC000003417979 220640599 /nfs/dbraw/zinc/64/05/99/220640599.db2.gz CXFNCYFGBJITLE-UHFFFAOYSA-N 0 0 399.491 3.355 50 0 GGAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1N ZINC000003438904 220645706 /nfs/dbraw/zinc/64/57/06/220645706.db2.gz 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CCC[C@@H](C)COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000004065764 220675729 /nfs/dbraw/zinc/67/57/29/220675729.db2.gz DUTGLQDEOLKMSP-XIKOKIGWSA-N 0 0 376.453 3.311 50 0 GGAARN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000004072265 220676336 /nfs/dbraw/zinc/67/63/36/220676336.db2.gz SAINWAATWOPALL-UHFFFAOYSA-N 0 0 378.413 3.111 50 0 GGAARN CCCCOCCCN1CC(=O)N2[C@@H](C)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000004063283 220676601 /nfs/dbraw/zinc/67/66/01/220676601.db2.gz CYRGZSURHJNQJD-KXBFYZLASA-N 0 0 383.492 3.031 50 0 biogenic GGAARN CC(C)(C)C(=O)Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 ZINC000004078177 220677704 /nfs/dbraw/zinc/67/77/04/220677704.db2.gz WMTFEZHOZNDLHP-UHFFFAOYSA-N 0 0 376.507 3.204 50 0 GGAARN COc1ccc(CCNC(=O)[C@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)cc1 ZINC000004081918 220678053 /nfs/dbraw/zinc/67/80/53/220678053.db2.gz RIOQBWXHWWSORU-WIYYLYMNSA-N 0 0 396.512 3.403 50 0 biogenic GGAARN O=C(CN1C(=O)CCC1=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000004078716 220678061 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Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)c(C)c2)CS(=O)(=O)C3)cc1 ZINC000004224394 220695469 /nfs/dbraw/zinc/69/54/69/220695469.db2.gz QOJAFIQJQUYGSD-UHFFFAOYSA-N 0 0 395.484 3.478 50 0 GGAARN CCCc1cc(=O)[nH]c2nnc(SCc3ccc(Br)cc3)n21 ZINC000004250340 220696206 /nfs/dbraw/zinc/69/62/06/220696206.db2.gz VFHSGKMXQNNBBY-UHFFFAOYSA-N 0 0 379.283 3.425 50 0 GGAARN O=C(Nc1cccc(F)c1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000004272128 220698872 /nfs/dbraw/zinc/69/88/72/220698872.db2.gz UZYPOZJEURDCAP-UHFFFAOYSA-N 0 0 393.418 3.224 50 0 GGAARN COc1nc(-c2cccc(C(=O)N[C@@H](c3cccc(C)n3)C3CC3)c2)nn1C ZINC000426548487 533169850 /nfs/dbraw/zinc/16/98/50/533169850.db2.gz JIQODSSWVALMIE-GOSISDBHSA-N 0 0 377.448 3.075 50 0 GGAARN CCCC(=O)N1CCN(c2ccc(NC(=O)COc3cccc(C)c3)cc2)CC1 ZINC000004121074 220683867 /nfs/dbraw/zinc/68/38/67/220683867.db2.gz HSIODIYAORXALJ-UHFFFAOYSA-N 0 0 395.503 3.461 50 0 GGAARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3OC)cc2)CC1 ZINC000004120397 220683995 /nfs/dbraw/zinc/68/39/95/220683995.db2.gz 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220691762 /nfs/dbraw/zinc/69/17/62/220691762.db2.gz HAKYXVWPYVQUEY-UHFFFAOYSA-N 0 0 399.516 3.330 50 0 GGAARN COc1cccc(C(=O)Oc2cccc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)c1 ZINC000004207942 220692606 /nfs/dbraw/zinc/69/26/06/220692606.db2.gz GEZXVZODDNGZEM-ILWKUFEGSA-N 0 0 391.423 3.450 50 0 GGAARN O=C(CN1C(=O)CCC1=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000004194709 220693484 /nfs/dbraw/zinc/69/34/84/220693484.db2.gz SBJBVFAELGUFDC-UHFFFAOYSA-N 0 0 384.244 3.204 50 0 GGAARN O=C1c2ccccc2[S@@](=O)c2ccccc2S(=O)(=O)N1Cc1ccccc1 ZINC000004375719 220712728 /nfs/dbraw/zinc/71/27/28/220712728.db2.gz SKAUDJKFYNHRQE-SANMLTNESA-N 0 0 397.477 3.198 50 0 GGAARN CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2ncnc3ccccc32)c1 ZINC000004372018 220713061 /nfs/dbraw/zinc/71/30/61/220713061.db2.gz WMFVPUDSBGWGNW-UHFFFAOYSA-N 0 0 386.477 3.413 50 0 GGAARN COc1ccc(-c2nnc(NC(=O)c3cc(OC)c(OC)c(OC)c3)o2)cc1 ZINC000004276070 220701088 /nfs/dbraw/zinc/70/10/88/220701088.db2.gz MYAYDDFISFPGKE-UHFFFAOYSA-N 0 0 385.376 3.023 50 0 GGAARN O=C(CCN1C(=O)c2cccc3cccc(c32)C1=O)Nc1ccc2c(c1)OCO2 ZINC000004278839 220701115 /nfs/dbraw/zinc/70/11/15/220701115.db2.gz YOOZNPIHGMPQKQ-UHFFFAOYSA-N 0 0 388.379 3.193 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1C ZINC000004315016 220704433 /nfs/dbraw/zinc/70/44/33/220704433.db2.gz DGMHEEYRKJUALA-UHFFFAOYSA-N 0 0 385.489 3.448 50 0 GGAARN Nc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccc(Br)cc1 ZINC000004316587 220705374 /nfs/dbraw/zinc/70/53/74/220705374.db2.gz WZXZZLMUCBMFLD-UHFFFAOYSA-N 0 0 383.209 3.329 50 0 GGAARN Cc1cccc(N2C(=O)N(c3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000004333174 220707804 /nfs/dbraw/zinc/70/78/04/220707804.db2.gz YLIDGSNOVAIWQC-SJORKVTESA-N 0 0 376.865 3.261 50 0 GGAARN CCCc1cc(C(=O)OC)c(NC(=O)C[C@H]2Nc3ccccc3NC2=O)s1 ZINC000004335141 220707968 /nfs/dbraw/zinc/70/79/68/220707968.db2.gz ZJOCPBPPKGQBHX-OAHLLOKOSA-N 0 0 387.461 3.249 50 0 GGAARN COc1cccc(C(=O)Nc2ccc(-c3ccc4nnc(C)n4n3)cc2)c1OC ZINC000004377145 220712165 /nfs/dbraw/zinc/71/21/65/220712165.db2.gz OZRYQSODCORIBM-UHFFFAOYSA-N 0 0 389.415 3.369 50 0 GGAARN O=C1S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccccc1F ZINC000004545328 220730009 /nfs/dbraw/zinc/73/00/09/220730009.db2.gz VOTPYMOAHNHOQB-WJDWOHSUSA-N 0 0 388.420 3.492 50 0 GGAARN CCc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)OCc2ccccc2)[C@@H]3C1=O ZINC000004555071 220730536 /nfs/dbraw/zinc/73/05/36/220730536.db2.gz YRRZXGKUQSATMT-OOICKAIWSA-N 0 0 389.451 3.279 50 0 GGAARN Cc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3C)c2=O)cc1 ZINC000004479256 220720565 /nfs/dbraw/zinc/72/05/65/220720565.db2.gz MSTLQXYIHRANCC-UHFFFAOYSA-N 0 0 387.443 3.146 50 0 GGAARN COc1ccc(OCC(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)cc1 ZINC000004487828 220720644 /nfs/dbraw/zinc/72/06/44/220720644.db2.gz LLBAYWPEQNSTQN-UHFFFAOYSA-N 0 0 395.444 3.187 50 0 GGAARN O=C1C(Cl)=C(NC[C@@H]2CCCO2)C(=O)N1c1cccc(Cl)c1Cl ZINC000004482779 220720866 /nfs/dbraw/zinc/72/08/66/220720866.db2.gz DAKBFZWKWLSTOO-QMMMGPOBSA-N 0 0 375.639 3.086 50 0 GGAARN COc1cc(Br)cc2cc(S(=O)(=O)c3ccccc3)c(=O)oc21 ZINC000004484142 220720902 /nfs/dbraw/zinc/72/09/02/220720902.db2.gz GDRCHQWVOAXQPV-UHFFFAOYSA-N 0 0 395.230 3.397 50 0 GGAARN O=C(N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1cccc2ccccc21 ZINC000004497570 220722204 /nfs/dbraw/zinc/72/22/04/220722204.db2.gz ZCGKVXNJHSGDBQ-INIZCTEOSA-N 0 0 388.423 3.146 50 0 GGAARN COc1ccc(Cc2nn3c(nnc3-c3ccc(OC)c(OC)c3)s2)cc1 ZINC000004511713 220722830 /nfs/dbraw/zinc/72/28/30/220722830.db2.gz WYILUMIRZDINOX-UHFFFAOYSA-N 0 0 382.445 3.469 50 0 GGAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cccn1C ZINC000004502632 220723021 /nfs/dbraw/zinc/72/30/21/220723021.db2.gz VVACTTJQEIPOSS-GOSISDBHSA-N 0 0 381.461 3.433 50 0 GGAARN COc1ccc(CCNC(=O)[C@@H]2CC(c3ccc(Cl)cc3)=NO2)cc1OC ZINC000004505064 220723056 /nfs/dbraw/zinc/72/30/56/220723056.db2.gz GYGMHXYABGJORZ-IBGZPJMESA-N 0 0 388.851 3.209 50 0 biogenic GGAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cccn1C ZINC000004502633 220723558 /nfs/dbraw/zinc/72/35/58/220723558.db2.gz 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Cc1c(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c(=O)n(-c2ccccc2)n1C ZINC000005350233 220861961 /nfs/dbraw/zinc/86/19/61/220861961.db2.gz DANLNQJKXXZRCV-UHFFFAOYSA-N 0 0 389.411 3.152 50 0 GGAARN COc1ccc(OC)c(NC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)c1 ZINC000005388473 220862729 /nfs/dbraw/zinc/86/27/29/220862729.db2.gz QQAGFXWCTQEKML-UHFFFAOYSA-N 0 0 399.834 3.220 50 0 GGAARN O=C(Cn1nc(-c2cccc3ccccc32)ccc1=O)NCCc1ccccc1 ZINC000005399783 220864802 /nfs/dbraw/zinc/86/48/02/220864802.db2.gz ZRFCSYPSNMDOGM-UHFFFAOYSA-N 0 0 383.451 3.422 50 0 GGAARN CCOc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(Cl)cc3)n2)cc1 ZINC000005396460 220865347 /nfs/dbraw/zinc/86/53/47/220865347.db2.gz NKXIAEVEMOTXIE-UHFFFAOYSA-N 0 0 397.862 3.279 50 0 GGAARN CCOC(=O)c1cccc(NC(=O)[C@H](CC)n2cnc3ccccc3c2=O)c1 ZINC000005323607 220857598 /nfs/dbraw/zinc/85/75/98/220857598.db2.gz RCIMFCCUCOZJET-SFHVURJKSA-N 0 0 379.416 3.163 50 0 GGAARN COc1ccc(OC)c(NC(=O)COc2ccc3c(C)c(C)c(=O)oc3c2)c1 ZINC000005345596 220859161 /nfs/dbraw/zinc/85/91/61/220859161.db2.gz 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CCOc1ccccc1NC(=O)CCC(=O)Nc1nnc(CC(C)C)s1 ZINC000005551840 220881110 /nfs/dbraw/zinc/88/11/10/220881110.db2.gz JYYGMSBHRAFVKG-UHFFFAOYSA-N 0 0 376.482 3.493 50 0 GGAARN CCOC(=O)Cc1csc(NC(=O)CSc2nc3ccccc3o2)n1 ZINC000005628726 220888657 /nfs/dbraw/zinc/88/86/57/220888657.db2.gz QVIGJCOGXNECCQ-UHFFFAOYSA-N 0 0 377.447 3.121 50 0 GGAARN CC(C)COc1ccc(-c2nc3s/c(=C/c4ccccc4)c(=O)n3n2)cc1 ZINC000005689970 220892423 /nfs/dbraw/zinc/89/24/23/220892423.db2.gz AWEKAWZAJVJKCN-LDADJPATSA-N 0 0 377.469 3.401 50 0 GGAARN COc1ccc2oc(=O)c(C(=O)c3cc4cc(OC)ccc4oc3=O)cc2c1 ZINC000005745818 220896553 /nfs/dbraw/zinc/89/65/53/220896553.db2.gz YBHSRYKMANGQQS-UHFFFAOYSA-N 0 0 378.336 3.148 50 0 GGAARN Cc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000006204480 220924459 /nfs/dbraw/zinc/92/44/59/220924459.db2.gz UUPVESHLSGJUKR-INIZCTEOSA-N 0 0 382.485 3.131 50 0 GGAARN O=C(Cc1ccccc1F)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000006495706 220937869 /nfs/dbraw/zinc/93/78/69/220937869.db2.gz 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COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)c(Cl)c1Cl ZINC000009426007 221080593 /nfs/dbraw/zinc/08/05/93/221080593.db2.gz JNWOQWNAEDZBJK-UHFFFAOYSA-N 0 0 387.244 3.149 50 0 GGAARN Cc1ccc2cc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000009449093 221081476 /nfs/dbraw/zinc/08/14/76/221081476.db2.gz XHXHEFALVXHRFF-UHFFFAOYSA-N 0 0 376.865 3.311 50 0 GGAARN C[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)OCC(=O)c3ccc(F)cc3)cc2N1 ZINC000009427192 221081524 /nfs/dbraw/zinc/08/15/24/221081524.db2.gz HGJLMKYQMPJXOA-XPTSAGLGSA-N 0 0 385.317 3.369 50 0 GGAARN CC(C)Cn1c(SCC(=O)Nc2ccccc2O)nnc1-c1cccnc1 ZINC000009426921 221081540 /nfs/dbraw/zinc/08/15/40/221081540.db2.gz COGGECRAHCGLIE-UHFFFAOYSA-N 0 0 383.477 3.433 50 0 GGAARN CC(=O)Nc1cccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)c1 ZINC000009426848 221081693 /nfs/dbraw/zinc/08/16/93/221081693.db2.gz ZFKJWRJVEGLEKQ-UHFFFAOYSA-N 0 0 381.461 3.265 50 0 GGAARN C[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)OCC(=O)c3ccc(F)cc3)cc2N1 ZINC000009427191 221081826 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C[C@H]1CN(C(=O)COc2ccc3c(c2)occ(-c2ccccc2)c3=O)C[C@H](C)O1 ZINC000009486780 221082777 /nfs/dbraw/zinc/08/27/77/221082777.db2.gz HYPYXCDOMVKBMZ-HOTGVXAUSA-N 0 0 393.439 3.475 50 0 biogenic GGAARN COc1ccc(-c2nn3c(nnc(-c4ccc(C)cc4)c3=O)s2)c(OC)c1 ZINC000009485858 221083042 /nfs/dbraw/zinc/08/30/42/221083042.db2.gz NFUSSIJYKUJRLV-UHFFFAOYSA-N 0 0 380.429 3.206 50 0 GGAARN COCCn1c(C)cc(C(=O)CN2C(=O)COc3ccc(Cl)cc32)c1C ZINC000009485744 221083297 /nfs/dbraw/zinc/08/32/97/221083297.db2.gz WGNXENFXQPFWNI-UHFFFAOYSA-N 0 0 376.840 3.013 50 0 GGAARN C[C@H](NC(=O)COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1)c1ccccc1 ZINC000009525803 221084094 /nfs/dbraw/zinc/08/40/94/221084094.db2.gz QMBLANIDQSVOSW-LBPRGKRZSA-N 0 0 394.349 3.222 50 0 GGAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCC(=O)NC1CCCCC1 ZINC000009530280 221084223 /nfs/dbraw/zinc/08/42/23/221084223.db2.gz STVKQLQMVVMUHD-UHFFFAOYSA-N 0 0 395.550 3.143 50 0 GGAARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1CCCN(c2ncccn2)C1 ZINC000009575843 221084809 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Cc1cc(-c2nn3c(COc4ccc(Br)cc4)nnc3s2)no1 ZINC000009577208 221086763 /nfs/dbraw/zinc/08/67/63/221086763.db2.gz ZYBTYGSPDFGMKU-UHFFFAOYSA-N 0 0 392.238 3.491 50 0 GGAARN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000008972062 221066899 /nfs/dbraw/zinc/06/68/99/221066899.db2.gz PRFUWJBERSLIHN-UHFFFAOYSA-N 0 0 397.740 3.001 50 0 GGAARN Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NCc2cccnc2)cc1 ZINC000008979781 221067134 /nfs/dbraw/zinc/06/71/34/221067134.db2.gz QWQJDSVAFKFDMY-MRXNPFEDSA-N 0 0 392.484 3.445 50 0 GGAARN COc1ccc(Cl)cc1C(=O)NC[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008981996 221067185 /nfs/dbraw/zinc/06/71/85/221067185.db2.gz NMRLAJTWHLGMQH-GFCCVEGCSA-N 0 0 376.815 3.271 50 0 GGAARN Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NCc2ccncc2)cc1 ZINC000008979788 221067324 /nfs/dbraw/zinc/06/73/24/221067324.db2.gz QRLQRMLSGBUMET-INIZCTEOSA-N 0 0 392.484 3.445 50 0 GGAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2 ZINC000008977399 221067416 /nfs/dbraw/zinc/06/74/16/221067416.db2.gz 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0 GGAARN CN(C)[C@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000010334581 221101732 /nfs/dbraw/zinc/10/17/32/221101732.db2.gz DTPZAFRZXVYGAM-MRXNPFEDSA-N 0 0 383.311 3.030 50 0 GGAARN O=C(CCS(=O)(=O)Cc1ccccc1)Nc1cccc(Br)c1 ZINC000010620725 221105597 /nfs/dbraw/zinc/10/55/97/221105597.db2.gz PRZHJAIDVVFGBJ-UHFFFAOYSA-N 0 0 382.279 3.393 50 0 GGAARN CCn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1cc2ccccc2o1 ZINC000010681853 221106171 /nfs/dbraw/zinc/10/61/71/221106171.db2.gz DUEJALLPTYCURF-CQSZACIVSA-N 0 0 386.477 3.099 50 0 GGAARN COc1cc(OC)c(NC(=O)COC(=O)c2ccc(F)cc2F)cc1Cl ZINC000010871126 221108729 /nfs/dbraw/zinc/10/87/29/221108729.db2.gz JOKIGLJNHPHQRY-UHFFFAOYSA-N 0 0 385.750 3.431 50 0 GGAARN CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3C)cc2)nn1 ZINC000009626998 221087817 /nfs/dbraw/zinc/08/78/17/221087817.db2.gz KQCAPLMILHKZLF-UHFFFAOYSA-N 0 0 381.457 3.498 50 0 GGAARN COC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCc2ccccc2C1 ZINC000009646383 221088021 /nfs/dbraw/zinc/08/80/21/221088021.db2.gz 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221090166 /nfs/dbraw/zinc/09/01/66/221090166.db2.gz MFUXAXUZILKKBB-UHFFFAOYSA-N 0 0 396.426 3.343 50 0 GGAARN COc1ccc(NC(=O)CC(C)(C)CC(=O)NCc2ccccn2)c(OC)c1 ZINC000009805922 221091432 /nfs/dbraw/zinc/09/14/32/221091432.db2.gz GNSXACHQANPRKF-UHFFFAOYSA-N 0 0 385.464 3.160 50 0 GGAARN CCCCOCCCNC(=O)COCC(=O)Nc1cccc(Cl)c1Cl ZINC000009805710 221091673 /nfs/dbraw/zinc/09/16/73/221091673.db2.gz GIAIMZSNIMVARK-UHFFFAOYSA-N 0 0 391.295 3.272 50 0 GGAARN Fc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)cc1 ZINC000009762079 221091772 /nfs/dbraw/zinc/09/17/72/221091772.db2.gz WGADQXDJSMCRAI-UHFFFAOYSA-N 0 0 384.390 3.474 50 0 GGAARN Cc1cccc(Cc2cnc(NC(=O)c3cccc(-n4cnnn4)c3)s2)c1 ZINC000009764036 221091850 /nfs/dbraw/zinc/09/18/50/221091850.db2.gz QKXJQYSAUNPWDH-UHFFFAOYSA-N 0 0 376.445 3.270 50 0 GGAARN COc1cn(CC(=O)NC(C)(C)C)c(CSc2ccc(F)cc2)cc1=O ZINC000009816243 221092092 /nfs/dbraw/zinc/09/20/92/221092092.db2.gz SAZCDJVEXDKRPP-UHFFFAOYSA-N 0 0 378.469 3.203 50 0 GGAARN 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CCOC(=O)C1(CCc2ccccc2)CCN(C(=O)c2cnc(C)cn2)CC1 ZINC000011878573 221134768 /nfs/dbraw/zinc/13/47/68/221134768.db2.gz SNCNZGKBKIDTHQ-UHFFFAOYSA-N 0 0 381.476 3.203 50 0 GGAARN C[C@H](Sc1nc2c(c(=O)[nH]1)CCC2)C(=O)Nc1ccccc1C(F)(F)F ZINC000011902919 221134957 /nfs/dbraw/zinc/13/49/57/221134957.db2.gz SKWMGMYOSDVGRY-VIFPVBQESA-N 0 0 383.395 3.397 50 0 GGAARN O=C(Nc1ccccc1F)c1cc(-c2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000011027713 221110243 /nfs/dbraw/zinc/11/02/43/221110243.db2.gz GSARCIJXAGXXHB-HNNXBMFYSA-N 0 0 399.447 3.301 50 0 GGAARN Nn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc2ccccc2c1=O ZINC000011518968 221116333 /nfs/dbraw/zinc/11/63/33/221116333.db2.gz TUFQGJCTIVNUDE-UHFFFAOYSA-N 0 0 395.271 3.148 50 0 GGAARN Cn1cccc1[C@H](CNS(=O)(=O)c1ccc(F)cc1)N1CCCCCC1 ZINC000011897712 221135020 /nfs/dbraw/zinc/13/50/20/221135020.db2.gz KVNVSKDDYCANFB-IBGZPJMESA-N 0 0 379.501 3.060 50 0 GGAARN COc1ccccc1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000011612692 221116805 /nfs/dbraw/zinc/11/68/05/221116805.db2.gz 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COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cccc(F)c3)n2)cc1 ZINC000011693306 221122010 /nfs/dbraw/zinc/12/20/10/221122010.db2.gz PUSKUTVATWRWJW-UHFFFAOYSA-N 0 0 381.407 3.477 50 0 GGAARN Cc1ccnc(Nc2ccc(NCCNC(=O)Nc3ccccc3F)nn2)c1 ZINC000011696783 221122014 /nfs/dbraw/zinc/12/20/14/221122014.db2.gz AEMWOCWTNDJAJX-UHFFFAOYSA-N 0 0 381.415 3.296 50 0 GGAARN Cc1ccnc(Nc2ccc(NCCNC(=O)Nc3cccc(F)c3)nn2)c1 ZINC000011696779 221122071 /nfs/dbraw/zinc/12/20/71/221122071.db2.gz VWFFRDOIDLASAE-UHFFFAOYSA-N 0 0 381.415 3.296 50 0 GGAARN COCCCNC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 ZINC000011694426 221122116 /nfs/dbraw/zinc/12/21/16/221122116.db2.gz AGVNBBSTQIXVCP-UHFFFAOYSA-N 0 0 383.423 3.357 50 0 GGAARN O=C(NCCOc1ccc2nnc(-c3ccccc3Cl)n2n1)c1ccccc1 ZINC000011693923 221122194 /nfs/dbraw/zinc/12/21/94/221122194.db2.gz ARHKDYFKPMKMLU-UHFFFAOYSA-N 0 0 393.834 3.254 50 0 GGAARN O=C(NCCOc1ccc(F)cc1)[C@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000011707155 221122440 /nfs/dbraw/zinc/12/24/40/221122440.db2.gz XTQWXBZMWQFCDC-KRWDZBQOSA-N 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COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc3ccccc3c(=O)s2)c1 ZINC000012274406 221174938 /nfs/dbraw/zinc/17/49/38/221174938.db2.gz YVOIZESFONRASN-UHFFFAOYSA-N 0 0 397.408 3.087 50 0 GGAARN Cc1cnnn1-c1ccc(NC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000012273998 221175086 /nfs/dbraw/zinc/17/50/86/221175086.db2.gz AMLNHUNMPGRVKP-UHFFFAOYSA-N 0 0 393.838 3.371 50 0 GGAARN CC(=O)c1cccc(NC(=O)CNC(=O)N2CCc3c4ccccc4[nH]c3C2)c1 ZINC000012296985 221175528 /nfs/dbraw/zinc/17/55/28/221175528.db2.gz QKPUVBNASSAOIG-UHFFFAOYSA-N 0 0 390.443 3.077 50 0 biogenic GGAARN O=C(CCc1nnc(-c2ccsc2)o1)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000012299360 221176187 /nfs/dbraw/zinc/17/61/87/221176187.db2.gz ZFJSVOTXYIQARH-QGZVFWFLSA-N 0 0 398.488 3.334 50 0 GGAARN O=C(CCc1c[nH]c2ccccc12)NCCNC(=O)Cc1c[nH]c2ccccc12 ZINC000012297063 221176268 /nfs/dbraw/zinc/17/62/68/221176268.db2.gz WLIPHIRHZOOSIX-UHFFFAOYSA-N 0 0 388.471 3.057 50 0 biogenic GGAARN CC(=O)c1cccc(OCc2cc(C(=O)N(C)CC[C@H]3CCCCO3)no2)c1 ZINC000012298481 221176552 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Cc1ccc(OCc2cc(C(=O)N(C)CC[C@H](O)c3ccccc3)no2)cn1 ZINC000012304286 221177572 /nfs/dbraw/zinc/17/75/72/221177572.db2.gz YZLSLOTWFVQFJK-FQEVSTJZSA-N 0 0 381.432 3.153 50 0 GGAARN O=C(NCc1cccnc1)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC000012304150 221177634 /nfs/dbraw/zinc/17/76/34/221177634.db2.gz WDSIKXOZLDRYSP-UHFFFAOYSA-N 0 0 390.487 3.454 50 0 GGAARN Cc1ccc(Oc2ncccc2CNC(=O)[C@@H]2COc3ccccc3O2)cn1 ZINC000012305819 221177716 /nfs/dbraw/zinc/17/77/16/221177716.db2.gz HTDDJXLHYCESPH-IBGZPJMESA-N 0 0 377.400 3.034 50 0 GGAARN CCCc1cc(CN(C)C(=O)CCc2nnc(Cc3cccc(C)c3)o2)[nH]n1 ZINC000012302365 221177985 /nfs/dbraw/zinc/17/79/85/221177985.db2.gz NRVITEZRDMSCDH-UHFFFAOYSA-N 0 0 381.480 3.236 50 0 GGAARN O=C(CC[C@H]1CCCN(C(=O)CCc2ccccn2)C1)NCc1ccccc1F ZINC000012305851 221178124 /nfs/dbraw/zinc/17/81/24/221178124.db2.gz VKDWULRXYYJRCK-GOSISDBHSA-N 0 0 397.494 3.489 50 0 GGAARN CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)c1C ZINC000012304261 221178460 /nfs/dbraw/zinc/17/84/60/221178460.db2.gz VZFJBZZYBRWIMF-QGZVFWFLSA-N 0 0 397.475 3.322 50 0 GGAARN O=C(NCc1ccco1)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000012314545 221178949 /nfs/dbraw/zinc/17/89/49/221178949.db2.gz RZCAURKMFJYRMH-OAQYLSRUSA-N 0 0 385.439 3.143 50 0 GGAARN CSc1ccccc1OCc1cc(C(=O)N(C)CCc2cnn(C)c2)no1 ZINC000012314806 221179299 /nfs/dbraw/zinc/17/92/99/221179299.db2.gz JUIPTCANRLGDTF-UHFFFAOYSA-N 0 0 386.477 3.024 50 0 GGAARN COCCc1nc2ccc(C(=O)NCCCn3ncc4ccccc43)cc2o1 ZINC000012314184 221179367 /nfs/dbraw/zinc/17/93/67/221179367.db2.gz NMHKEWNFBNCJSZ-UHFFFAOYSA-N 0 0 378.432 3.187 50 0 GGAARN O=C(CCc1ccncc1)N1CC[C@@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000012307774 221179608 /nfs/dbraw/zinc/17/96/08/221179608.db2.gz OFMOFDGFTOVFRL-HSZRJFAPSA-N 0 0 383.536 3.436 50 0 GGAARN O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)N[C@@H]1CCc2ccccc21 ZINC000012314550 221179858 /nfs/dbraw/zinc/17/98/58/221179858.db2.gz TZESNGIIIWXKAB-QGZVFWFLSA-N 0 0 391.427 3.125 50 0 GGAARN CC(C)c1nccn1Cc1cc(C(=O)N[C@H](c2cccnc2)C(F)(F)F)[nH]n1 ZINC000012306111 221179908 /nfs/dbraw/zinc/17/99/08/221179908.db2.gz LSERZSXIJHLEPW-OAHLLOKOSA-N 0 0 392.385 3.206 50 0 GGAARN CC(C)Cn1c(CN2CCCCO2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000012307184 221179961 /nfs/dbraw/zinc/17/99/61/221179961.db2.gz NXCKRXVPPXJPAE-UHFFFAOYSA-N 0 0 377.510 3.040 50 0 GGAARN O=C(c1cn(CCC2CCCCC2)nn1)N1CCC[C@H](OCc2ccccn2)C1 ZINC000012306559 221180120 /nfs/dbraw/zinc/18/01/20/221180120.db2.gz LILYRTQJPFOOQU-FQEVSTJZSA-N 0 0 397.523 3.465 50 0 GGAARN CCOC(=O)C1(CC2CC2)CCN(S(=O)(=O)c2ccc(CC)s2)CC1 ZINC000012314598 221180159 /nfs/dbraw/zinc/18/01/59/221180159.db2.gz DSVWXXSSXTXPNV-UHFFFAOYSA-N 0 0 385.551 3.445 50 0 GGAARN O=C(CCC1CCN(C(=O)CCc2ccncc2)CC1)NCc1ccc(F)cc1 ZINC000012308804 221180223 /nfs/dbraw/zinc/18/02/23/221180223.db2.gz LBYBLXSKDRILMQ-UHFFFAOYSA-N 0 0 397.494 3.489 50 0 GGAARN O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1cn(C/C=C/c2ccccc2)nn1 ZINC000012373703 221185825 /nfs/dbraw/zinc/18/58/25/221185825.db2.gz 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221181309 /nfs/dbraw/zinc/18/13/09/221181309.db2.gz IKTDAJIXDWLLGK-UHFFFAOYSA-N 0 0 392.415 3.079 50 0 GGAARN Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC000012319562 221181607 /nfs/dbraw/zinc/18/16/07/221181607.db2.gz GWTZWTLXDQNJEB-GOSISDBHSA-N 0 0 381.476 3.364 50 0 GGAARN COc1ccc(/C=C2\N=C3SCN(c4ccccc4)CN3C2=O)cc1OC ZINC000012322321 221181825 /nfs/dbraw/zinc/18/18/25/221181825.db2.gz KQROPAPNZSYTIU-YBEGLDIGSA-N 0 0 381.457 3.411 50 0 GGAARN CC[C@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)N(C)CC(C)C)c1=O ZINC000012329440 221182174 /nfs/dbraw/zinc/18/21/74/221182174.db2.gz MXAIHUCDWPZAMO-HNNXBMFYSA-N 0 0 375.513 3.220 50 0 GGAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000012325083 221182811 /nfs/dbraw/zinc/18/28/11/221182811.db2.gz JLVANJIDVYADAF-HXUWFJFHSA-N 0 0 383.423 3.264 50 0 GGAARN O=c1c2cnc3nc(-c4ccccc4Cl)nn3c2ccn1Cc1ccccn1 ZINC000012324948 221183082 /nfs/dbraw/zinc/18/30/82/221183082.db2.gz LPEFRLQFHOLSPZ-UHFFFAOYSA-N 0 0 388.818 3.203 50 0 GGAARN COc1ccc(CCN2CC3=C(C2=O)[C@@H](c2ccccc2Cl)NC(=O)N3)cc1 ZINC000012345565 221183375 /nfs/dbraw/zinc/18/33/75/221183375.db2.gz NNNXTCKXARMVQJ-LJQANCHMSA-N 0 0 397.862 3.042 50 0 GGAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(=O)n(-c2ccccc2)c(=O)[nH]1 ZINC000012338529 221184094 /nfs/dbraw/zinc/18/40/94/221184094.db2.gz XUBIKBFEUZDLIF-UHFFFAOYSA-N 0 0 391.305 3.089 50 0 GGAARN CCC(=O)[C@@H]1CCCN(C(=O)CC[C@]2(Cc3ccc(F)cc3)CCC(=O)N2)C1 ZINC000012158384 221161184 /nfs/dbraw/zinc/16/11/84/221161184.db2.gz WEKWFNLHLLGHKD-VGSWGCGISA-N 0 0 388.483 3.015 50 0 GGAARN Cn1c(C2CCC2)nc2cc(C(=O)NC(C)(C)C)cc(NC(=O)[C@@H]3CCCO3)c21 ZINC000012167624 221161718 /nfs/dbraw/zinc/16/17/18/221161718.db2.gz BCZZXICTJRMHFR-KRWDZBQOSA-N 0 0 398.507 3.487 50 0 GGAARN COc1cc(C[C@@]2(CCC(=O)N3CCC[C@H](C)C3)CCC(=O)N2)ccc1F ZINC000012159410 221161802 /nfs/dbraw/zinc/16/18/02/221161802.db2.gz HUVZJNWBSHTSTQ-BTYIYWSLSA-N 0 0 376.472 3.064 50 0 GGAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(=O)c(OCc2ccc(F)cc2)c[nH]1 ZINC000012168739 221162037 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O=C(Cc1c[nH]c2ccccc12)N1CCC(=O)N(Cc2ccccc2F)CC1 ZINC000012245881 221172876 /nfs/dbraw/zinc/17/28/76/221172876.db2.gz HZTPBJMPCWXDNY-UHFFFAOYSA-N 0 0 379.435 3.111 50 0 GGAARN O=C(CSc1nnc(SCC(=O)c2ccccn2)s1)c1ccccn1 ZINC000012249800 221173003 /nfs/dbraw/zinc/17/30/03/221173003.db2.gz WJAJXTKDLDFNAQ-UHFFFAOYSA-N 0 0 388.499 3.278 50 0 GGAARN O=C(CSc1ncccn1)N1CCC[C@H](c2n[nH]cc2-c2ccccc2)C1 ZINC000012246230 221173067 /nfs/dbraw/zinc/17/30/67/221173067.db2.gz XFODWXQLWQRVKW-INIZCTEOSA-N 0 0 379.489 3.365 50 0 GGAARN CN(Cc1ccco1)Cc1nnc(SCc2ccccn2)n1C[C@H]1CCCO1 ZINC000012247385 221173626 /nfs/dbraw/zinc/17/36/26/221173626.db2.gz HYIOFFFDADFGLT-GOSISDBHSA-N 0 0 399.520 3.369 50 0 GGAARN CCOc1ccc(-n2nnnc2SCCC(=O)Nc2ccc(C)cc2)cc1 ZINC000012274120 221174063 /nfs/dbraw/zinc/17/40/63/221174063.db2.gz KMYPVBXWGSUFSD-UHFFFAOYSA-N 0 0 383.477 3.490 50 0 GGAARN COc1ccc(-c2ccnc(-n3ncc(C(=O)NC(C)C)c3C3CC3)n2)cc1F ZINC000012279781 221174132 /nfs/dbraw/zinc/17/41/32/221174132.db2.gz 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221190611 /nfs/dbraw/zinc/19/06/11/221190611.db2.gz SSNPUCTUUBMIAE-FKIZINRSSA-N 0 0 384.432 3.430 50 0 GGAARN CCn1cc(C(=O)Nc2ccc(C(=O)OC)cc2)c(=O)c2cc(OC)ccc21 ZINC000012408285 221190617 /nfs/dbraw/zinc/19/06/17/221190617.db2.gz AXSNDIAFKBQPPN-UHFFFAOYSA-N 0 0 380.400 3.069 50 0 GGAARN COc1ccccc1CNC(=O)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000012429227 221191012 /nfs/dbraw/zinc/19/10/12/221191012.db2.gz BFFTWVXDGFWRPV-FQEVSTJZSA-N 0 0 380.488 3.183 50 0 GGAARN COCCn1c(SCc2cccc(Cl)c2)nnc1-c1cn(C)nc1OC ZINC000012422671 221191107 /nfs/dbraw/zinc/19/11/07/221191107.db2.gz BMLYWTIOAHNHND-UHFFFAOYSA-N 0 0 393.900 3.279 50 0 GGAARN COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccoc3)CC2)c(Cl)c1 ZINC000012429748 221191140 /nfs/dbraw/zinc/19/11/40/221191140.db2.gz SAPWNCAKSXSVCB-UHFFFAOYSA-N 0 0 392.883 3.353 50 0 GGAARN COCCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012419502 221191210 /nfs/dbraw/zinc/19/12/10/221191210.db2.gz ZUJOWLXJEBQQFN-UHFFFAOYSA-N 0 0 382.825 3.479 50 0 GGAARN COc1ccc(N[C@H]2CCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)cc1 ZINC000012430711 221191362 /nfs/dbraw/zinc/19/13/62/221191362.db2.gz KGMQUTBLTLTVAA-IBGZPJMESA-N 0 0 393.487 3.144 50 0 GGAARN COCCCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000012419464 221191965 /nfs/dbraw/zinc/19/19/65/221191965.db2.gz CTUPZDZTTJQMIG-UHFFFAOYSA-N 0 0 380.397 3.355 50 0 GGAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCN(C)CC3)o2)cc1 ZINC000012419198 221192137 /nfs/dbraw/zinc/19/21/37/221192137.db2.gz OJIUJOCNRHRUAN-UHFFFAOYSA-N 0 0 397.500 3.235 50 0 GGAARN CCOC(=O)CCNC(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012430942 221192189 /nfs/dbraw/zinc/19/21/89/221192189.db2.gz LRJRYRQWYCVFAW-QGZVFWFLSA-N 0 0 390.480 3.031 50 0 GGAARN COCC1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1 ZINC000012437491 221193145 /nfs/dbraw/zinc/19/31/45/221193145.db2.gz HIXSARLCLUDBBN-GOSISDBHSA-N 0 0 392.927 3.006 50 0 GGAARN O=C(CC[C@@H]1CCCN(C(=O)c2cc3c(nc2Cl)CCC3)C1)NC1CC1 ZINC000012432223 221193200 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CCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cc(C)on3)n2)cc1 ZINC000012441037 221194705 /nfs/dbraw/zinc/19/47/05/221194705.db2.gz ACPKDSZVSSTPRS-UHFFFAOYSA-N 0 0 382.420 3.024 50 0 GGAARN O=C(Cc1cccnc1)N1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000012442995 221195084 /nfs/dbraw/zinc/19/50/84/221195084.db2.gz ANYKGFBJSVAGMQ-QFIPXVFZSA-N 0 0 385.458 3.417 50 0 GGAARN COc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)cn2n1 ZINC000012441297 221195136 /nfs/dbraw/zinc/19/51/36/221195136.db2.gz COIIZCMQSHCFAQ-UHFFFAOYSA-N 0 0 380.429 3.206 50 0 GGAARN C[C@@H](Oc1ccccc1)C(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 ZINC000012439518 221195222 /nfs/dbraw/zinc/19/52/22/221195222.db2.gz DXGUYIRUAKUUQF-MRXNPFEDSA-N 0 0 398.507 3.499 50 0 GGAARN CC(=O)c1cccc(OCc2cc(C(=O)N(C)[C@H](C)c3ccncn3)no2)c1 ZINC000012439469 221195287 /nfs/dbraw/zinc/19/52/87/221195287.db2.gz HIRRABYLPGSLST-CYBMUJFWSA-N 0 0 380.404 3.079 50 0 GGAARN Cc1cccc(NC(=O)Cn2c(=O)c3cnn(-c4ccccc4)c3nc2C2CC2)c1 ZINC000012441653 221195512 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CC(=O)c1ccc(N2CCN(CC(=O)N[C@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000013323418 221264783 /nfs/dbraw/zinc/26/47/83/221264783.db2.gz CWHMXXXNOXEGOO-GOSISDBHSA-N 0 0 379.504 3.197 50 0 GGAARN COc1ccccc1N1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000013326948 221264822 /nfs/dbraw/zinc/26/48/22/221264822.db2.gz TXFWMKKNJQZRDV-UHFFFAOYSA-N 0 0 381.295 3.482 50 0 GGAARN CCN(CCn1cccn1)C(=O)c1cc(COc2cccc3cccnc32)on1 ZINC000013593727 221275309 /nfs/dbraw/zinc/27/53/09/221275309.db2.gz OXJSARKWDGAWEA-UHFFFAOYSA-N 0 0 391.431 3.161 50 0 GGAARN O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC000013594265 221275766 /nfs/dbraw/zinc/27/57/66/221275766.db2.gz ZCQMXENLUQAJCM-IBGZPJMESA-N 0 0 386.451 3.307 50 0 GGAARN O=C(CCN1CCCO1)N1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000013594892 221275815 /nfs/dbraw/zinc/27/58/15/221275815.db2.gz WEMKWDOXSOVRQX-HNNXBMFYSA-N 0 0 384.398 3.154 50 0 GGAARN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(CO)o2)CC1 ZINC000013595146 221276890 /nfs/dbraw/zinc/27/68/90/221276890.db2.gz 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Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)CCCn2cncn2)CCO3)cc1 ZINC000067473180 222146560 /nfs/dbraw/zinc/14/65/60/222146560.db2.gz WTLBWNLMUQIEQO-UHFFFAOYSA-N 0 0 392.459 3.161 50 0 GGAARN CCN1CCN(Cc2cc(C(=O)NC3CC(C)(C)CC(C)(C)C3)no2)CC1 ZINC000067472841 222146573 /nfs/dbraw/zinc/14/65/73/222146573.db2.gz NYGGEVIGELOOSC-UHFFFAOYSA-N 0 0 376.545 3.147 50 0 GGAARN O=C(c1ccc(NCc2cccnc2)nc1)N1CCC(Oc2cccnc2)CC1 ZINC000067434072 222147161 /nfs/dbraw/zinc/14/71/61/222147161.db2.gz WGCWMWGHKYTVJR-UHFFFAOYSA-N 0 0 389.459 3.167 50 0 GGAARN Cc1cc(C)n2ncc(CN3CCC[C@H]3c3nc(-c4ccncc4)no3)c2n1 ZINC000067433327 222147304 /nfs/dbraw/zinc/14/73/04/222147304.db2.gz SENRZSODHJVOPK-KRWDZBQOSA-N 0 0 375.436 3.128 50 0 GGAARN CCn1ncc(C(=O)N2CCOc3c(O)cc(-c4cccnc4)cc3C2)c1C ZINC000067491369 222147886 /nfs/dbraw/zinc/14/78/86/222147886.db2.gz NUFPIKYYFPWVNR-UHFFFAOYSA-N 0 0 378.432 3.014 50 0 GGAARN Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(CCN1CCOCC1)C2 ZINC000067515161 222147911 /nfs/dbraw/zinc/14/79/11/222147911.db2.gz 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CCc1nnc(N2CCC3(CC(=O)N(Cc4cccc(OC)c4)C3)CC2)s1 ZINC000095497141 222331484 /nfs/dbraw/zinc/33/14/84/222331484.db2.gz QEOABPDDVVBPLS-UHFFFAOYSA-N 0 0 386.521 3.128 50 0 GGAARN COc1cccc(CN2CC3(CC2=O)CCN(C(=O)CSC(C)C)CC3)c1 ZINC000095497592 222332254 /nfs/dbraw/zinc/33/22/54/222332254.db2.gz OSSFWQKQNQGVOI-UHFFFAOYSA-N 0 0 390.549 3.178 50 0 GGAARN Cc1cc(C(=O)N2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cc(=O)[nH]1 ZINC000095498104 222332617 /nfs/dbraw/zinc/33/26/17/222332617.db2.gz FWYUFYJTZVFJAY-OAHLLOKOSA-N 0 0 385.439 3.094 50 0 GGAARN O=C(NCCCN1CCCC1=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000095497909 222332639 /nfs/dbraw/zinc/33/26/39/222332639.db2.gz XUDAHTGUCJFEOK-UHFFFAOYSA-N 0 0 381.407 3.376 50 0 GGAARN CCCCn1ccnc1[C@H]1CCCN(C(=O)c2ccccc2-c2nc[nH]n2)C1 ZINC000095498359 222332646 /nfs/dbraw/zinc/33/26/46/222332646.db2.gz PVQMJRVVBGWXDB-INIZCTEOSA-N 0 0 378.480 3.488 50 0 GGAARN O=C(C[C@H](c1ccccc1)c1ccccc1F)NC1CCS(=O)(=O)CC1 ZINC000095497660 222332668 /nfs/dbraw/zinc/33/26/68/222332668.db2.gz 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/nfs/dbraw/zinc/35/13/96/222351396.db2.gz SFBALBVGDULNNC-UHFFFAOYSA-N 0 0 376.416 3.137 50 0 GGAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3cnccn3)C2)c(C)c1 ZINC000095527216 222351427 /nfs/dbraw/zinc/35/14/27/222351427.db2.gz XYCZSOAMTGHPBS-MRXNPFEDSA-N 0 0 382.464 3.065 50 0 GGAARN Cc1cc(NC(=O)NCCc2noc(C3CCC3)n2)n(Cc2ccccc2)n1 ZINC000095526659 222351723 /nfs/dbraw/zinc/35/17/23/222351723.db2.gz FTGIYEHHSIFTSG-UHFFFAOYSA-N 0 0 380.452 3.255 50 0 GGAARN Cc1nc(N(C)C)ncc1C(=O)N1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000095528929 222352081 /nfs/dbraw/zinc/35/20/81/222352081.db2.gz UNTAUZWMBXPZGN-JOCHJYFZSA-N 0 0 396.491 3.065 50 0 GGAARN CNc1nc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cs1 ZINC000095529045 222352147 /nfs/dbraw/zinc/35/21/47/222352147.db2.gz SEYOODLGHNNJSC-OAHLLOKOSA-N 0 0 396.520 3.221 50 0 GGAARN Cc1cccn2c(F)c(C(=O)N3CCC(c4nccn4CC4CC4)CC3)nc12 ZINC000095529239 222352244 /nfs/dbraw/zinc/35/22/44/222352244.db2.gz YQEORIJTMPZXBF-UHFFFAOYSA-N 0 0 381.455 3.408 50 0 GGAARN O=C(c1cncc(Cl)c1)N1CCC(c2nccn2Cc2cccnc2)CC1 ZINC000095529140 222352288 /nfs/dbraw/zinc/35/22/88/222352288.db2.gz HIVDUKABAWYDGP-UHFFFAOYSA-N 0 0 381.867 3.395 50 0 GGAARN Cc1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)c(O)c1 ZINC000095531311 222352389 /nfs/dbraw/zinc/35/23/89/222352389.db2.gz PYBOPNQCGQBQOV-SFHVURJKSA-N 0 0 376.460 3.360 50 0 GGAARN CC(C)c1cc(C(=O)N2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)no1 ZINC000095530734 222352541 /nfs/dbraw/zinc/35/25/41/222352541.db2.gz WSJZJHOKCPSYHC-SFHVURJKSA-N 0 0 383.448 3.114 50 0 GGAARN Cc1c(CC(=O)NCC2(C)COC2)c2c(n1Cc1ccccc1)CCCC2=O ZINC000095529211 222352586 /nfs/dbraw/zinc/35/25/86/222352586.db2.gz RPKUAJSWUKBNSK-UHFFFAOYSA-N 0 0 380.488 3.059 50 0 GGAARN O=C(CS[C@H]1CC(=O)N(c2ccccc2F)C1=O)Nc1cccc(Cl)c1 ZINC000095528620 222353134 /nfs/dbraw/zinc/35/31/34/222353134.db2.gz SERSDIVNHSVPBY-HNNXBMFYSA-N 0 0 392.839 3.483 50 0 GGAARN CSc1ncccc1C(=O)N1CCC2(CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000095529779 222353241 /nfs/dbraw/zinc/35/32/41/222353241.db2.gz 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222380183 /nfs/dbraw/zinc/38/01/83/222380183.db2.gz ZZYVVNURPVUFCE-LBPRGKRZSA-N 0 0 398.278 3.121 50 0 GGAARN COc1ccc(CCS(=O)(=O)NCC[C@@H](O)c2cc3ccccc3o2)cc1 ZINC000096097294 222380405 /nfs/dbraw/zinc/38/04/05/222380405.db2.gz GMVLOAJRRVYVJJ-GOSISDBHSA-N 0 0 389.473 3.027 50 0 GGAARN O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1cc(=O)c2ccccc2o1 ZINC000096103744 222380615 /nfs/dbraw/zinc/38/06/15/222380615.db2.gz FOZNQKYHJXLIMA-UHFFFAOYSA-N 0 0 391.349 3.316 50 0 GGAARN O=S(=O)(Cc1cc(F)ccc1F)NCCn1ccc(-c2cccs2)n1 ZINC000096103878 222380633 /nfs/dbraw/zinc/38/06/33/222380633.db2.gz WORSFXNBVYQTPP-UHFFFAOYSA-N 0 0 383.445 3.009 50 0 GGAARN CO[C@H](CNS(=O)(=O)c1ccc(NC(=O)C(C)C)cc1)c1ccccc1C ZINC000096105092 222380956 /nfs/dbraw/zinc/38/09/56/222380956.db2.gz OHFACCVKXYVGLY-LJQANCHMSA-N 0 0 390.505 3.256 50 0 GGAARN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5c(cnc6nnnn65)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000096114848 222381349 /nfs/dbraw/zinc/38/13/49/222381349.db2.gz VGCHGCBICJGTNV-ARAPHXRWSA-N 0 0 381.524 3.228 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3.058 50 0 biogenic GGAARN CCOC(=O)c1[nH]c(C)c(C(=O)NCCn2ccc3c2cccc3OC)c1C ZINC000096116774 222383233 /nfs/dbraw/zinc/38/32/33/222383233.db2.gz LUMTUZNAOXVDPJ-UHFFFAOYSA-N 0 0 383.448 3.202 50 0 GGAARN COc1ccc2ccccc2c1CCC(=O)N1CC(S(=O)(=O)CC(C)C)C1 ZINC000096122004 222383547 /nfs/dbraw/zinc/38/35/47/222383547.db2.gz HXRQPBLRRTWVMS-UHFFFAOYSA-N 0 0 389.517 3.063 50 0 GGAARN O=C(Cn1nc(-c2ccco2)n(C2CC2)c1=O)Nc1ccccc1C(F)(F)F ZINC000096119126 222383601 /nfs/dbraw/zinc/38/36/01/222383601.db2.gz YRCSBDIUZAKHTM-UHFFFAOYSA-N 0 0 392.337 3.297 50 0 GGAARN O=C(Cc1ccc(F)cc1)NCCn1nc(-c2ccccn2)c2c1CCCC2 ZINC000096121486 222383675 /nfs/dbraw/zinc/38/36/75/222383675.db2.gz ATIUVFQEVXTLLU-UHFFFAOYSA-N 0 0 378.451 3.322 50 0 GGAARN COc1ccc(CNC(=O)NC[C@](C)(OC)c2ccccc2F)cc1OC ZINC000096123672 222383687 /nfs/dbraw/zinc/38/36/87/222383687.db2.gz GNPOAGMKFJHIPE-FQEVSTJZSA-N 0 0 376.428 3.204 50 0 GGAARN O=C(Cn1cnc2ccccc2c1=O)NCc1ccccc1-c1ccsc1 ZINC000096122943 222383692 /nfs/dbraw/zinc/38/36/92/222383692.db2.gz GJFDTLKXIGOOCH-UHFFFAOYSA-N 0 0 375.453 3.441 50 0 GGAARN O=C(Cc1ccc(F)cc1)NCCn1nc(-c2ccncc2)c2c1CCCC2 ZINC000096121443 222383830 /nfs/dbraw/zinc/38/38/30/222383830.db2.gz VJRYPHYHGUYAIK-UHFFFAOYSA-N 0 0 378.451 3.322 50 0 GGAARN CC[C@@](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)(OC)c1ccccc1 ZINC000096123804 222383849 /nfs/dbraw/zinc/38/38/49/222383849.db2.gz YKJRYTNNEPAEAN-IBGZPJMESA-N 0 0 378.831 3.486 50 0 GGAARN COc1ccc2cc(C(=O)NCC3CCN(C(=O)c4ccoc4)CC3)[nH]c2c1 ZINC000096120558 222383940 /nfs/dbraw/zinc/38/39/40/222383940.db2.gz KKKSLACMHHQYCP-UHFFFAOYSA-N 0 0 381.432 3.052 50 0 GGAARN CNC(=O)Cc1ccc(NC(=O)CCc2ccccc2Br)cc1 ZINC000096120177 222383957 /nfs/dbraw/zinc/38/39/57/222383957.db2.gz WNWIGDKTKBLMJL-UHFFFAOYSA-N 0 0 375.266 3.309 50 0 GGAARN COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccccc3C(F)(F)F)C2)cc1 ZINC000096121881 222384070 /nfs/dbraw/zinc/38/40/70/222384070.db2.gz OQUNQCNRUCNDGN-UHFFFAOYSA-N 0 0 399.390 3.012 50 0 GGAARN COC1(CNC(=O)C(=O)Nc2ccccc2SC)C2CC3CC(C2)CC1C3 ZINC000096123921 222384225 /nfs/dbraw/zinc/38/42/25/222384225.db2.gz YARKOMUXFRCPKN-UHFFFAOYSA-N 0 0 388.533 3.305 50 0 GGAARN Cc1ccccc1OCC(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2 ZINC000096121544 222384314 /nfs/dbraw/zinc/38/43/14/222384314.db2.gz XEWNVGOXAPSASY-UHFFFAOYSA-N 0 0 381.398 3.284 50 0 GGAARN COc1ccc(F)cc1S(=O)(=O)NCc1ccc(C(=O)c2ccco2)s1 ZINC000096119815 222384343 /nfs/dbraw/zinc/38/43/43/222384343.db2.gz QJIAOYBVXNCJED-UHFFFAOYSA-N 0 0 395.433 3.198 50 0 GGAARN O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(Oc2cccnn2)CC1 ZINC000096119321 222384669 /nfs/dbraw/zinc/38/46/69/222384669.db2.gz LEIIWUBVXXTWGP-UHFFFAOYSA-N 0 0 387.439 3.391 50 0 GGAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(Oc3cccnn3)CC2)cc1 ZINC000096119374 222384752 /nfs/dbraw/zinc/38/47/52/222384752.db2.gz COWFBNHNPAZSDH-UHFFFAOYSA-N 0 0 375.494 3.006 50 0 GGAARN Cc1ccc(N2CCCC2=O)cc1NC(=O)N(CCO)Cc1ccccc1F ZINC000096135813 222385337 /nfs/dbraw/zinc/38/53/37/222385337.db2.gz HVFIHASXKZCTSC-UHFFFAOYSA-N 0 0 385.439 3.287 50 0 GGAARN Cn1c(CN2CCCC2)nnc1C1CCN(Cc2cc(F)ccc2F)CC1 ZINC000096138801 222385671 /nfs/dbraw/zinc/38/56/71/222385671.db2.gz FSUFLOFNNXKQAE-UHFFFAOYSA-N 0 0 375.467 3.069 50 0 GGAARN O=C(c1n[nH]c2c1CCCC2)N(Cc1ccncc1)C[C@H](O)c1ccccc1 ZINC000096138036 222385840 /nfs/dbraw/zinc/38/58/40/222385840.db2.gz IKNORJNMFMEWQV-FQEVSTJZSA-N 0 0 376.460 3.060 50 0 GGAARN O=C1CC[C@@H](c2nc(C3CCOCC3)nn2Cc2c(F)cccc2Cl)CN1 ZINC000096138402 222385861 /nfs/dbraw/zinc/38/58/61/222385861.db2.gz UGFICECJNZCNOR-CYBMUJFWSA-N 0 0 392.862 3.007 50 0 GGAARN CC(C)S(=O)(=O)CCNC(=O)C[C@@H](c1ccccc1)c1ccccc1F ZINC000096137592 222385895 /nfs/dbraw/zinc/38/58/95/222385895.db2.gz SICJGOZDQAPLPH-SFHVURJKSA-N 0 0 377.481 3.287 50 0 GGAARN COCCN1C[C@H](CNC(=O)Nc2ccc(Cl)c3ccccc23)CC1=O ZINC000096136081 222386035 /nfs/dbraw/zinc/38/60/35/222386035.db2.gz CQUWAHLPYFNBOX-ZDUSSCGKSA-N 0 0 375.856 3.110 50 0 GGAARN Cc1c(NC(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cnn1C ZINC000096137499 222386040 /nfs/dbraw/zinc/38/60/40/222386040.db2.gz HZIYMLNFILEOMO-UHFFFAOYSA-N 0 0 382.386 3.263 50 0 GGAARN CN(Cc1noc(C2CCCC2)n1)C(=O)Nc1ccc(-c2nncn2C)cc1 ZINC000096133464 222386051 /nfs/dbraw/zinc/38/60/51/222386051.db2.gz ZCBOWIQJILVKDM-UHFFFAOYSA-N 0 0 381.440 3.187 50 0 GGAARN Cc1ccccc1C(=O)N1CCC(c2nnc(CN3CCCCC3)n2C)CC1 ZINC000096136106 222386171 /nfs/dbraw/zinc/38/61/71/222386171.db2.gz GOVYCPWBLXPZMX-UHFFFAOYSA-N 0 0 381.524 3.129 50 0 GGAARN O=C(CCc1ccccc1)C(=O)N1CCc2[nH]c(-c3cccc(F)c3)nc2C1 ZINC000096133641 222386372 /nfs/dbraw/zinc/38/63/72/222386372.db2.gz VANUCNNEGRHGRX-UHFFFAOYSA-N 0 0 377.419 3.302 50 0 GGAARN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)Nc1cc(F)c(C(F)(F)F)c(F)c1 ZINC000096137253 222386432 /nfs/dbraw/zinc/38/64/32/222386432.db2.gz KDCBQJMZWIPXOY-MRVPVSSYSA-N 0 0 377.313 3.116 50 0 GGAARN COc1cc(CN(C)S(=O)(=O)/C=C/c2ccccc2)cc(OC)c1OC ZINC000096136910 222386816 /nfs/dbraw/zinc/38/68/16/222386816.db2.gz FZUKMBBOAWAUBX-ZHACJKMWSA-N 0 0 377.462 3.145 50 0 GGAARN O=C(CC1CCCC1)N1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 ZINC000096141423 222387508 /nfs/dbraw/zinc/38/75/08/222387508.db2.gz HSEJGVCZUMPDGN-UHFFFAOYSA-N 0 0 382.512 3.144 50 0 GGAARN CCNC(=O)c1cccc(NC(=O)N[C@H](CC)c2cn3cccnc3n2)c1C ZINC000096139313 222387749 /nfs/dbraw/zinc/38/77/49/222387749.db2.gz GOIMWUASEVKCLK-OAHLLOKOSA-N 0 0 380.452 3.060 50 0 GGAARN Cc1nc(-c2ccc(NC(=O)NCCc3nc4c(s3)CCCC4)cc2)n[nH]1 ZINC000096141734 222387754 /nfs/dbraw/zinc/38/77/54/222387754.db2.gz LMNKTAXMMLYBBI-UHFFFAOYSA-N 0 0 382.493 3.480 50 0 GGAARN O=C(Nc1ccc2n[nH]nc2c1)NC1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000096139279 222388238 /nfs/dbraw/zinc/38/82/38/222388238.db2.gz ZQHVHCGYXRUIQL-UHFFFAOYSA-N 0 0 386.406 3.022 50 0 GGAARN CCn1c(CN(C)C)nnc1C1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000096142140 222388320 /nfs/dbraw/zinc/38/83/20/222388320.db2.gz JEADTTOJGNUOHU-UHFFFAOYSA-N 0 0 383.540 3.089 50 0 GGAARN Cc1noc(-c2ccc(NC(=O)NCc3nc(C)c4c(n3)CCCC4)cc2)n1 ZINC000096142252 222388604 /nfs/dbraw/zinc/38/86/04/222388604.db2.gz KBHCNCJBCPDDGA-UHFFFAOYSA-N 0 0 378.436 3.344 50 0 GGAARN Cn1ncc2cc(NC(=O)N[C@H]3CCCN(Cc4ccccc4F)C3)ccc21 ZINC000096141994 222388624 /nfs/dbraw/zinc/38/86/24/222388624.db2.gz IGNZSFJDPOROEJ-SFHVURJKSA-N 0 0 381.455 3.499 50 0 GGAARN Cc1cc(C)n(Cc2ccc(NC(=O)NC[C@H](CO)Cc3ccco3)cc2)n1 ZINC000096149429 222389867 /nfs/dbraw/zinc/38/98/67/222389867.db2.gz CSZPZHBLNMJGMO-GOSISDBHSA-N 0 0 382.464 3.114 50 0 GGAARN CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)c1csc(C(C)=O)c1 ZINC000096148721 222390222 /nfs/dbraw/zinc/39/02/22/222390222.db2.gz LHSAKUBLCLQPFU-UHFFFAOYSA-N 0 0 379.503 3.195 50 0 GGAARN Cc1cc(C)n([C@H]2CCN(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)C2)n1 ZINC000096149003 222390354 /nfs/dbraw/zinc/39/03/54/222390354.db2.gz XXQPEECTLIOEDV-IBGZPJMESA-N 0 0 382.443 3.363 50 0 GGAARN O=C(NCCn1ccc2ccccc21)Nc1ccc(CN2CCOCC2)cc1 ZINC000096149689 222390367 /nfs/dbraw/zinc/39/03/67/222390367.db2.gz VDYZXPXFRSZXAO-UHFFFAOYSA-N 0 0 378.476 3.295 50 0 GGAARN COC(=O)c1cc(NC(=O)N(C)CCc2noc(C(C)C)n2)ccc1Cl ZINC000096151550 222390938 /nfs/dbraw/zinc/39/09/38/222390938.db2.gz OKOACYHMWADKBQ-UHFFFAOYSA-N 0 0 380.832 3.339 50 0 GGAARN CNC(=O)c1cc(NC(=O)N[C@H](C)c2nc3c(s2)CCCC3)ccc1OC ZINC000096151339 222390951 /nfs/dbraw/zinc/39/09/51/222390951.db2.gz CFRVATHOMVRWFE-LLVKDONJSA-N 0 0 388.493 3.273 50 0 GGAARN C[C@H](NC(=O)Nc1ccc(CN2CCOCC2)cc1)c1nc2ccccc2[nH]1 ZINC000096152579 222390992 /nfs/dbraw/zinc/39/09/92/222390992.db2.gz VXVOKHKBZAVZRL-HNNXBMFYSA-N 0 0 379.464 3.278 50 0 GGAARN CCn1c(Cn2cccn2)nnc1C1CCN(C(=O)c2ccc(F)c(C)c2)CC1 ZINC000096151758 222391261 /nfs/dbraw/zinc/39/12/61/222391261.db2.gz ICDRIVBQXLTNMK-UHFFFAOYSA-N 0 0 396.470 3.010 50 0 GGAARN C[C@@H](NC(=O)Nc1ccc(CN2CCOCC2)cc1)c1nc2ccccc2[nH]1 ZINC000096152580 222391336 /nfs/dbraw/zinc/39/13/36/222391336.db2.gz VXVOKHKBZAVZRL-OAHLLOKOSA-N 0 0 379.464 3.278 50 0 GGAARN Cc1cnn(Cc2cccc(F)c2)c1NC(=O)N(C)Cc1nncn1C(C)C ZINC000096150475 222391451 /nfs/dbraw/zinc/39/14/51/222391451.db2.gz VUTWJXCIGYHTLU-UHFFFAOYSA-N 0 0 385.447 3.215 50 0 GGAARN O=C1CC[C@@H](c2nc(Cc3cccs3)nn2-c2cccc3c2CCC3)CN1 ZINC000096150384 222391473 /nfs/dbraw/zinc/39/14/73/222391473.db2.gz CBQIBEPRJIOVCD-OAHLLOKOSA-N 0 0 378.501 3.402 50 0 GGAARN CCn1c(CN(C)C)nnc1C1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000096151846 222391556 /nfs/dbraw/zinc/39/15/56/222391556.db2.gz BUUMCZLKPFQAHY-UHFFFAOYSA-N 0 0 375.561 3.426 50 0 GGAARN CN1c2ccccc2C2(CCN(C(=O)Nc3ccc4c(c3)COC4)CC2)C1=O ZINC000096150978 222391624 /nfs/dbraw/zinc/39/16/24/222391624.db2.gz CCDLOTVWEHUECB-UHFFFAOYSA-N 0 0 377.444 3.259 50 0 GGAARN Cc1cnn(CCCNC(=O)Nc2ccc(C(=O)NC(C)C)c(Cl)c2)c1 ZINC000096152710 222391825 /nfs/dbraw/zinc/39/18/25/222391825.db2.gz PZXCJODEPSRJGI-UHFFFAOYSA-N 0 0 377.876 3.195 50 0 GGAARN CN(C)Cc1nnc(C2CCN(C(=O)c3cc4ccccc4s3)CC2)n1C ZINC000096161816 222392969 /nfs/dbraw/zinc/39/29/69/222392969.db2.gz IJCMEUXFYJGWKU-UHFFFAOYSA-N 0 0 383.521 3.111 50 0 GGAARN C[C@@H](Cc1cnccn1)NC(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 ZINC000096162558 222393073 /nfs/dbraw/zinc/39/30/73/222393073.db2.gz ZOFLAZCIXOXXDI-INIZCTEOSA-N 0 0 381.480 3.246 50 0 GGAARN CCNC(=O)c1ccc(NC(=O)N2CC[C@@](O)(c3ccccc3)C2)cc1Cl ZINC000096162525 222393130 /nfs/dbraw/zinc/39/31/30/222393130.db2.gz KRZKVBBXGBYACD-FQEVSTJZSA-N 0 0 387.867 3.215 50 0 GGAARN CCn1nc(Cn2cncn2)nc1-c1ccc(CSc2ccccn2)cc1 ZINC000096162445 222393134 /nfs/dbraw/zinc/39/31/34/222393134.db2.gz GEYLDJKPZFDFCY-UHFFFAOYSA-N 0 0 377.477 3.292 50 0 GGAARN COCCn1c(C)cc2cc(NC(=O)NCc3csc(N(C)C)n3)ccc21 ZINC000096161916 222393437 /nfs/dbraw/zinc/39/34/37/222393437.db2.gz UQUXIBRSYJXIBI-UHFFFAOYSA-N 0 0 387.509 3.440 50 0 GGAARN Cc1ccccc1CSCc1nc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000096161649 222393764 /nfs/dbraw/zinc/39/37/64/222393764.db2.gz LXCQQPVLIFYGKP-MRXNPFEDSA-N 0 0 377.535 3.257 50 0 GGAARN CCC(=O)Nc1cc(NC(=O)NCCc2nc(C)c(C)s2)ccc1OC ZINC000096160006 222394138 /nfs/dbraw/zinc/39/41/38/222394138.db2.gz JDFLJYFDYREIHW-UHFFFAOYSA-N 0 0 376.482 3.481 50 0 GGAARN CC(C)CNC(=O)c1cccc(NC(=O)N(C)Cc2[nH]nc3c2CCCC3)c1 ZINC000096165306 222394401 /nfs/dbraw/zinc/39/44/01/222394401.db2.gz WZZRUFGHUBRJIO-UHFFFAOYSA-N 0 0 383.496 3.338 50 0 GGAARN CCn1nc(Cn2cncn2)nc1[C@@H]1CCCC[C@@H]1C(=O)c1ccc(C)cc1 ZINC000096165731 222394417 /nfs/dbraw/zinc/39/44/17/222394417.db2.gz MPWYOZUHKTZNNP-ZWKOTPCHSA-N 0 0 378.480 3.403 50 0 GGAARN COC(=O)c1cc(NC(=O)N2CCC[C@@H](Cn3ccnc3)C2)ccc1Cl ZINC000096164430 222394662 /nfs/dbraw/zinc/39/46/62/222394662.db2.gz GZWNGPNWMXHWCU-ZDUSSCGKSA-N 0 0 376.844 3.267 50 0 GGAARN O=C(Nc1ccc2c(c1)CCC2)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000096166084 222394729 /nfs/dbraw/zinc/39/47/29/222394729.db2.gz VQCFSTZBMXOOEH-HXUWFJFHSA-N 0 0 384.501 3.397 50 0 GGAARN Cc1nc2c(c(N(C)CCc3noc(C(C)C)n3)n1)Cc1ccccc1OC2 ZINC000096166037 222394792 /nfs/dbraw/zinc/39/47/92/222394792.db2.gz LIUBMPNMKOTPEU-UHFFFAOYSA-N 0 0 379.464 3.454 50 0 GGAARN O=C(Nc1ccccc1OC[C@@H]1CCCO1)N1CCC(Cn2cccn2)CC1 ZINC000096165116 222394914 /nfs/dbraw/zinc/39/49/14/222394914.db2.gz MVRYRJDPEXOGBA-SFHVURJKSA-N 0 0 384.480 3.385 50 0 GGAARN CCNC(=O)c1cccc(NC(=O)N2CCC[C@@H](OCc3ccccn3)C2)c1 ZINC000096166049 222395556 /nfs/dbraw/zinc/39/55/56/222395556.db2.gz OFDNURMCSOCQKN-LJQANCHMSA-N 0 0 382.464 3.044 50 0 GGAARN O=C(NCc1noc(-c2ccco2)n1)Nc1ccccc1OC[C@H]1CCCO1 ZINC000096164157 222395739 /nfs/dbraw/zinc/39/57/39/222395739.db2.gz BJKBSQHCROYYAU-CYBMUJFWSA-N 0 0 384.392 3.209 50 0 GGAARN O=C(NCc1noc(-c2ccco2)n1)Nc1ccccc1OC[C@@H]1CCCO1 ZINC000096164156 222395743 /nfs/dbraw/zinc/39/57/43/222395743.db2.gz BJKBSQHCROYYAU-ZDUSSCGKSA-N 0 0 384.392 3.209 50 0 GGAARN COCCOc1cccc(NC(=O)NC2CCN(C(=O)C3CCCC3)CC2)c1 ZINC000096164056 222395883 /nfs/dbraw/zinc/39/58/83/222395883.db2.gz VOFZZEMIGBKQRS-UHFFFAOYSA-N 0 0 389.496 3.015 50 0 GGAARN CC(C)c1noc([C@H]2CCCN(C(=O)Nc3cccc(-n4cnnc4)c3)C2)n1 ZINC000096166678 222395942 /nfs/dbraw/zinc/39/59/42/222395942.db2.gz XGRRZBGWDGTYFB-AWEZNQCLSA-N 0 0 381.440 3.185 50 0 GGAARN COc1cccc(-c2nc3c([nH]2)CCN(C(=O)COc2cccc(C)c2)C3)c1 ZINC000096180896 222397093 /nfs/dbraw/zinc/39/70/93/222397093.db2.gz SMOBGSMSQIYKNV-UHFFFAOYSA-N 0 0 377.444 3.357 50 0 GGAARN COc1ccc(-c2n[nH]cc2C(=O)NCCCc2nc3ccccc3n2C)cc1 ZINC000096223222 222398811 /nfs/dbraw/zinc/39/88/11/222398811.db2.gz FABAEFOJQKTBCU-UHFFFAOYSA-N 0 0 389.459 3.335 50 0 GGAARN O=C(Cn1nc(-c2ccco2)ccc1=O)N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000096223391 222399383 /nfs/dbraw/zinc/39/93/83/222399383.db2.gz NNGWAZIEDYEITD-GOSISDBHSA-N 0 0 388.427 3.178 50 0 GGAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000096223255 222399629 /nfs/dbraw/zinc/39/96/29/222399629.db2.gz AAOGXJBKXNQKSP-QGZVFWFLSA-N 0 0 391.427 3.315 50 0 GGAARN COc1ccccc1CCN1C[C@H](C(=O)Nc2cccc3c2ccn3C)CC1=O ZINC000096231476 222401886 /nfs/dbraw/zinc/40/18/86/222401886.db2.gz VRUHIQLWSGAOTB-QGZVFWFLSA-N 0 0 391.471 3.217 50 0 GGAARN COc1ccc(Cl)cc1C(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000096372091 222414384 /nfs/dbraw/zinc/41/43/84/222414384.db2.gz ZTIKXMRWBLJBPI-UHFFFAOYSA-N 0 0 393.892 3.427 50 0 GGAARN COC(=O)c1ccc([C@@H]2CC(=O)Nc3ncn(-c4ccc(OC)cc4)c32)cc1 ZINC000096335764 222414434 /nfs/dbraw/zinc/41/44/34/222414434.db2.gz UIWCWHCLRCAYAE-KRWDZBQOSA-N 0 0 377.400 3.142 50 0 GGAARN CSc1ccccc1NC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n1C ZINC000096347365 222414455 /nfs/dbraw/zinc/41/44/55/222414455.db2.gz VRBNLBHMLJWIOP-UHFFFAOYSA-N 0 0 378.457 3.469 50 0 GGAARN COC(=O)c1ccc([C@H]2CC(=O)Nc3ncn(-c4ccc(OC)cc4)c32)cc1 ZINC000096335765 222415245 /nfs/dbraw/zinc/41/52/45/222415245.db2.gz UIWCWHCLRCAYAE-QGZVFWFLSA-N 0 0 377.400 3.142 50 0 GGAARN COc1cccc([C@H](CNS(=O)(=O)c2ccc(OCC(C)C)cc2)OC)c1 ZINC000096390346 222418114 /nfs/dbraw/zinc/41/81/14/222418114.db2.gz MDMQOWNTSKAVJO-FQEVSTJZSA-N 0 0 393.505 3.396 50 0 GGAARN COc1cccc(-c2cccc(NC(=O)[C@H]3CCCCN3CC(=O)N(C)C)c2)c1 ZINC000095521870 222345900 /nfs/dbraw/zinc/34/59/00/222345900.db2.gz UUEAFHFGCAHCLZ-OAQYLSRUSA-N 0 0 395.503 3.243 50 0 GGAARN Cc1cc2c(cc1NC(=O)NCc1ccc(N3CCCC3=O)cc1)OCCO2 ZINC000097394450 222442722 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/nfs/dbraw/zinc/18/37/60/564183760.db2.gz DPWFIVPBTRWYHX-UHFFFAOYSA-N 0 0 388.214 3.160 50 0 GGAARN COc1ccccc1NC(=O)COc1c(Br)cc(C=O)cc1OC ZINC000001133272 564183851 /nfs/dbraw/zinc/18/38/51/564183851.db2.gz YWDYQIXHPOXLSE-UHFFFAOYSA-N 0 0 394.221 3.296 50 0 GGAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(I)cc1 ZINC000001220006 564184139 /nfs/dbraw/zinc/18/41/39/564184139.db2.gz RGXGNYLBLJFACE-UHFFFAOYSA-N 0 0 381.169 3.315 50 0 GGAARN COC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(Br)cc1 ZINC000001402238 564185480 /nfs/dbraw/zinc/18/54/80/564185480.db2.gz IINOEWPDDBBIEM-UHFFFAOYSA-N 0 0 394.246 3.427 50 0 GGAARN CC1(C)[C@H](C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)[C@H]1C=C(Cl)Cl ZINC000002105568 564186329 /nfs/dbraw/zinc/18/63/29/564186329.db2.gz ZIFAXEHLCCOZFX-ZBYUQBLASA-N 0 0 381.303 3.385 50 0 biogenic GGAARN CN(Cc1nc(-c2ccccn2)no1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002232353 564186358 /nfs/dbraw/zinc/18/63/58/564186358.db2.gz BTCOVCMKROTARR-UHFFFAOYSA-N 0 0 399.259 3.259 50 0 GGAARN CCOC(=O)N[C@](Nc1ccc(F)c(Cl)c1)(C(=O)OCC)C(F)(F)F ZINC000002274497 564186377 /nfs/dbraw/zinc/18/63/77/564186377.db2.gz FVMBLFGURJXCGA-CYBMUJFWSA-N 0 0 386.729 3.459 50 0 GGAARN CCOP(=O)(OCC)[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(N)=O ZINC000002257311 564186537 /nfs/dbraw/zinc/18/65/37/564186537.db2.gz IPFNBDRGKHJRSB-GFCCVEGCSA-N 0 0 398.183 3.192 50 0 GGAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000002105566 564186886 /nfs/dbraw/zinc/18/68/86/564186886.db2.gz ZIFAXEHLCCOZFX-PFHKOEEOSA-N 0 0 381.303 3.385 50 0 biogenic GGAARN Nn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1F ZINC000002373393 564187286 /nfs/dbraw/zinc/18/72/86/564187286.db2.gz XZSSAYQYZZULPE-UHFFFAOYSA-N 0 0 377.832 3.182 50 0 GGAARN COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(Br)cc1 ZINC000002472770 564187371 /nfs/dbraw/zinc/18/73/71/564187371.db2.gz WBGSVKBXZRNXHR-TVQRCGJNSA-N 0 0 395.278 3.271 50 0 GGAARN Nn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1Cl ZINC000002349194 564187384 /nfs/dbraw/zinc/18/73/84/564187384.db2.gz DCVQUOHNCZJGOZ-UHFFFAOYSA-N 0 0 377.832 3.182 50 0 GGAARN COC(=O)[C@@]1(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)OC(N(C)C)=N1 ZINC000002341361 564187487 /nfs/dbraw/zinc/18/74/87/564187487.db2.gz HLRWBWRYEKWPOL-CYBMUJFWSA-N 0 0 398.168 3.119 50 0 GGAARN Cc1ccccc1-c1nc2s/c(=C\c3ccc(Br)cc3)c(=O)n2n1 ZINC000002381776 564187650 /nfs/dbraw/zinc/18/76/50/564187650.db2.gz RCZKXKUEFQYSHA-GDNBJRDFSA-N 0 0 398.285 3.437 50 0 GGAARN O=C(/C=C/c1ccco1)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000002387892 564187685 /nfs/dbraw/zinc/18/76/85/564187685.db2.gz LRBKZRMLOGQMJV-FYCOFBDGSA-N 0 0 379.865 3.162 50 0 GGAARN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000002467715 564187748 /nfs/dbraw/zinc/18/77/48/564187748.db2.gz GFECVKMIKKNQGZ-AWEZNQCLSA-N 0 0 398.937 3.119 50 0 GGAARN Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccn1 ZINC000002445681 564187807 /nfs/dbraw/zinc/18/78/07/564187807.db2.gz XSWUIUFFRUZGNX-UHFFFAOYSA-N 0 0 377.832 3.400 50 0 GGAARN Nn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccco1 ZINC000002437531 564187856 /nfs/dbraw/zinc/18/78/56/564187856.db2.gz HPVUWIVYNSAPOQ-UHFFFAOYSA-N 0 0 384.248 3.290 50 0 GGAARN CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002324078 564187864 /nfs/dbraw/zinc/18/78/64/564187864.db2.gz ZPRRUZCMZXPZQZ-UHFFFAOYSA-N 0 0 399.259 3.259 50 0 GGAARN O=S(=O)(NCCSCc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000002503372 564188305 /nfs/dbraw/zinc/18/83/05/564188305.db2.gz OMUOPOKRFRMXSF-UHFFFAOYSA-N 0 0 399.921 3.323 50 0 GGAARN Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c(Br)c1 ZINC000002592790 564188411 /nfs/dbraw/zinc/18/84/11/564188411.db2.gz QQONITRXTOZERS-UHFFFAOYSA-N 0 0 387.233 3.382 50 0 GGAARN CCOc1cc(CO)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000002554772 564188625 /nfs/dbraw/zinc/18/86/25/564188625.db2.gz IXFMSOVILNCXJR-UHFFFAOYSA-N 0 0 380.238 3.358 50 0 GGAARN O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002648655 564188701 /nfs/dbraw/zinc/18/87/01/564188701.db2.gz LJNORSTUHZGXCU-UHFFFAOYSA-N 0 0 378.881 3.379 50 0 GGAARN Cc1cc(C)nc(SCC(=O)Nc2ccc(I)cc2)n1 ZINC000002570695 564188725 /nfs/dbraw/zinc/18/87/25/564188725.db2.gz VMFHBJQHFFFHEC-UHFFFAOYSA-N 0 0 399.257 3.429 50 0 GGAARN COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1cccc(Br)c1 ZINC000002503538 564188747 /nfs/dbraw/zinc/18/87/47/564188747.db2.gz GWVVXETUHUBSQW-TVQRCGJNSA-N 0 0 395.278 3.271 50 0 GGAARN COc1cccc(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 ZINC000002544888 564188850 /nfs/dbraw/zinc/18/88/50/564188850.db2.gz SXINBTUNNFRHAK-UHFFFAOYSA-N 0 0 378.215 3.351 50 0 GGAARN COc1ccc(S(=O)(=O)c2cc3cc(Cl)ccc3oc2=O)cc1OC ZINC000002689577 564189445 /nfs/dbraw/zinc/18/94/45/564189445.db2.gz WHKJWWCIKDBZII-UHFFFAOYSA-N 0 0 380.805 3.296 50 0 GGAARN O=S(=O)(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1cccs1 ZINC000002766681 564189507 /nfs/dbraw/zinc/18/95/07/564189507.db2.gz SMJDCYCHJMXYDB-UHFFFAOYSA-N 0 0 379.429 3.209 50 0 GGAARN COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000002696586 564189519 /nfs/dbraw/zinc/18/95/19/564189519.db2.gz ITXBYGQSSIXADH-UHFFFAOYSA-N 0 0 380.897 3.168 50 0 GGAARN Cc1c(C(=O)OC(C)C)sc(NC(=O)/C=C/c2cccs2)c1C(N)=O ZINC000002737816 564189748 /nfs/dbraw/zinc/18/97/48/564189748.db2.gz IAOIAOBPPIPQAF-VOTSOKGWSA-N 0 0 378.475 3.434 50 0 GGAARN CSc1cccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000002813064 564190220 /nfs/dbraw/zinc/19/02/20/564190220.db2.gz TUFNVTBLASFQSS-UHFFFAOYSA-N 0 0 378.519 3.430 50 0 GGAARN CCn1cc(CN(C)C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)cn1 ZINC000002779649 564190237 /nfs/dbraw/zinc/19/02/37/564190237.db2.gz RLGPJVRZDHPGLP-SNVBAGLBSA-N 0 0 377.798 3.300 50 0 GGAARN Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000002781528 564190321 /nfs/dbraw/zinc/19/03/21/564190321.db2.gz QRYBBQMQWCFIFY-PSASIEDQSA-N 0 0 398.223 3.047 50 0 GGAARN Cc1cc(NC(=O)c2ccn(COc3ccc(Br)cc3)n2)no1 ZINC000002788334 564190351 /nfs/dbraw/zinc/19/03/51/564190351.db2.gz HRWDTZJYZDFKSC-UHFFFAOYSA-N 0 0 377.198 3.231 50 0 GGAARN Cc1nn(C)cc1NC(=O)[C@@H](C)n1nc(C(F)F)c(Br)c1C ZINC000002778822 564190396 /nfs/dbraw/zinc/19/03/96/564190396.db2.gz JNLKUILYMSKHNU-MRVPVSSYSA-N 0 0 376.205 3.133 50 0 GGAARN CS(=O)(=O)Nc1nn(Cc2ccc(Cl)c(Cl)c2)cc1Br ZINC000002771174 564190402 /nfs/dbraw/zinc/19/04/02/564190402.db2.gz WWOVLBNZGDOTEE-UHFFFAOYSA-N 0 0 399.097 3.372 50 0 GGAARN COc1ccccc1NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000002812996 564190446 /nfs/dbraw/zinc/19/04/46/564190446.db2.gz VRMQMIKDTPEEIO-UHFFFAOYSA-N 0 0 382.869 3.062 50 0 GGAARN CCSc1nnc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)s1 ZINC000002780855 564190508 /nfs/dbraw/zinc/19/05/08/564190508.db2.gz UCTYULHNTOVHBE-UHFFFAOYSA-N 0 0 377.417 3.382 50 0 GGAARN Cc1nn(C)cc1CNC(=O)c1cc(Br)c(Br)s1 ZINC000002785241 564190556 /nfs/dbraw/zinc/19/05/56/564190556.db2.gz VQBHKDSWGNDGFN-UHFFFAOYSA-N 0 0 393.104 3.245 50 0 GGAARN CC(=O)c1cc2c(cc1NC(=O)[C@@H](C)n1ncc(Br)c1C)OCO2 ZINC000002802880 564190616 /nfs/dbraw/zinc/19/06/16/564190616.db2.gz SXAMUAGUWHPLJF-SECBINFHSA-N 0 0 394.225 3.085 50 0 GGAARN CCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002817014 564190705 /nfs/dbraw/zinc/19/07/05/564190705.db2.gz WVBIYUCINYZGKZ-UHFFFAOYSA-N 0 0 387.288 3.325 50 0 GGAARN Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1cnn(C)c1C ZINC000002781200 564190759 /nfs/dbraw/zinc/19/07/59/564190759.db2.gz RBUDPBYYWXERFV-MRVPVSSYSA-N 0 0 394.195 3.214 50 0 GGAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002809481 564190802 /nfs/dbraw/zinc/19/08/02/564190802.db2.gz XITVZFVGFAWLCW-UHFFFAOYSA-N 0 0 379.306 3.185 50 0 GGAARN C[C@@H](C(=O)Nc1c(F)cccc1F)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000002882080 564191187 /nfs/dbraw/zinc/19/11/87/564191187.db2.gz FUDNIKXFNRNGEK-JTQLQIEISA-N 0 0 388.823 3.411 50 0 GGAARN COc1cccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)c1 ZINC000002884174 564191227 /nfs/dbraw/zinc/19/12/27/564191227.db2.gz KZDHBWHEARNZRL-UHFFFAOYSA-N 0 0 380.267 3.288 50 0 GGAARN C[C@H]1CCc2c(sc3ncnc(SCC(=O)NC[C@@H]4CCCO4)c32)C1 ZINC000002889379 564191274 /nfs/dbraw/zinc/19/12/74/564191274.db2.gz VHZUZTUXDCYHEN-RYUDHWBXSA-N 0 0 377.535 3.203 50 0 GGAARN Cc1ccc(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c(OC(F)F)c1 ZINC000002859099 564191324 /nfs/dbraw/zinc/19/13/24/564191324.db2.gz IGXUTQSPKFEPJM-UHFFFAOYSA-N 0 0 387.433 3.053 50 0 GGAARN NC(=O)c1c(NC(=S)NC(=O)c2ccccc2Cl)sc2c1CCC2 ZINC000002901797 564191376 /nfs/dbraw/zinc/19/13/76/564191376.db2.gz CWWDUCFRJAUOSH-UHFFFAOYSA-N 0 0 379.894 3.116 50 0 GGAARN NC(=O)c1c2c(sc1NC(=O)c1c(F)c(F)c(F)c(F)c1F)CCC2 ZINC000002846236 564191418 /nfs/dbraw/zinc/19/14/18/564191418.db2.gz GXYWZUSOHMGAEX-UHFFFAOYSA-N 0 0 376.306 3.284 50 0 GGAARN CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(C)cc2OCC)C1 ZINC000002887741 564191503 /nfs/dbraw/zinc/19/15/03/564191503.db2.gz KGISYMOLNZHHJR-ZDUSSCGKSA-N 0 0 389.901 3.011 50 0 GGAARN NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000002890656 564191515 /nfs/dbraw/zinc/19/15/15/564191515.db2.gz LSESMKFQZCLEEO-UHFFFAOYSA-N 0 0 388.276 3.005 50 0 GGAARN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1F ZINC000002876574 564191669 /nfs/dbraw/zinc/19/16/69/564191669.db2.gz GLMRZRNRHPPOKS-SECBINFHSA-N 0 0 391.251 3.438 50 0 GGAARN CCSCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C ZINC000002881585 564191781 /nfs/dbraw/zinc/19/17/81/564191781.db2.gz FHNLIGYBHKKFSV-UHFFFAOYSA-N 0 0 379.536 3.409 50 0 GGAARN CSc1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000002852393 564191834 /nfs/dbraw/zinc/19/18/34/564191834.db2.gz IRHRNYQQUZDAPO-UHFFFAOYSA-N 0 0 378.519 3.430 50 0 GGAARN CCNC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000002868315 564191872 /nfs/dbraw/zinc/19/18/72/564191872.db2.gz RCYBXQGTEUIOKJ-UHFFFAOYSA-N 0 0 387.288 3.325 50 0 GGAARN O=c1c2ccccc2ncn1CCOCCOc1cccc(Br)c1 ZINC000003001281 564192156 /nfs/dbraw/zinc/19/21/56/564192156.db2.gz GNPFKLCUMKFSBC-UHFFFAOYSA-N 0 0 389.249 3.255 50 0 GGAARN Cc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000002958589 564192289 /nfs/dbraw/zinc/19/22/89/564192289.db2.gz NPVWTQTXGDKQGU-CQSZACIVSA-N 0 0 380.897 3.292 50 0 GGAARN O=S(=O)(Nc1ccccc1F)c1ccc(I)cc1 ZINC000002999047 564192347 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O=S(=O)(c1ccc(F)cc1F)N1CCC2(CC1)OCCc1ccsc12 ZINC000486616397 566603885 /nfs/dbraw/zinc/60/38/85/566603885.db2.gz CJAIGHDELALRPX-UHFFFAOYSA-N 0 0 385.457 3.279 50 0 GGAARN COc1ccc(Br)c(C(=O)N2CCC[C@H](c3cnn(C)c3)C2)c1 ZINC000681293262 566965694 /nfs/dbraw/zinc/96/56/94/566965694.db2.gz RTIIZVDVVQSZQA-LBPRGKRZSA-N 0 0 378.270 3.211 50 0 GGAARN O=C(Nc1ccc(Br)cc1)c1ncn(C[C@@H](O)c2ccccc2)n1 ZINC000583649482 566970908 /nfs/dbraw/zinc/97/09/08/566970908.db2.gz PCAOMZDCNFGIAQ-OAHLLOKOSA-N 0 0 387.237 3.027 50 0 GGAARN CSCc1nc(CNC(=O)N(C)Cc2nc3ccccc3n2C)cs1 ZINC000584891288 567077063 /nfs/dbraw/zinc/07/70/63/567077063.db2.gz KGOWXRPWWXKHGO-UHFFFAOYSA-N 0 0 375.523 3.234 50 0 GGAARN O=c1ccccn1CCc1nc([C@@H](O)c2ccccc2)nn1C1CCCCC1 ZINC000096130247 570210276 /nfs/dbraw/zinc/21/02/76/570210276.db2.gz VWGPXULRFOCJGC-NRFANRHFSA-N 0 0 378.476 3.269 50 0 GGAARN COc1ccc(C(C)=O)cc1NC(=O)N(C)C[C@H]1Cc2ccccc2CN1C ZINC000096131044 570210757 /nfs/dbraw/zinc/21/07/57/570210757.db2.gz 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GGAARN O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc(F)cc1 ZINC000004305282 570218707 /nfs/dbraw/zinc/21/87/07/570218707.db2.gz HARDPAYSKXFTQB-LJQANCHMSA-N 0 0 393.418 3.277 50 0 GGAARN O=c1cc(CN2CCc3[nH]nc(-c4ccco4)c3C2)c2cccc3c2n1CCC3 ZINC000019789548 570218947 /nfs/dbraw/zinc/21/89/47/570218947.db2.gz MGAUWBVUQPATTN-UHFFFAOYSA-N 0 0 386.455 3.489 50 0 GGAARN O=C(COc1coc(CN2CCc3ccccc32)cc1=O)Nc1ccccc1F ZINC000004304628 570219243 /nfs/dbraw/zinc/21/92/43/570219243.db2.gz SMUMJVDCBTVCGX-UHFFFAOYSA-N 0 0 394.402 3.359 50 0 GGAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCCN1CCOCC1 ZINC000019791398 570219301 /nfs/dbraw/zinc/21/93/01/570219301.db2.gz KKANMWCMZAHKEQ-UHFFFAOYSA-N 0 0 398.290 3.409 50 0 GGAARN Cc1ccc(N2C(=O)C(Cl)=C(N3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000019792808 570219417 /nfs/dbraw/zinc/21/94/17/570219417.db2.gz QLNKMPPGZDUPGW-UHFFFAOYSA-N 0 0 395.890 3.136 50 0 GGAARN COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cn4ccsc4n3)C2)c(C)c1 ZINC000019795281 570219811 /nfs/dbraw/zinc/21/98/11/570219811.db2.gz TWUNQYCZDCPKCL-AWEZNQCLSA-N 0 0 383.473 3.448 50 0 GGAARN Cc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc2c(c1)OCCO2)CC3 ZINC000019796827 570219931 /nfs/dbraw/zinc/21/99/31/570219931.db2.gz ROBJLBQOQHDNGQ-UHFFFAOYSA-N 0 0 382.441 3.066 50 0 GGAARN COc1ccc(CCCNC(=O)c2ccc(N3CCC[C@H](OC)C3)nc2)cc1 ZINC000019794865 570219933 /nfs/dbraw/zinc/21/99/33/570219933.db2.gz DFZRMWWBSBISPC-FQEVSTJZSA-N 0 0 383.492 3.068 50 0 GGAARN COc1cc(OC)cc(C(=O)NC(=S)N2CCCC[C@H]2c2cccnc2)c1 ZINC000001442181 570220123 /nfs/dbraw/zinc/22/01/23/570220123.db2.gz LSNOHYQIJSBYPH-SFHVURJKSA-N 0 0 385.489 3.341 50 0 biogenic GGAARN COc1ccc(C(=O)NC(=S)N2CCCC[C@H]2c2cccnc2)cc1OC ZINC000001442179 570220192 /nfs/dbraw/zinc/22/01/92/570220192.db2.gz NBSGYTDQQVCASP-INIZCTEOSA-N 0 0 385.489 3.341 50 0 biogenic GGAARN c1ccc(OCCSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1 ZINC000019804432 570220619 /nfs/dbraw/zinc/22/06/19/570220619.db2.gz LYZMBUIZYWSEGH-UHFFFAOYSA-N 0 0 396.516 3.271 50 0 GGAARN CCOC(=O)c1c2cc(O)ccc2n(-c2ccccc2)c1CN1CCOCC1 ZINC000019805491 570220723 /nfs/dbraw/zinc/22/07/23/570220723.db2.gz HBKZEMADTJMVHS-UHFFFAOYSA-N 0 0 380.444 3.345 50 0 biogenic GGAARN COc1ccc2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)ccc2c1 ZINC000019810025 570221214 /nfs/dbraw/zinc/22/12/14/570221214.db2.gz SGUXYKZSKFLTMI-UHFFFAOYSA-N 0 0 396.512 3.355 50 0 GGAARN O=C1C[C@@H](N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000019809346 570221240 /nfs/dbraw/zinc/22/12/40/570221240.db2.gz YMXGUSHYKPUVQO-LJQANCHMSA-N 0 0 392.434 3.214 50 0 GGAARN O[C@H](COCc1ccc(Cl)cc1)CN1CCN(c2ccccc2F)CC1 ZINC000019809634 570221318 /nfs/dbraw/zinc/22/13/18/570221318.db2.gz ROCPNZLCVYDPDI-SFHVURJKSA-N 0 0 378.875 3.179 50 0 GGAARN CCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(Cl)cc1)C3 ZINC000019821133 570222704 /nfs/dbraw/zinc/22/27/04/570222704.db2.gz QAFFOLSXTVPEJS-GFCCVEGCSA-N 0 0 383.835 3.061 50 0 GGAARN Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc2c[nH]nc2c1 ZINC000019825140 570222716 /nfs/dbraw/zinc/22/27/16/570222716.db2.gz ONGYZNOCHMKGMX-UHFFFAOYSA-N 0 0 384.490 3.075 50 0 GGAARN CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)NCCCN2CCOCC2)cc1 ZINC000019822906 570222778 /nfs/dbraw/zinc/22/27/78/570222778.db2.gz AIGJNWUCUGXQSX-SFHVURJKSA-N 0 0 389.540 3.003 50 0 GGAARN CCOC(=O)C[C@H]1COCCN1Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000019838129 570224321 /nfs/dbraw/zinc/22/43/21/570224321.db2.gz WGJMWRJCDZASSX-SFHVURJKSA-N 0 0 379.460 3.384 50 0 GGAARN OCC[C@@H]1CN(Cc2cccn2-c2ccccn2)CCN1Cc1ccsc1 ZINC000019840405 570224606 /nfs/dbraw/zinc/22/46/06/570224606.db2.gz PZKWQJHGPRQLOT-LJQANCHMSA-N 0 0 382.533 3.003 50 0 GGAARN CCOc1cc(CN2CCN(C(=O)COc3ccc(C)cc3)CC2)ccc1OC ZINC000019841943 570225161 /nfs/dbraw/zinc/22/51/61/570225161.db2.gz UUGLXRSOXMMLNK-UHFFFAOYSA-N 0 0 398.503 3.126 50 0 GGAARN CCn1c2ccccc2c2cc(CN3CCN(S(=O)(=O)CC)CC3)ccc21 ZINC000019842701 570225360 /nfs/dbraw/zinc/22/53/60/570225360.db2.gz NUGWJFUWGRBLBK-UHFFFAOYSA-N 0 0 385.533 3.282 50 0 GGAARN CN1C(=O)[C@H]2[C@@H]3c4ccccc4C=CN3[C@@H](C(=O)c3ccc(Cl)cc3)[C@H]2C1=O ZINC000019853359 570225539 /nfs/dbraw/zinc/22/55/39/570225539.db2.gz CFNRMTORAZLREV-YDZRNGNQSA-N 0 0 392.842 3.164 50 0 GGAARN CCSc1ccccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019849983 570225589 /nfs/dbraw/zinc/22/55/89/570225589.db2.gz KBSRJCKRTGVLKD-UHFFFAOYSA-N 0 0 384.501 3.485 50 0 GGAARN CN(C)c1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)cc1 ZINC000019853413 570225795 /nfs/dbraw/zinc/22/57/95/570225795.db2.gz BAUYWVIZSUIWRC-UHFFFAOYSA-N 0 0 381.505 3.185 50 0 GGAARN CCCn1cc(-c2ccnc(N3CCN(Cc4csc(C)n4)CC3)n2)c(C)n1 ZINC000019852866 570225805 /nfs/dbraw/zinc/22/58/05/570225805.db2.gz MLPKFGNALWPNIN-UHFFFAOYSA-N 0 0 397.552 3.146 50 0 GGAARN O=C(Nc1cccc(F)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000019857284 570226049 /nfs/dbraw/zinc/22/60/49/570226049.db2.gz AXLKAUSBCBJGHB-MRXNPFEDSA-N 0 0 376.453 3.006 50 0 GGAARN Cc1ccccc1CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2F)C1 ZINC000019857943 570226122 /nfs/dbraw/zinc/22/61/22/570226122.db2.gz WYOWTKYHRBJUDG-INIZCTEOSA-N 0 0 390.480 3.315 50 0 GGAARN O=C(Nc1cccc(F)c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)cc2)C1 ZINC000019862776 570226628 /nfs/dbraw/zinc/22/66/28/570226628.db2.gz DNOFAPJKNZODDS-OAHLLOKOSA-N 0 0 394.443 3.145 50 0 GGAARN Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1 ZINC000019862356 570226678 /nfs/dbraw/zinc/22/66/78/570226678.db2.gz MRBPTDXIYLFEEB-KRWDZBQOSA-N 0 0 390.480 3.315 50 0 GGAARN O=C(c1cc(-c2ccccc2)on1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019871468 570226688 /nfs/dbraw/zinc/22/66/88/570226688.db2.gz HLDLWLPCKVOGPN-UHFFFAOYSA-N 0 0 391.427 3.028 50 0 GGAARN CN(C)C(=O)CCCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019878033 570227039 /nfs/dbraw/zinc/22/70/39/570227039.db2.gz AEYLYHGBGXDFNF-UHFFFAOYSA-N 0 0 393.531 3.179 50 0 GGAARN CC(=O)Nc1sc2c(c1[C@H](c1cccnc1)N1CCN(C)CC1)CCCC2 ZINC000019880767 570227084 /nfs/dbraw/zinc/22/70/84/570227084.db2.gz AWGSLCWINCQBHD-FQEVSTJZSA-N 0 0 384.549 3.317 50 0 GGAARN COC(=O)Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccc(C)cc1)CO3 ZINC000019882342 570227635 /nfs/dbraw/zinc/22/76/35/570227635.db2.gz NTLHZXKHLABUPV-UHFFFAOYSA-N 0 0 393.439 3.477 50 0 GGAARN O=C(Cc1c(F)cccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019899287 570228338 /nfs/dbraw/zinc/22/83/38/570228338.db2.gz OGJHSDNLKWOMMS-UHFFFAOYSA-N 0 0 390.842 3.095 50 0 GGAARN Cc1cccc(CSc2nnc(-c3cnn(-c4ccccc4)c3N)n2N)c1 ZINC000019897490 570228364 /nfs/dbraw/zinc/22/83/64/570228364.db2.gz WEYLOZQIFDKYHM-UHFFFAOYSA-N 0 0 377.477 3.028 50 0 GGAARN Cc1ccc(-c2cc(C(=O)N3CCN(CCc4ccncc4)CC3)no2)cc1 ZINC000096305430 570228564 /nfs/dbraw/zinc/22/85/64/570228564.db2.gz MYLQHXJTNYELBY-UHFFFAOYSA-N 0 0 376.460 3.046 50 0 GGAARN COc1cccc(OCC(=O)Nc2cccc(C(=O)Nc3nccs3)c2)c1 ZINC000000890304 570228618 /nfs/dbraw/zinc/22/86/18/570228618.db2.gz JOOQQWGWXFSODA-UHFFFAOYSA-N 0 0 383.429 3.422 50 0 GGAARN O=C(COc1ccc(F)cc1)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000019901864 570228685 /nfs/dbraw/zinc/22/86/85/570228685.db2.gz TUTAZBXSWIPTAS-LJQANCHMSA-N 0 0 392.858 3.048 50 0 GGAARN CCOC(=O)C1CCN(C(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC1 ZINC000000892530 570228789 /nfs/dbraw/zinc/22/87/89/570228789.db2.gz IIXVKCUKBFAZML-UHFFFAOYSA-N 0 0 393.480 3.298 50 0 GGAARN O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)c1ccccc1 ZINC000096319527 570228993 /nfs/dbraw/zinc/22/89/93/570228993.db2.gz XWVGCQQVQBZLHM-CALCHBBNSA-N 0 0 389.407 3.182 50 0 GGAARN Cc1c(C)c(C)c(S(=O)(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c(C)c1C ZINC000019924766 570229676 /nfs/dbraw/zinc/22/96/76/570229676.db2.gz CPPPBHLGDPMPDS-KBPBESRZSA-N 0 0 382.570 3.006 50 0 GGAARN Cc1cc(C)n(-c2ccc(NCCNC(=O)Nc3cc(C)cc(C)c3)nn2)n1 ZINC000019924179 570229731 /nfs/dbraw/zinc/22/97/31/570229731.db2.gz GQBCEEIIOJUJIF-UHFFFAOYSA-N 0 0 379.468 3.130 50 0 GGAARN O=Cc1ccc(OC(=O)C2CCC(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)cc1 ZINC000096610746 570231574 /nfs/dbraw/zinc/23/15/74/570231574.db2.gz DCPBSIKCTDODRN-JVPGXQPFSA-N 0 0 383.444 3.139 50 0 GGAARN COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c(OC)c1 ZINC000019933913 570231653 /nfs/dbraw/zinc/23/16/53/570231653.db2.gz XLYTXBDSZFRHDM-MRXNPFEDSA-N 0 0 399.443 3.243 50 0 biogenic GGAARN O=c1[nH]c(=S)n(Cc2ccccc2)c2c1CN(CCc1ccccc1)CN2 ZINC000019938891 570232371 /nfs/dbraw/zinc/23/23/71/570232371.db2.gz QVPPTCHIZYUGTD-UHFFFAOYSA-N 0 0 378.501 3.382 50 0 GGAARN CCCN1C(=O)[C@@](NC(=O)c2cccs2)(C(F)(F)F)N=C1c1ccccc1 ZINC000019939482 570232914 /nfs/dbraw/zinc/23/29/14/570232914.db2.gz KSZAKWUBZMBAOH-QGZVFWFLSA-N 0 0 395.406 3.436 50 0 GGAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(N)cc(N)n2)c2ccccc2)c1 ZINC000019957143 570233140 /nfs/dbraw/zinc/23/31/40/570233140.db2.gz GXSHXGKGFQEZME-SFHVURJKSA-N 0 0 393.472 3.316 50 0 GGAARN COCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000004816565 570233316 /nfs/dbraw/zinc/23/33/16/570233316.db2.gz BMQUVYQROMQGRU-UXHICEINSA-N 0 0 392.459 3.309 50 0 GGAARN CCc1nn2c(ncc3c(=O)n(-c4nc[nH]n4)ccc32)c1-c1cccc(Cl)c1 ZINC000019962606 570233731 /nfs/dbraw/zinc/23/37/31/570233731.db2.gz XSBIDBNWDHKCHH-UHFFFAOYSA-N 0 0 391.822 3.034 50 0 GGAARN Cc1cccc(N2C(=O)C[C@H](N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)c1 ZINC000020025985 570235437 /nfs/dbraw/zinc/23/54/37/570235437.db2.gz GWMVWYCSNCNPMB-FQEVSTJZSA-N 0 0 397.906 3.098 50 0 GGAARN COCCNC(=O)c1ccc(NC(=O)NCCc2sccc2C)c(C)c1 ZINC000097088178 570236381 /nfs/dbraw/zinc/23/63/81/570236381.db2.gz KMGCVVLKZFTBBP-UHFFFAOYSA-N 0 0 375.494 3.105 50 0 GGAARN COCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@@H]1c1ccccc1 ZINC000004816902 570236455 /nfs/dbraw/zinc/23/64/55/570236455.db2.gz IWJJIPBZGVAUJM-QZTJIDSGSA-N 0 0 378.432 3.001 50 0 GGAARN CC(=O)c1cc(CC(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)cs1 ZINC000097099430 570236567 /nfs/dbraw/zinc/23/65/67/570236567.db2.gz JPYDQVAPOZERMG-KRWDZBQOSA-N 0 0 386.473 3.021 50 0 GGAARN C[C@@H](NC(=O)c1nccnc1C(=O)N1CCCCC1)c1ccc2[nH]ccc2c1 ZINC000097117147 570237063 /nfs/dbraw/zinc/23/70/63/570237063.db2.gz PQJJYTRAZMKMGT-CQSZACIVSA-N 0 0 377.448 3.075 50 0 GGAARN CCCN(Cc1nnc(-c2ccccc2)o1)CN1C(=O)c2ccccc2C1=O ZINC000020045271 570237373 /nfs/dbraw/zinc/23/73/73/570237373.db2.gz LRFZVGXSHOWAGT-UHFFFAOYSA-N 0 0 376.416 3.202 50 0 GGAARN FC(F)(F)c1nnc(N2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)s1 ZINC000097137694 570237401 /nfs/dbraw/zinc/23/74/01/570237401.db2.gz ZBTCPJXRQDHCKU-UHFFFAOYSA-N 0 0 394.426 3.269 50 0 GGAARN Cc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)N1CCCCCC1)S2 ZINC000020060429 570238180 /nfs/dbraw/zinc/23/81/80/570238180.db2.gz HULVCQBMBCYTOK-HOTGVXAUSA-N 0 0 391.928 3.402 50 0 GGAARN O=c1c2cnc3nc(-c4ccc(Cl)cc4)nn3c2ccn1Cc1cccnc1 ZINC000020102145 570239148 /nfs/dbraw/zinc/23/91/48/570239148.db2.gz YQDNHZPYVZVSFD-UHFFFAOYSA-N 0 0 388.818 3.203 50 0 GGAARN COCCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)n2c3ccccc3nc21 ZINC000020103397 570239533 /nfs/dbraw/zinc/23/95/33/570239533.db2.gz WOIIUUUGYQERCS-KRWDZBQOSA-N 0 0 398.850 3.253 50 0 GGAARN COc1ccccc1[C@H]1CCCN1C(=O)Nc1cccc(-c2nnn(C)n2)c1 ZINC000097243827 570239726 /nfs/dbraw/zinc/23/97/26/570239726.db2.gz FFYQQOAKOZKFHS-QGZVFWFLSA-N 0 0 378.436 3.255 50 0 GGAARN Cc1ncsc1CN(Cc1ccccc1)C(=O)C[C@H]1C[N@H+](C(C)C)CCO1 ZINC000097288718 570240408 /nfs/dbraw/zinc/24/04/08/570240408.db2.gz AHLNMJSLKNXJCC-IBGZPJMESA-N 0 0 387.549 3.480 50 0 GGAARN Cc1ncsc1CN(Cc1ccccc1)C(=O)C[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000097288717 570240493 /nfs/dbraw/zinc/24/04/93/570240493.db2.gz AHLNMJSLKNXJCC-LJQANCHMSA-N 0 0 387.549 3.480 50 0 GGAARN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](C(=O)c2cc(F)ccc2F)C1 ZINC000020118943 570241538 /nfs/dbraw/zinc/24/15/38/570241538.db2.gz OYLRXOSCSVNHPI-CQSZACIVSA-N 0 0 375.419 3.359 50 0 GGAARN O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(Cc2ccccc2)CC1 ZINC000020137559 570242035 /nfs/dbraw/zinc/24/20/35/570242035.db2.gz MVKQVFWIDXXGJT-UHFFFAOYSA-N 0 0 391.427 3.028 50 0 GGAARN CCc1nc2cc(NC(=O)N3CCc4sc(C(=O)NC)cc4C3)ccc2[nH]1 ZINC000097447082 570243839 /nfs/dbraw/zinc/24/38/39/570243839.db2.gz MOFVIPOHQYUMJT-UHFFFAOYSA-N 0 0 383.477 3.137 50 0 GGAARN O=C(NC1CCN(Cc2cc(F)cc(F)c2)CC1)c1cc(C(F)(F)F)n[nH]1 ZINC000097437032 570243911 /nfs/dbraw/zinc/24/39/11/570243911.db2.gz HGBSKSGZNIWUCO-UHFFFAOYSA-N 0 0 388.340 3.101 50 0 GGAARN COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccco2)c2cccs2)cc1 ZINC000015780921 570244007 /nfs/dbraw/zinc/24/40/07/570244007.db2.gz BOXCWWZBQWWXBH-QGZVFWFLSA-N 0 0 391.470 3.295 50 0 GGAARN COc1ccc2[nH]c(C)c(C(=O)CN3CCN(Cc4ccccc4)CC3)c2c1 ZINC000020149964 570244167 /nfs/dbraw/zinc/24/41/67/570244167.db2.gz SCUINYOXSQSCIN-UHFFFAOYSA-N 0 0 377.488 3.485 50 0 GGAARN CCN(Cc1noc(CC(C)C)n1)C(=O)c1c(Cl)c(C(F)(F)F)nn1C ZINC000097499436 570244868 /nfs/dbraw/zinc/24/48/68/570244868.db2.gz ZEPKKORUCKMQSJ-UHFFFAOYSA-N 0 0 393.797 3.336 50 0 GGAARN CCNC(=O)c1ccc(C)c(NC(=O)N(CC)C[C@@H](O)c2cccc(O)c2)c1 ZINC000097522589 570245298 /nfs/dbraw/zinc/24/52/98/570245298.db2.gz AMUGRHWLGIWHAW-LJQANCHMSA-N 0 0 385.464 3.038 50 0 GGAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccco3)cc2)cc1 ZINC000001130830 570245524 /nfs/dbraw/zinc/24/55/24/570245524.db2.gz CEMLCPNHOAWKLB-UHFFFAOYSA-N 0 0 384.457 3.343 50 0 GGAARN COc1ccc(Cc2nnc(NC(=O)c3ccc4c(c3)OCO4)s2)cc1OC ZINC000001131433 570245590 /nfs/dbraw/zinc/24/55/90/570245590.db2.gz ZSJQJELXDVVUOI-UHFFFAOYSA-N 0 0 399.428 3.127 50 0 GGAARN COc1cc(CC(=O)NC[C@H]2CCOc3ccccc3C2)cc(OC)c1OC ZINC000097532350 570245629 /nfs/dbraw/zinc/24/56/29/570245629.db2.gz YDNVZGGKYNIGPE-HNNXBMFYSA-N 0 0 385.460 3.013 50 0 GGAARN Cc1ccc(N(C(=O)c2cc3ccccc3oc2=O)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000001131699 570245944 /nfs/dbraw/zinc/24/59/44/570245944.db2.gz GYGDRMBZKXPQPS-KRWDZBQOSA-N 0 0 395.436 3.059 50 0 GGAARN O=C(c1ccc(Cn2cnnn2)cc1)N1CCCC[C@@H]1CCc1cccs1 ZINC000097547640 570246111 /nfs/dbraw/zinc/24/61/11/570246111.db2.gz WMEDBHYHQRTGLE-GOSISDBHSA-N 0 0 381.505 3.410 50 0 GGAARN CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000020176948 570246186 /nfs/dbraw/zinc/24/61/86/570246186.db2.gz GVMHQVDWYABZGR-UHFFFAOYSA-N 0 0 394.924 3.245 50 0 GGAARN CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000001132513 570246339 /nfs/dbraw/zinc/24/63/39/570246339.db2.gz SIHKDEQPUUKARR-UHFFFAOYSA-N 0 0 390.505 3.270 50 0 GGAARN CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)NCCCN2CCNC(=O)C2)c1 ZINC000097572199 570246714 /nfs/dbraw/zinc/24/67/14/570246714.db2.gz XRQPNRYZNNZELE-UHFFFAOYSA-N 0 0 388.556 3.225 50 0 GGAARN O=C(NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCOc2ccccc2C1 ZINC000097574992 570247029 /nfs/dbraw/zinc/24/70/29/570247029.db2.gz DGMUBWKQQINLNY-HXUWFJFHSA-N 0 0 378.472 3.180 50 0 GGAARN COc1ccc(CCN(C)Cc2nc(Cc3cccc(F)c3)no2)cc1OC ZINC000020204982 570247548 /nfs/dbraw/zinc/24/75/48/570247548.db2.gz BFBGADGWCQPCQR-UHFFFAOYSA-N 0 0 385.439 3.491 50 0 GGAARN CN1C(=O)[C@@H](CC(=O)N(CCC2=CCCCC2)Cc2ccccc2)N(C)C1=O ZINC000097637922 570247948 /nfs/dbraw/zinc/24/79/48/570247948.db2.gz HKYJDRNNIMIBSA-LJQANCHMSA-N 0 0 383.492 3.188 50 0 GGAARN CN(Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)[C@@H]1CCOC1 ZINC000020205744 570248190 /nfs/dbraw/zinc/24/81/90/570248190.db2.gz 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CC(=O)c1ccc(NC(=O)CSc2cc(-n3nc(C)cc3C)ncn2)cc1 ZINC000049404118 570264892 /nfs/dbraw/zinc/26/48/92/570264892.db2.gz XXVSGJGUBAQZFU-UHFFFAOYSA-N 0 0 381.461 3.213 50 0 GGAARN CCc1noc(-c2ccc(SCC(=O)Nc3ccc(NC(C)=O)cc3)nc2)n1 ZINC000049405521 570264925 /nfs/dbraw/zinc/26/49/25/570264925.db2.gz QUEADVXTEDYWJL-UHFFFAOYSA-N 0 0 397.460 3.383 50 0 GGAARN Cc1cccc(N2CCN(C(=O)c3ccc(CN4CCOCC4)cc3)CC2)c1C ZINC000020513112 570265083 /nfs/dbraw/zinc/26/50/83/570265083.db2.gz BECDUZQHEJYPQM-UHFFFAOYSA-N 0 0 393.531 3.098 50 0 GGAARN Cc1ccc(C(=O)Nc2ccc3c(c2)nc(CCN2CCOCC2)n3C)cc1 ZINC000020517429 570265101 /nfs/dbraw/zinc/26/51/01/570265101.db2.gz LYXKGNJCFZICGF-UHFFFAOYSA-N 0 0 378.476 3.009 50 0 GGAARN O=C(CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(Cl)cc1 ZINC000100047618 570265400 /nfs/dbraw/zinc/26/54/00/570265400.db2.gz SXYPPNHLCNFKRV-HNNXBMFYSA-N 0 0 392.839 3.483 50 0 GGAARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3nncn3c2)cc1 ZINC000049408292 570265484 /nfs/dbraw/zinc/26/54/84/570265484.db2.gz GXZSKLJOIVRAQJ-UHFFFAOYSA-N 0 0 394.456 3.133 50 0 GGAARN O=C(Cn1c(=O)cc(C(=O)N2CCCC2)c2ccccc21)Nc1cccc(F)c1 ZINC000020533829 570265849 /nfs/dbraw/zinc/26/58/49/570265849.db2.gz XAWPJPYXLJFNFK-UHFFFAOYSA-N 0 0 393.418 3.015 50 0 GGAARN Cc1cc(NC(=O)c2nc(-c3cn(-c4ccc(F)cc4)nn3)no2)ccc1F ZINC000049410299 570266075 /nfs/dbraw/zinc/26/60/75/570266075.db2.gz JYCRJBSIIKDPLI-UHFFFAOYSA-N 0 0 382.330 3.156 50 0 GGAARN CCOc1ccc(NC(=O)c2nc(-c3cn(-c4ccc(F)cc4)nn3)no2)cc1 ZINC000049410287 570266084 /nfs/dbraw/zinc/26/60/84/570266084.db2.gz IOJQNZLSNWHXLX-UHFFFAOYSA-N 0 0 394.366 3.107 50 0 GGAARN OCC[C@@H]1CN(Cc2cccn2-c2nccs2)CCN1Cc1ccsc1 ZINC000020537205 570266105 /nfs/dbraw/zinc/26/61/05/570266105.db2.gz JJWSBSDXZOSLFR-QGZVFWFLSA-N 0 0 388.562 3.064 50 0 GGAARN O=C(Nc1ccc(Cl)cc1)c1nc(-c2cn(-c3ccc(F)cc3)nn2)no1 ZINC000049410295 570266111 /nfs/dbraw/zinc/26/61/11/570266111.db2.gz DELAVXVHTUNOGQ-UHFFFAOYSA-N 0 0 384.758 3.362 50 0 GGAARN Cc1cc2cccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2o1 ZINC000020540261 570266735 /nfs/dbraw/zinc/26/67/35/570266735.db2.gz FXJABEDBQLOBRO-UHFFFAOYSA-N 0 0 378.428 3.428 50 0 GGAARN OCC[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CCN1Cc1ccsc1 ZINC000020541790 570267009 /nfs/dbraw/zinc/26/70/09/570267009.db2.gz OYYPVWCUDOOLMK-OAQYLSRUSA-N 0 0 382.533 3.003 50 0 GGAARN CCNC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[nH]2)C1 ZINC000049421106 570267251 /nfs/dbraw/zinc/26/72/51/570267251.db2.gz RWCSKXCCBJFMSE-CQSZACIVSA-N 0 0 382.489 3.004 50 0 GGAARN C[C@H](NS(=O)(=O)c1ccc2sc(=O)[nH]c2c1)C12CC3CC(CC(C3)C1)C2 ZINC000020550558 570267557 /nfs/dbraw/zinc/26/75/57/570267557.db2.gz ZFMVVQTUXXIOAR-NZWMYCLXSA-N 0 0 392.546 3.473 50 0 GGAARN COc1cc(/C=C/C(=O)Nc2nnc(-c3ccsc3)o2)cc(OC)c1OC ZINC000049448908 570267621 /nfs/dbraw/zinc/26/76/21/570267621.db2.gz GDKZZXOELGXBDD-SNAWJCMRSA-N 0 0 387.417 3.476 50 0 GGAARN CCOC(=O)C1=C(CN(CC)Cc2ccccc2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559146 570267771 /nfs/dbraw/zinc/26/77/71/570267771.db2.gz MBTWZGQYVNOYSW-LJQANCHMSA-N 0 0 399.516 3.441 50 0 GGAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CC(c2nc(-c3cnccn3)no2)C1 ZINC000049485990 570268067 /nfs/dbraw/zinc/26/80/67/570268067.db2.gz OYVXYSWCEDAWEE-UHFFFAOYSA-N 0 0 391.218 3.465 50 0 GGAARN FC(F)(F)Oc1ccccc1CN1CC(c2nc(-c3cnccn3)no2)C1 ZINC000049485550 570268241 /nfs/dbraw/zinc/26/82/41/570268241.db2.gz RVKKFWPJBDIORZ-UHFFFAOYSA-N 0 0 377.326 3.025 50 0 GGAARN CCCCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 ZINC000020567831 570268277 /nfs/dbraw/zinc/26/82/77/570268277.db2.gz WNROQROEPVDJTQ-UHFFFAOYSA-N 0 0 389.521 3.281 50 0 GGAARN COC(=O)CCNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000049543704 570268367 /nfs/dbraw/zinc/26/83/67/570268367.db2.gz XMRNTMYTTBVTSL-UHFFFAOYSA-N 0 0 385.416 3.076 50 0 biogenic GGAARN COC(=O)[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(C)C ZINC000049543669 570268458 /nfs/dbraw/zinc/26/84/58/570268458.db2.gz KVGKLHUQHTVYAS-SFHVURJKSA-N 0 0 399.443 3.321 50 0 biogenic GGAARN COCCCNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000020568058 570268579 /nfs/dbraw/zinc/26/85/79/570268579.db2.gz PHSKLVXVGNMSRB-JOCHJYFZSA-N 0 0 398.528 3.270 50 0 GGAARN Cc1c(C)n(CCc2ccccc2)c2ncnc(NCCN3CCOCC3)c12 ZINC000020590036 570269167 /nfs/dbraw/zinc/26/91/67/570269167.db2.gz NPTADRNHYXMGMZ-UHFFFAOYSA-N 0 0 379.508 3.035 50 0 GGAARN CC(C)Cn1c(CN2CC[C@@H](c3ccc(F)cc3)C2)cnc1S(C)(=O)=O ZINC000020599421 570269560 /nfs/dbraw/zinc/26/95/60/570269560.db2.gz WVIFRNKACSGFLY-MRXNPFEDSA-N 0 0 379.501 3.071 50 0 GGAARN COC(=O)C1CCN(Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)CC1 ZINC000020600038 570269635 /nfs/dbraw/zinc/26/96/35/570269635.db2.gz GNRGGRHYJYWMHN-UHFFFAOYSA-N 0 0 392.839 3.417 50 0 GGAARN CCOc1ccccc1CN1CCN(Cc2ccc(F)cc2F)C[C@@H]1CCO ZINC000020600925 570269945 /nfs/dbraw/zinc/26/99/45/570269945.db2.gz NHLNOGOVLPOKSV-FQEVSTJZSA-N 0 0 390.474 3.432 50 0 GGAARN CNC(=O)c1ccc(CNC(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000584903155 570270343 /nfs/dbraw/zinc/27/03/43/570270343.db2.gz AUCIPDXMHXVIHE-AWEZNQCLSA-N 0 0 375.856 3.382 50 0 GGAARN COc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1N1CCCC1=O ZINC000049505499 570270348 /nfs/dbraw/zinc/27/03/48/570270348.db2.gz DYGGSDSJRXMZPI-UHFFFAOYSA-N 0 0 390.443 3.319 50 0 GGAARN Cc1nn(C)cc1NC(=O)Cn1nc(C)c2c1nc(C1CC1)cc2C(F)(F)F ZINC000020602441 570270372 /nfs/dbraw/zinc/27/03/72/570270372.db2.gz ISKIEALBLPNCMZ-UHFFFAOYSA-N 0 0 392.385 3.317 50 0 GGAARN Cc1nn(CC(=O)Nc2cnn(C)c2)c2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000020602436 570270390 /nfs/dbraw/zinc/27/03/90/570270390.db2.gz AONYIAWTWPZRGE-UHFFFAOYSA-N 0 0 378.358 3.008 50 0 GGAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(C)CC4)c3n2)cc1 ZINC000020601956 570270470 /nfs/dbraw/zinc/27/04/70/570270470.db2.gz MWOVZVSLMMYSHP-UHFFFAOYSA-N 0 0 385.418 3.030 50 0 GGAARN COc1ccc(N2C(=O)C[C@@H](SCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000100277531 570270510 /nfs/dbraw/zinc/27/05/10/570270510.db2.gz XHXRRMJXOYBMIT-GOSISDBHSA-N 0 0 398.484 3.316 50 0 GGAARN COc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1 ZINC000100276648 570270546 /nfs/dbraw/zinc/27/05/46/570270546.db2.gz RKRZWSTZAVCSKY-RTBURBONSA-N 0 0 376.412 3.403 50 0 GGAARN COc1ccc(-c2oc3ncn(CCO)c(=N)c3c2-c2ccc(OC)cc2)cc1 ZINC000100306422 570270721 /nfs/dbraw/zinc/27/07/21/570270721.db2.gz HHBPWVJYNANBOX-UHFFFAOYSA-N 0 0 391.427 3.452 50 0 GGAARN CC(C)(C)NC(=O)N1CCC(CNC(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000049522716 570270786 /nfs/dbraw/zinc/27/07/86/570270786.db2.gz KNJAHNJIOCJJPB-UHFFFAOYSA-N 0 0 375.488 3.194 50 0 GGAARN COC(=O)[C@](O)(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(F)(F)F ZINC000002761219 570270790 /nfs/dbraw/zinc/27/07/90/570270790.db2.gz WWMUZIHLIBMQJO-QGZVFWFLSA-N 0 0 383.322 3.274 50 0 GGAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1cnn(C)c1)cc2C(F)(F)F ZINC000020604551 570270968 /nfs/dbraw/zinc/27/09/68/570270968.db2.gz HVFFAKMNDPJSNY-UHFFFAOYSA-N 0 0 393.369 3.291 50 0 GGAARN Cc1ccn(C[C@@H](C)CNC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n1 ZINC000020607016 570271263 /nfs/dbraw/zinc/27/12/63/570271263.db2.gz XBPHJLYZGCZKRW-VIFPVBQESA-N 0 0 385.415 3.225 50 0 GGAARN COC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c3c(nn21)nc(C)cc3C ZINC000020605819 570271317 /nfs/dbraw/zinc/27/13/17/570271317.db2.gz YCCPDSHQFYLYNO-UHFFFAOYSA-N 0 0 376.372 3.077 50 0 GGAARN Cn1cc(CCCNC(=O)c2ccc(-c3cncc(C(C)(C)O)c3)cc2)cn1 ZINC000584901930 570271429 /nfs/dbraw/zinc/27/14/29/570271429.db2.gz XVQSROCZXKKFNS-UHFFFAOYSA-N 0 0 378.476 3.072 50 0 GGAARN CC[C@@H](C(=O)N[C@H](C)Cn1ccc(C)n1)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607666 570271526 /nfs/dbraw/zinc/27/15/26/570271526.db2.gz WDEXBTLUNVBJMB-OCCSQVGLSA-N 0 0 383.418 3.052 50 0 GGAARN CC[C@H](C(=O)Nc1c(C)nn(COC)c1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607615 570271583 /nfs/dbraw/zinc/27/15/83/570271583.db2.gz LZUHBLAHNSKTFM-CYBMUJFWSA-N 0 0 399.417 3.398 50 0 GGAARN CCN(CC)C(=O)c1cc(=O)n(CC(=O)Nc2cccc(C)c2)c2ccccc12 ZINC000020608589 570271635 /nfs/dbraw/zinc/27/16/35/570271635.db2.gz UBVXNNHNTHADKC-UHFFFAOYSA-N 0 0 391.471 3.431 50 0 GGAARN Cc1cc(C)n(CCN(C)C(=O)NCCOc2cccc3ccc(C)nc32)n1 ZINC000584902386 570271716 /nfs/dbraw/zinc/27/17/16/570271716.db2.gz QWHLEVUTXJXPKC-UHFFFAOYSA-N 0 0 381.480 3.077 50 0 GGAARN O=C(CN1CCSCC1)N1N=C(c2cccs2)C[C@@H]1c1ccc(O)cc1 ZINC000045067868 570271732 /nfs/dbraw/zinc/27/17/32/570271732.db2.gz GHQRJSQQPJJJHN-QGZVFWFLSA-N 0 0 387.530 3.180 50 0 GGAARN CN(Cc1[nH]nc2c1CCCC2)C(=O)NCc1cc(-c2cccc(F)c2)no1 ZINC000584902693 570272153 /nfs/dbraw/zinc/27/21/53/570272153.db2.gz BCXZGIHNMIPWAF-UHFFFAOYSA-N 0 0 383.427 3.424 50 0 GGAARN Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1nc(-c2ccc(F)cc2)no1 ZINC000020618004 570272869 /nfs/dbraw/zinc/27/28/69/570272869.db2.gz MVMLVCJPLZZASA-UHFFFAOYSA-N 0 0 397.332 3.220 50 0 GGAARN Cc1ccnn1C[C@@H](C)CNC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1 ZINC000020617225 570272957 /nfs/dbraw/zinc/27/29/57/570272957.db2.gz NSKIZVIPVYBHPI-VIFPVBQESA-N 0 0 385.415 3.225 50 0 GGAARN CCOC(=O)C(C=Nc1ccc(NC2=NC[C@H](C)S2)cc1)C(=O)OCC ZINC000100582276 570273545 /nfs/dbraw/zinc/27/35/45/570273545.db2.gz IBDZMXGKNQLYAW-LBPRGKRZSA-N 0 0 377.466 3.012 50 0 GGAARN COc1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)cc1 ZINC000100619320 570273618 /nfs/dbraw/zinc/27/36/18/570273618.db2.gz HAHYNVPFDHIPGT-CAKACJFASA-N 0 0 384.476 3.368 50 0 GGAARN Cc1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccccc4)CC3)C2=O)cc1Cl ZINC000100631723 570273875 /nfs/dbraw/zinc/27/38/75/570273875.db2.gz LTWJPGQCYKEKBP-HXUWFJFHSA-N 0 0 397.906 3.098 50 0 GGAARN COc1ccc(CCN2C(=O)[C@H](Cc3ccc(C)cc3)[C@H](C)C2=O)cc1OC ZINC000100638090 570273890 /nfs/dbraw/zinc/27/38/90/570273890.db2.gz YYYCNIXKQBSFDE-QFBILLFUSA-N 0 0 381.472 3.419 50 0 biogenic GGAARN CCN1CCN(C(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)CC1 ZINC000020647904 570274019 /nfs/dbraw/zinc/27/40/19/570274019.db2.gz VSGIAXZWQVULKQ-UHFFFAOYSA-N 0 0 382.460 3.253 50 0 GGAARN CO[C@@H]1O[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2[C@H](O)[C@H]1NC(=O)c1ccccc1 ZINC000257347176 570274217 /nfs/dbraw/zinc/27/42/17/570274217.db2.gz WZHWHDBBEFVFOU-XKXJBTNPSA-N 0 0 381.472 3.101 50 0 GGAARN COc1cccc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)c1OC ZINC000002087903 570274258 /nfs/dbraw/zinc/27/42/58/570274258.db2.gz MJHIDQKAQZHUMN-NTEUORMPSA-N 0 0 399.399 3.074 50 0 GGAARN Cc1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(=O)n(-c2ccccc2)n1C ZINC000002096194 570274583 /nfs/dbraw/zinc/27/45/83/570274583.db2.gz HYAIWLURNPKPMF-UHFFFAOYSA-N 0 0 397.303 3.432 50 0 GGAARN COc1cc2ncnc(N3CC[C@H](N(C)C(=O)OC(C)(C)C)C3)c2cc1OC ZINC000526056026 570274859 /nfs/dbraw/zinc/27/48/59/570274859.db2.gz CTRQERSYTNOHHP-ZDUSSCGKSA-N 0 0 388.468 3.093 50 0 GGAARN COc1ccccc1N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(F)ccc32)CC1 ZINC000020714360 570275452 /nfs/dbraw/zinc/27/54/52/570275452.db2.gz WOQWCAFNCNKGOQ-HXUWFJFHSA-N 0 0 383.423 3.264 50 0 GGAARN Cc1noc(C)c1CN1CC[NH+]([C@H](C(=O)[O-])c2c(C)[nH]c3ccccc32)CC1 ZINC000020716898 570275706 /nfs/dbraw/zinc/27/57/06/570275706.db2.gz GRFJJXCNNMXSCB-FQEVSTJZSA-N 0 0 382.464 3.025 50 0 GGAARN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(=O)Nc2c(-c3ccccc3)cnn21 ZINC000020717026 570275719 /nfs/dbraw/zinc/27/57/19/570275719.db2.gz MRFJHLATBXWUHQ-HNNXBMFYSA-N 0 0 376.372 3.450 50 0 GGAARN COc1cccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncccn2)c1OC ZINC000020718441 570275731 /nfs/dbraw/zinc/27/57/31/570275731.db2.gz NMWGRDIJAKLAQO-QGZVFWFLSA-N 0 0 397.460 3.412 50 0 GGAARN Cc1nc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)sc1C ZINC000020718496 570275776 /nfs/dbraw/zinc/27/57/76/570275776.db2.gz QAHRBXURGGXEPV-KRWDZBQOSA-N 0 0 380.473 3.135 50 0 GGAARN CCCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)n2c3ccccc3nc21 ZINC000020722761 570276412 /nfs/dbraw/zinc/27/64/12/570276412.db2.gz ULEJUFIMHDFIRZ-LJQANCHMSA-N 0 0 376.460 3.431 50 0 GGAARN COc1cccc(N2C[C@@H](NC(=O)c3cccc(C(F)(F)F)c3)CC2=O)c1 ZINC000005194905 570276752 /nfs/dbraw/zinc/27/67/52/570276752.db2.gz BNLNTNRSMKOZLO-AWEZNQCLSA-N 0 0 378.350 3.249 50 0 GGAARN COc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(c4ccccc4OC)CC3)c2c1 ZINC000020723440 570276824 /nfs/dbraw/zinc/27/68/24/570276824.db2.gz VVWJUGIOSRQPSM-NRFANRHFSA-N 0 0 395.459 3.133 50 0 GGAARN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ncccn2)cc(OC)c1OC ZINC000020728165 570277001 /nfs/dbraw/zinc/27/70/01/570277001.db2.gz KBJXIDWFMJVHRK-CYBMUJFWSA-N 0 0 395.419 3.120 50 0 GGAARN COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccccc2Cl)C(=O)N3)cc1 ZINC000020726869 570277011 /nfs/dbraw/zinc/27/70/11/570277011.db2.gz UXAVLEJHWSJXJD-OAHLLOKOSA-N 0 0 397.822 3.129 50 0 GGAARN COc1cc(-c2noc(-c3cn(C)c4ccccc4c3=O)n2)cc(OC)c1OC ZINC000020725878 570277068 /nfs/dbraw/zinc/27/70/68/570277068.db2.gz KHIDPIBSJSYCGJ-UHFFFAOYSA-N 0 0 393.399 3.281 50 0 GGAARN CCCCNC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccccc1 ZINC000002179222 570277176 /nfs/dbraw/zinc/27/71/76/570277176.db2.gz ARTFXMSBSQZCAK-UHFFFAOYSA-N 0 0 390.505 3.197 50 0 GGAARN O=C1N(Cc2cccc(Cl)c2)c2ccccc2[C@]12CC(=O)Nc1n[nH]cc12 ZINC000020728305 570277281 /nfs/dbraw/zinc/27/72/81/570277281.db2.gz NKZDHINZWLPHBM-FQEVSTJZSA-N 0 0 378.819 3.238 50 0 GGAARN CCCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000002181744 570277487 /nfs/dbraw/zinc/27/74/87/570277487.db2.gz AFSNYMHRPRSUAR-GOSISDBHSA-N 0 0 382.416 3.006 50 0 GGAARN COc1ccc(-c2nc3n(n2)[C@H](CC(=O)Nc2ccc(C)cc2C)C(=O)N3)cc1 ZINC000020738090 570278126 /nfs/dbraw/zinc/27/81/26/570278126.db2.gz FTCXMTMBSFDLDK-QGZVFWFLSA-N 0 0 391.431 3.093 50 0 GGAARN COc1cccc(C(=O)COc2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)c1 ZINC000100838901 570278381 /nfs/dbraw/zinc/27/83/81/570278381.db2.gz NIMLPNFVCGQSMD-BGYRXZFFSA-N 0 0 391.423 3.413 50 0 GGAARN Cc1nc(NC(=O)C2CCN(c3ccc4nnc(C(C)C)n4n3)CC2)sc1C ZINC000020738532 570278479 /nfs/dbraw/zinc/27/84/79/570278479.db2.gz PJJGWXNKPKYGNO-UHFFFAOYSA-N 0 0 399.524 3.176 50 0 GGAARN Cc1c(C)c(=O)oc2cc(OC[C@@H](O)CNc3ccc4c(c3)OCCO4)ccc12 ZINC000020739908 570278505 /nfs/dbraw/zinc/27/85/05/570278505.db2.gz YITYIGDXJSDWBE-INIZCTEOSA-N 0 0 397.427 3.033 50 0 GGAARN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000020744557 570278712 /nfs/dbraw/zinc/27/87/12/570278712.db2.gz XXTKRXOSKXBHLE-LLVKDONJSA-N 0 0 381.346 3.249 50 0 GGAARN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000020744338 570278726 /nfs/dbraw/zinc/27/87/26/570278726.db2.gz DWYSRWJNRKPNJP-AWEZNQCLSA-N 0 0 386.835 3.098 50 0 GGAARN COc1cccc2c([C@@H](C(=O)[O-])[NH+]3CCN(c4ccccc4OC)CC3)c[nH]c21 ZINC000020744628 570278804 /nfs/dbraw/zinc/27/88/04/570278804.db2.gz YKXMXQUKLONXTO-NRFANRHFSA-N 0 0 395.459 3.133 50 0 GGAARN COc1ccc(-c2nnc3c4cnn(-c5ccc(C)cc5C)c4ncn32)c(O)c1 ZINC000002204593 570278808 /nfs/dbraw/zinc/27/88/08/570278808.db2.gz SUYZLDOIBUEPQC-UHFFFAOYSA-N 0 0 386.415 3.461 50 0 GGAARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2ccc(F)cc21 ZINC000020745135 570278998 /nfs/dbraw/zinc/27/89/98/570278998.db2.gz NVHFWUIWXMEGHI-IBGZPJMESA-N 0 0 393.418 3.162 50 0 GGAARN Cc1ccc(-c2nc3n(n2)[C@@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N3)cc1 ZINC000020744948 570279001 /nfs/dbraw/zinc/27/90/01/570279001.db2.gz PWKFTRBENJDOFZ-HNNXBMFYSA-N 0 0 381.823 3.429 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cc1 ZINC000020744827 570279097 /nfs/dbraw/zinc/27/90/97/570279097.db2.gz ISCDLJNIDGUGFG-AZUAARDMSA-N 0 0 380.444 3.412 50 0 GGAARN CCOC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1 ZINC000020744829 570279111 /nfs/dbraw/zinc/27/91/11/570279111.db2.gz ISCDLJNIDGUGFG-ICSRJNTNSA-N 0 0 380.444 3.412 50 0 GGAARN COc1ccccc1NC(=O)C1CCN(c2ccc3nnc(C(C)C)n3n2)CC1 ZINC000020745025 570279121 /nfs/dbraw/zinc/27/91/21/570279121.db2.gz GFUKHNSKXOCLFN-UHFFFAOYSA-N 0 0 394.479 3.111 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccccc3)nn21 ZINC000020745892 570279191 /nfs/dbraw/zinc/27/91/91/570279191.db2.gz WFGHGKGMPPJNIR-CQSZACIVSA-N 0 0 397.822 3.129 50 0 GGAARN O=C(C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1cccc(F)c1 ZINC000020745732 570279279 /nfs/dbraw/zinc/27/92/79/570279279.db2.gz ZXUTZGSRJWVCEP-AWEZNQCLSA-N 0 0 385.786 3.260 50 0 GGAARN CC(=O)Nc1ccc(N2CCn3c(nc4cc(C(=O)NC(C)C)ccc43)C2)cc1 ZINC000020745744 570279334 /nfs/dbraw/zinc/27/93/34/570279334.db2.gz IRCQWMCPHMDBCP-UHFFFAOYSA-N 0 0 391.475 3.153 50 0 GGAARN CSCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1nnc2ccccn21 ZINC000020745705 570279368 /nfs/dbraw/zinc/27/93/68/570279368.db2.gz JTQLJKAYXRVMCS-KRWDZBQOSA-N 0 0 379.489 3.364 50 0 GGAARN Cc1c(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)ccc2c3c(c(=O)oc12)CCC3 ZINC000006167243 570279511 /nfs/dbraw/zinc/27/95/11/570279511.db2.gz FXRUKGVQHKHLLM-GFCCVEGCSA-N 0 0 387.432 3.409 50 0 GGAARN COc1ccc(-c2noc(CCCC(=O)NCCc3ccccc3)n2)cc1OC ZINC000002226426 570279830 /nfs/dbraw/zinc/27/98/30/570279830.db2.gz YSQBHMPQCSQMJH-UHFFFAOYSA-N 0 0 395.459 3.435 50 0 biogenic GGAARN COc1ccc(CN2CCN(c3nc4ccccc4o3)CC2)c(OC)c1OC ZINC000020781893 570280390 /nfs/dbraw/zinc/28/03/90/570280390.db2.gz LUJULFDWWZUPKL-UHFFFAOYSA-N 0 0 383.448 3.176 50 0 GGAARN CCOC(=O)[C@@](NC(=O)c1ccccc1)(OCc1ccccc1)C(F)(F)F ZINC000002257473 570280424 /nfs/dbraw/zinc/28/04/24/570280424.db2.gz SJABEXFYQCLCEF-GOSISDBHSA-N 0 0 381.350 3.455 50 0 GGAARN CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1/C=C/c1ccccc1OC ZINC000002246654 570280444 /nfs/dbraw/zinc/28/04/44/570280444.db2.gz IMIQHVYDLXKQEK-VLMQMFMZSA-N 0 0 386.473 3.248 50 0 aggregator GGAARN COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)n(C)n2)cc1 ZINC000035276901 570280564 /nfs/dbraw/zinc/28/05/64/570280564.db2.gz KSSKBWVPGDSRFX-UHFFFAOYSA-N 0 0 390.487 3.054 50 0 GGAARN CCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000002278990 570281047 /nfs/dbraw/zinc/28/10/47/570281047.db2.gz AELWGRQUSCQUEW-NHYWBVRUSA-N 0 0 396.369 3.412 50 0 GGAARN COc1ccc(NC(=O)CS[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000101146869 570281144 /nfs/dbraw/zinc/28/11/44/570281144.db2.gz GXZILKGHAXOYRI-GOSISDBHSA-N 0 0 398.484 3.316 50 0 GGAARN CCn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCN(C)C3 ZINC000020813945 570281682 /nfs/dbraw/zinc/28/16/82/570281682.db2.gz IIICXVINTTYMIX-UHFFFAOYSA-N 0 0 399.541 3.441 50 0 GGAARN CCCSc1ccccc1NC(=O)Cn1ncc(N2CCCCC2)cc1=O ZINC000020861616 570282283 /nfs/dbraw/zinc/28/22/83/570282283.db2.gz UMDZUJLVYAFCAK-UHFFFAOYSA-N 0 0 386.521 3.374 50 0 GGAARN CC(C)(C)OC(=O)NCC(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000002317053 570282465 /nfs/dbraw/zinc/28/24/65/570282465.db2.gz ZQQBXXUODIBXJG-UHFFFAOYSA-N 0 0 393.823 3.365 50 0 GGAARN CC[C@@H](C)[C@@H](NC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O)C(=O)OC ZINC000020762331 570282487 /nfs/dbraw/zinc/28/24/87/570282487.db2.gz RCZRNABNLFAACC-YSGRDPCXSA-N 0 0 394.471 3.088 50 0 biogenic GGAARN COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC(C)C)cc1OC ZINC000002322293 570282589 /nfs/dbraw/zinc/28/25/89/570282589.db2.gz RVGLDRDJRLVGCG-PDGQHHTCSA-N 0 0 382.460 3.247 50 0 biogenic GGAARN Cn1ccnc1CN1CCC(Oc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000020866920 570282682 /nfs/dbraw/zinc/28/26/82/570282682.db2.gz JRWKNFWKNQSPMG-UHFFFAOYSA-N 0 0 382.508 3.090 50 0 GGAARN CN1CCN(C(=O)c2ccccc2-c2nc(-c3ccccc3Cl)no2)CC1 ZINC000002329385 570282884 /nfs/dbraw/zinc/28/28/84/570282884.db2.gz OXEVAWFVVYWQHS-UHFFFAOYSA-N 0 0 382.851 3.445 50 0 GGAARN NC(=O)c1ccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000002326600 570282914 /nfs/dbraw/zinc/28/29/14/570282914.db2.gz BNPDNJVXRLAAKT-UHFFFAOYSA-N 0 0 384.823 3.450 50 0 GGAARN Cc1ccc(S(=O)(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=O)cc1 ZINC000002329445 570282949 /nfs/dbraw/zinc/28/29/49/570282949.db2.gz DSQQOMFREMMIBZ-UHFFFAOYSA-N 0 0 397.452 3.488 50 0 GGAARN CCCOc1ccc(N2C(=O)C[C@H](N(Cc3ccco3)C(=O)CC)C2=O)cc1 ZINC000002336582 570283327 /nfs/dbraw/zinc/28/33/27/570283327.db2.gz FZGJHNBUWYHBDA-SFHVURJKSA-N 0 0 384.432 3.139 50 0 GGAARN O=C(CSc1ncccn1)N1CCC(c2n[nH]cc2Cc2ccccc2)CC1 ZINC000020878021 570283422 /nfs/dbraw/zinc/28/34/22/570283422.db2.gz TYJKRLDHXVIHJN-UHFFFAOYSA-N 0 0 393.516 3.289 50 0 GGAARN O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020898495 570283606 /nfs/dbraw/zinc/28/36/06/570283606.db2.gz HDSTYYZYTJRPBC-UHFFFAOYSA-N 0 0 392.565 3.458 50 0 GGAARN O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020898398 570283622 /nfs/dbraw/zinc/28/36/22/570283622.db2.gz KOIKTWDCYRZBKL-UHFFFAOYSA-N 0 0 390.549 3.235 50 0 GGAARN O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020898355 570283701 /nfs/dbraw/zinc/28/37/01/570283701.db2.gz DVMUWLOHMPIIFK-UHFFFAOYSA-N 0 0 376.453 3.006 50 0 GGAARN CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@@H]1c1ccccc1OC ZINC000002345837 570283659 /nfs/dbraw/zinc/28/36/59/570283659.db2.gz LZFAAZWZWCVSMD-LJQANCHMSA-N 0 0 376.416 3.276 50 0 GGAARN COc1cccc(-c2noc(-c3ccc(NC[C@H]4CCCO4)nc3)n2)c1OC ZINC000020905842 570283774 /nfs/dbraw/zinc/28/37/74/570283774.db2.gz QJEDUNVCEDSDEC-CQSZACIVSA-N 0 0 382.420 3.407 50 0 GGAARN CC(=O)C(C(C)=O)C(NC(=O)c1ccc(C)cc1)(C(F)(F)F)C(F)(F)F ZINC000100098059 570283826 /nfs/dbraw/zinc/28/38/26/570283826.db2.gz KCZNUJOEBTZMSC-UHFFFAOYSA-N 0 0 383.288 3.382 50 0 GGAARN CCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1 ZINC000002350379 570283961 /nfs/dbraw/zinc/28/39/61/570283961.db2.gz FOEDAFNWEPKIMX-UHFFFAOYSA-N 0 0 386.521 3.338 50 0 GGAARN CCOc1ccc(/C=c2/sc3nc(-c4ccccc4)nn3c2=O)cc1OCC ZINC000002363523 570284266 /nfs/dbraw/zinc/28/42/66/570284266.db2.gz QZRKQGWDFJIRNE-QGOAFFKASA-N 0 0 393.468 3.163 50 0 GGAARN CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1 ZINC000002366449 570284599 /nfs/dbraw/zinc/28/45/99/570284599.db2.gz HVDFSEPFOSTLDY-UHFFFAOYSA-N 0 0 396.520 3.454 50 0 GGAARN Cc1nc([C@@H](C)NCc2c(C(=O)N3CCCC3)nc3ccccn32)c(C)s1 ZINC000020917189 570284980 /nfs/dbraw/zinc/28/49/80/570284980.db2.gz OIOUHUYEIAKWFC-CYBMUJFWSA-N 0 0 383.521 3.494 50 0 GGAARN COc1cc(-c2nn3c(COc4ccccc4)nnc3s2)cc(OC)c1OC ZINC000002376446 570285085 /nfs/dbraw/zinc/28/50/85/570285085.db2.gz NPVJMMHRPLVFQD-UHFFFAOYSA-N 0 0 398.444 3.458 50 0 GGAARN CCc1ccc2oc(C(=O)N3CCN(c4ccccc4OC)CC3)cc(=O)c2c1 ZINC000006804463 570285225 /nfs/dbraw/zinc/28/52/25/570285225.db2.gz NDHJWWHQZBMIEB-UHFFFAOYSA-N 0 0 392.455 3.326 50 0 GGAARN O=C1CN(Cc2ccoc2)C[C@H](OCc2ccccn2)CN1Cc1ccccc1 ZINC000020995915 570286208 /nfs/dbraw/zinc/28/62/08/570286208.db2.gz BMKPDRFRNYWASD-QFIPXVFZSA-N 0 0 391.471 3.104 50 0 GGAARN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2nccn2CC)C1 ZINC000020995570 570286232 /nfs/dbraw/zinc/28/62/32/570286232.db2.gz QRLBNTRWGGBHSH-QFIPXVFZSA-N 0 0 385.508 3.300 50 0 GGAARN 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/nfs/dbraw/zinc/47/91/60/570479160.db2.gz SGVRQKAHHWKVEU-UHFFFAOYSA-N 0 0 375.413 3.346 50 0 GGAARN O=C(C[C@H]([NH2+]Cc1cccnc1)C(=O)[O-])Nc1ccc(Oc2ccccc2)cc1 ZINC000006423196 570479860 /nfs/dbraw/zinc/47/98/60/570479860.db2.gz CULXRZFEVYLTAH-FQEVSTJZSA-N 0 0 391.427 3.446 50 0 GGAARN Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCN(c4ncccn4)C3)cc2)n1 ZINC000029792791 570480261 /nfs/dbraw/zinc/48/02/61/570480261.db2.gz RJIBLQZAFHSPDJ-KRWDZBQOSA-N 0 0 376.464 3.134 50 0 GGAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000006507467 570482174 /nfs/dbraw/zinc/48/21/74/570482174.db2.gz WPSPZFQOBSITQB-UHFFFAOYSA-N 0 0 396.424 3.468 50 0 GGAARN CCc1c(C(=O)NCc2cn3c(cccc3C)n2)cnn1-c1ccc(F)cc1 ZINC000068569893 570485290 /nfs/dbraw/zinc/48/52/90/570485290.db2.gz OGINDLCTTQCIPV-UHFFFAOYSA-N 0 0 377.423 3.460 50 0 GGAARN CC(C)c1nnc2c(N(C)S(=O)(=O)c3ccccc3)nc3ccccc3n21 ZINC000002444943 570485822 /nfs/dbraw/zinc/48/58/22/570485822.db2.gz MEGFXLUNZPRUKC-UHFFFAOYSA-N 0 0 381.461 3.226 50 0 GGAARN CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCCn3ccnc3)ccc12 ZINC000006659822 570486584 /nfs/dbraw/zinc/48/65/84/570486584.db2.gz MJUKQENJTAVSOK-INIZCTEOSA-N 0 0 397.475 3.224 50 0 GGAARN CCOC(=O)c1c(NC(=O)N(CCO)Cc2ccccc2)sc2c1CCC2 ZINC000006662217 570486718 /nfs/dbraw/zinc/48/67/18/570486718.db2.gz BQMVMHUMFJDCBW-UHFFFAOYSA-N 0 0 388.489 3.440 50 0 GGAARN Cc1c(C)c2cc(Cl)c(OCC(=O)N=c3[nH]c4ccccc4[nH]3)cc2oc1=O ZINC000006664236 570486748 /nfs/dbraw/zinc/48/67/48/570486748.db2.gz HJWNHMBGAZKPNL-UHFFFAOYSA-N 0 0 397.818 3.379 50 0 GGAARN CCOC(=O)[C@](O)(c1ccc(NC(=O)NC2CCCCC2)cc1)C(F)(F)F ZINC000006690843 570488203 /nfs/dbraw/zinc/48/82/03/570488203.db2.gz XVNMWTYVELHPHA-QGZVFWFLSA-N 0 0 388.386 3.454 50 0 GGAARN O=C(Nc1ccc(Nc2ccc(N3CCOCC3)nn2)cc1)c1ccccc1 ZINC000006701509 570489081 /nfs/dbraw/zinc/48/90/81/570489081.db2.gz RBWDHRZAQHNZKA-UHFFFAOYSA-N 0 0 375.432 3.309 50 0 GGAARN COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000006701089 570489098 /nfs/dbraw/zinc/48/90/98/570489098.db2.gz 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Cc1nnc2ccc(-c3cccc(NC(=O)c4cc5ccccc5oc4=O)c3)nn12 ZINC000005168921 570490694 /nfs/dbraw/zinc/49/06/94/570490694.db2.gz CCLULFDOGHQWTM-UHFFFAOYSA-N 0 0 397.394 3.458 50 0 GGAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(C)on2)cc1 ZINC000006729128 570490740 /nfs/dbraw/zinc/49/07/40/570490740.db2.gz LIXIQYPVNKFOPX-HNNXBMFYSA-N 0 0 377.466 3.189 50 0 GGAARN Cc1cccc(NC(=O)CSc2nnc3ccc(-c4cccnc4)nn32)c1 ZINC000005168417 570490769 /nfs/dbraw/zinc/49/07/69/570490769.db2.gz NHFSERBDTCZJMA-UHFFFAOYSA-N 0 0 376.445 3.226 50 0 GGAARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)C1CCN(C(C)=O)CC1 ZINC000006728814 570490801 /nfs/dbraw/zinc/49/08/01/570490801.db2.gz IEJBFFYTDLDNGH-UHFFFAOYSA-N 0 0 386.473 3.399 50 0 GGAARN Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1C(=O)N1CCCCC1 ZINC000006729545 570490933 /nfs/dbraw/zinc/49/09/33/570490933.db2.gz WMFWIGJQWCBSHO-UHFFFAOYSA-N 0 0 386.517 3.442 50 0 GGAARN COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccn2)n1C ZINC000006731332 570491354 /nfs/dbraw/zinc/49/13/54/570491354.db2.gz 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CCOc1ccccc1NC(=O)[C@H](C)n1nnc2sc3c(c2c1=O)CCCC3 ZINC000005183349 570497137 /nfs/dbraw/zinc/49/71/37/570497137.db2.gz USNIFKIYTJBXRR-LBPRGKRZSA-N 0 0 398.488 3.330 50 0 GGAARN COC(=O)c1cn(-c2cncc3ccccc32)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000030822980 570497280 /nfs/dbraw/zinc/49/72/80/570497280.db2.gz DBZFYQWCUHYIGC-UHFFFAOYSA-N 0 0 396.406 3.463 50 0 GGAARN CN(C(=S)NC(=O)c1ccco1)c1ccccc1C(=O)NC1CCCCC1 ZINC000006871612 570497371 /nfs/dbraw/zinc/49/73/71/570497371.db2.gz MZQLVCCPFPEMFD-UHFFFAOYSA-N 0 0 385.489 3.493 50 0 GGAARN Cc1ccc(N2C[C@@H](NC(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1C ZINC000005188474 570498286 /nfs/dbraw/zinc/49/82/86/570498286.db2.gz CWENQCOMUOSTQO-INIZCTEOSA-N 0 0 381.432 3.002 50 0 GGAARN CCN1c2ccc(NC(=O)CS(=O)(=O)c3ccccc3)c3cccc(c23)C1=O ZINC000005189759 570498466 /nfs/dbraw/zinc/49/84/66/570498466.db2.gz SPQJUXDTGKKXLQ-UHFFFAOYSA-N 0 0 394.452 3.232 50 0 GGAARN COc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2N)c1 ZINC000005046690 570498586 /nfs/dbraw/zinc/49/85/86/570498586.db2.gz 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570503011 /nfs/dbraw/zinc/50/30/11/570503011.db2.gz GXGBQBDJDWBHPK-UHFFFAOYSA-N 0 0 381.461 3.469 50 0 GGAARN Cc1nc(NC(=O)CSc2nnc(COc3ccccc3)n2C)sc1C ZINC000007341806 570503025 /nfs/dbraw/zinc/50/30/25/570503025.db2.gz UWNAVNXVKCJFQH-UHFFFAOYSA-N 0 0 389.506 3.198 50 0 GGAARN COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccco4)[C@H]3C2=O)cc1 ZINC000101171571 570505136 /nfs/dbraw/zinc/50/51/36/570505136.db2.gz MLMNIIWAGRXMHP-HSALFYBXSA-N 0 0 390.395 3.339 50 0 GGAARN COc1ccccc1NC(=O)CN1C(=O)C(c2ccc(Cl)cc2)=NC1(C)C ZINC000002712964 570505555 /nfs/dbraw/zinc/50/55/55/570505555.db2.gz IRIFOUGFCVVKFN-UHFFFAOYSA-N 0 0 385.851 3.355 50 0 GGAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 ZINC000002703857 570505878 /nfs/dbraw/zinc/50/58/78/570505878.db2.gz FLUDHDDMFZDFSF-INIZCTEOSA-N 0 0 391.408 3.403 50 0 GGAARN O=C(NCc1cccnc1)c1ccc2c(c1)ncn(-c1cccc(Cl)c1)c2=O ZINC000031820881 570506641 /nfs/dbraw/zinc/50/66/41/570506641.db2.gz BCHNUSQBRUGHKO-UHFFFAOYSA-N 0 0 390.830 3.364 50 0 GGAARN CC(C)(C)c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000002709766 570506653 /nfs/dbraw/zinc/50/66/53/570506653.db2.gz RRHQXVAYZHQRDS-UHFFFAOYSA-N 0 0 393.534 3.477 50 0 GGAARN CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)Nc4ccc(F)cc4)C3)nn21 ZINC000032071810 570507677 /nfs/dbraw/zinc/50/76/77/570507677.db2.gz YXKCPMPYMVQLGP-CQSZACIVSA-N 0 0 382.443 3.242 50 0 GGAARN CN(c1ccc(C(=O)NCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000005205836 570507659 /nfs/dbraw/zinc/50/76/59/570507659.db2.gz XBBHYVJUBRQWPH-UHFFFAOYSA-N 0 0 380.469 3.442 50 0 GGAARN Cc1c2oc3c(c2cc2c(C)c(CCC(=O)NCCCO)c(=O)oc12)CCCC3 ZINC000006623843 570507852 /nfs/dbraw/zinc/50/78/52/570507852.db2.gz NQLXXAHXZXLQJL-UHFFFAOYSA-N 0 0 397.471 3.466 50 0 biogenic GGAARN COc1cccc(NC(=O)[C@H]2CCCN(c3ccc4nnc(C(C)C)n4n3)C2)c1 ZINC000032095931 570508488 /nfs/dbraw/zinc/50/84/88/570508488.db2.gz LPIOTVKRDBXJQK-HNNXBMFYSA-N 0 0 394.479 3.111 50 0 GGAARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccc4c(c3)OCCO4)o2)C1 ZINC000002720475 570508597 /nfs/dbraw/zinc/50/85/97/570508597.db2.gz PKJCQFGMWVMNQE-STQMWFEESA-N 0 0 389.477 3.104 50 0 GGAARN O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)NC1CCCCC1 ZINC000002720488 570508651 /nfs/dbraw/zinc/50/86/51/570508651.db2.gz RZFZXTZURCZARZ-OAHLLOKOSA-N 0 0 375.450 3.123 50 0 GGAARN COc1ccc(OC)c(-c2nnc(SCC(=O)NC3CCCCC3)o2)c1 ZINC000002720451 570508661 /nfs/dbraw/zinc/50/86/61/570508661.db2.gz QERPTWJFLUKITN-UHFFFAOYSA-N 0 0 377.466 3.295 50 0 GGAARN CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)o1 ZINC000002720461 570508754 /nfs/dbraw/zinc/50/87/54/570508754.db2.gz GNYOUHWUDGSUDL-AWEZNQCLSA-N 0 0 389.477 3.391 50 0 GGAARN CC(C)(C)c1ccc(NC(=O)[C@H]2CCCN(c3ccc4nncn4n3)C2)cc1 ZINC000032105191 570508801 /nfs/dbraw/zinc/50/88/01/570508801.db2.gz GNBVCPDYUDMHII-HNNXBMFYSA-N 0 0 378.480 3.277 50 0 GGAARN COc1cccc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000002723135 570509053 /nfs/dbraw/zinc/50/90/53/570509053.db2.gz CMHWJOXNWZFPIG-UHFFFAOYSA-N 0 0 383.429 3.340 50 0 GGAARN 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570600478 /nfs/dbraw/zinc/60/04/78/570600478.db2.gz NFXJOOXZNSEWIX-UHFFFAOYSA-N 0 0 380.488 3.149 50 0 GGAARN COCCn1ccc2c(cnc3c(-c4ccc(Cl)cc4)c(COC)nn32)c1=O ZINC000040397752 570601354 /nfs/dbraw/zinc/60/13/54/570601354.db2.gz IRUVSLOXSWXPIB-UHFFFAOYSA-N 0 0 398.850 3.157 50 0 GGAARN CN(Cc1cnn(C)c1)C(=O)C[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000012055531 570602074 /nfs/dbraw/zinc/60/20/74/570602074.db2.gz ICSCMFZKZHTWRO-LJQANCHMSA-N 0 0 377.444 3.329 50 0 GGAARN CCOC(=O)[C@]1(CCCc2ccccc2)CCCN(C(=O)c2cnccn2)C1 ZINC000012055524 570602083 /nfs/dbraw/zinc/60/20/83/570602083.db2.gz RCQSICKLOCLAMV-JOCHJYFZSA-N 0 0 381.476 3.285 50 0 GGAARN CN(Cc1cnn(C)c1)C(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000012055528 570602145 /nfs/dbraw/zinc/60/21/45/570602145.db2.gz ICSCMFZKZHTWRO-IBGZPJMESA-N 0 0 377.444 3.329 50 0 GGAARN CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)c2cnccn2)C1 ZINC000012055521 570602196 /nfs/dbraw/zinc/60/21/96/570602196.db2.gz RCQSICKLOCLAMV-QFIPXVFZSA-N 0 0 381.476 3.285 50 0 GGAARN COc1cccc(-c2c3c(ccn(CCC(C)C)c3=O)nc3nc(C)nn32)c1 ZINC000040398479 570602232 /nfs/dbraw/zinc/60/22/32/570602232.db2.gz HPKFXBQYNBPDLP-UHFFFAOYSA-N 0 0 377.448 3.469 50 0 GGAARN Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(CCCO)C3=O)c1 ZINC000005462843 570602460 /nfs/dbraw/zinc/60/24/60/570602460.db2.gz GOPZZNOTEINIJY-HXUWFJFHSA-N 0 0 395.434 3.466 50 0 GGAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)NC(C)C)CC2=O)cc1 ZINC000012062142 570603870 /nfs/dbraw/zinc/60/38/70/570603870.db2.gz JLMVPTUESQKEBP-QGZVFWFLSA-N 0 0 390.487 3.390 50 0 GGAARN CC1=C(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)OCCO1 ZINC000012091206 570607806 /nfs/dbraw/zinc/60/78/06/570607806.db2.gz INRBWSLKZOBJPN-KRWDZBQOSA-N 0 0 385.439 3.419 50 0 GGAARN Cc1c(O[C@H](C)C(=O)NCc2cccnc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000006804509 570608327 /nfs/dbraw/zinc/60/83/27/570608327.db2.gz JNHZCTBTPZVTAH-OAHLLOKOSA-N 0 0 392.455 3.459 50 0 GGAARN Cc1c(O[C@@H](C)C(=O)NCc2ccccn2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000006804511 570608482 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CCOc1ccccc1C(=O)N(Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000006811004 570615867 /nfs/dbraw/zinc/61/58/67/570615867.db2.gz YYOABIDSMGEQPR-QGZVFWFLSA-N 0 0 391.464 3.054 50 0 GGAARN CCc1nnc2n1N[C@H](c1ccccc1)[C@@H](C(=O)Nc1cccc(OC)c1)S2 ZINC000006811826 570616638 /nfs/dbraw/zinc/61/66/38/570616638.db2.gz GYEDJEIERMAILW-MSOLQXFVSA-N 0 0 395.488 3.247 50 0 GGAARN CCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1OC)S2 ZINC000006811840 570616663 /nfs/dbraw/zinc/61/66/63/570616663.db2.gz KCGLQNKTTIVLIJ-QZTJIDSGSA-N 0 0 395.488 3.247 50 0 GGAARN CCc1nnc2n1N[C@@H](c1ccccc1)[C@H](C(=O)Nc1ccc(OC)cc1)S2 ZINC000006811817 570616668 /nfs/dbraw/zinc/61/66/68/570616668.db2.gz CANGYCQGAQMBEK-ZWKOTPCHSA-N 0 0 395.488 3.247 50 0 GGAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000006822752 570624505 /nfs/dbraw/zinc/62/45/05/570624505.db2.gz POKPLYGUXDCUKS-UHFFFAOYSA-N 0 0 397.482 3.447 50 0 GGAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000004593546 570624613 /nfs/dbraw/zinc/62/46/13/570624613.db2.gz KCOBPCXTEANSGM-VAMGGRTRSA-N 0 0 389.386 3.272 50 0 GGAARN Cc1cccc(-c2nnn(CC(=O)Nc3ccc(OC(F)(F)Cl)cc3)n2)c1 ZINC000004594207 570624793 /nfs/dbraw/zinc/62/47/93/570624793.db2.gz SJDRHNFGOGJHNM-UHFFFAOYSA-N 0 0 393.781 3.455 50 0 GGAARN CCn1c2ccccc2nc1CN1CCN(Cc2cccs2)[C@H](CCO)C1 ZINC000042987491 570624937 /nfs/dbraw/zinc/62/49/37/570624937.db2.gz FVOGRQGMRYHHRA-QGZVFWFLSA-N 0 0 384.549 3.187 50 0 GGAARN COc1ccc(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)cc1O ZINC000043103284 570625637 /nfs/dbraw/zinc/62/56/37/570625637.db2.gz MHWJAUARGHKPCC-UHFFFAOYSA-N 0 0 379.416 3.078 50 0 GGAARN Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(C(C)(C)C)n1 ZINC000043206649 570626185 /nfs/dbraw/zinc/62/61/85/570626185.db2.gz HBPXWEPKNBHKAX-NSHDSACASA-N 0 0 393.538 3.354 50 0 in-vitro GGAARN C[C@@H]1CCc2sc3nc(SCC(=O)N4CCCC4)n4ncnc4c3c2C1 ZINC000005533391 570627816 /nfs/dbraw/zinc/62/78/16/570627816.db2.gz GDLRRBWIUWUCDE-LLVKDONJSA-N 0 0 387.534 3.178 50 0 GGAARN O=C(c1c(F)cccc1F)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 ZINC000040566500 570628339 /nfs/dbraw/zinc/62/83/39/570628339.db2.gz WVMQDMHGXHGMTF-OLZOCXBDSA-N 0 0 376.428 3.114 50 0 GGAARN CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN21 ZINC000043727071 570629686 /nfs/dbraw/zinc/62/96/86/570629686.db2.gz GXCSIUNHINIJHW-WCIQWLHISA-N 0 0 392.842 3.444 50 0 GGAARN O=C(NCCc1ccc2c(c1)OCO2)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000043889268 570630562 /nfs/dbraw/zinc/63/05/62/570630562.db2.gz KGVIJRXFBLNNKP-SFHVURJKSA-N 0 0 384.432 3.337 50 0 GGAARN COc1ccc(C(=O)N2C(=O)CC[C@@H]2CCC(=O)OCc2ccccc2)cc1 ZINC000044125985 570632177 /nfs/dbraw/zinc/63/21/77/570632177.db2.gz YLOIPYKKEWIWTA-GOSISDBHSA-N 0 0 381.428 3.350 50 0 GGAARN O=C(Nc1nnc([C@H]2CCCO2)s1)c1cc(=O)c(OCc2ccccc2)co1 ZINC000036354505 570635708 /nfs/dbraw/zinc/63/57/08/570635708.db2.gz QVSMRCHQTVMQKP-CQSZACIVSA-N 0 0 399.428 3.174 50 0 GGAARN COc1ccc(Cc2nnc(NC(=O)c3csc(NC4CC4)n3)s2)cc1 ZINC000036356952 570637007 /nfs/dbraw/zinc/63/70/07/570637007.db2.gz YPJKNIUVFWUEIY-UHFFFAOYSA-N 0 0 387.490 3.421 50 0 GGAARN CCOC(=O)Cc1csc(NC(=O)Cn2cc(C(C)=O)c3ccccc32)n1 ZINC000036357385 570637417 /nfs/dbraw/zinc/63/74/17/570637417.db2.gz GNXGXBRDLJDWLO-UHFFFAOYSA-N 0 0 385.445 3.045 50 0 GGAARN Cc1cnc(NC(=O)c2ccc(Cn3cnc4ccccc4c3=O)cc2)s1 ZINC000036357452 570637822 /nfs/dbraw/zinc/63/78/22/570637822.db2.gz XPOKEXZXHSFFKU-UHFFFAOYSA-N 0 0 376.441 3.462 50 0 GGAARN CC(=O)N(CCC(C)C)c1nc(C)c(C(=O)N=c2[nH]c3ccccc3[nH]2)s1 ZINC000036357891 570638357 /nfs/dbraw/zinc/63/83/57/570638357.db2.gz CFGBGSGAJAQOAG-UHFFFAOYSA-N 0 0 385.493 3.401 50 0 GGAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(=O)c(OCc2ccccc2F)co1 ZINC000036358305 570638853 /nfs/dbraw/zinc/63/88/53/570638853.db2.gz SCTHTTZRBGKWPA-UHFFFAOYSA-N 0 0 383.331 3.339 50 0 GGAARN O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1nnc(C2CCCCC2)s1 ZINC000044890284 570639468 /nfs/dbraw/zinc/63/94/68/570639468.db2.gz MVULYBIZGBESOF-UHFFFAOYSA-N 0 0 395.488 3.448 50 0 GGAARN COc1cccc(-c2ccc(=O)n(CC(=O)Nc3cccc(SC)c3)n2)c1 ZINC000044893969 570639597 /nfs/dbraw/zinc/63/95/97/570639597.db2.gz WWLIWAFPWKUKKH-UHFFFAOYSA-N 0 0 381.457 3.280 50 0 GGAARN O=C(CC1(Cn2cnc3ccccc3c2=O)CCCCC1)NCc1cccnc1 ZINC000036358767 570640052 /nfs/dbraw/zinc/64/00/52/570640052.db2.gz KDPGILFNRUWEQA-UHFFFAOYSA-N 0 0 390.487 3.449 50 0 GGAARN Cc1cccc2nc(CNC(=O)c3cn(Cc4cccc5ccccc54)nn3)cn21 ZINC000012317682 570641661 /nfs/dbraw/zinc/64/16/61/570641661.db2.gz ITAVIMBLRPBBDX-UHFFFAOYSA-N 0 0 396.454 3.366 50 0 GGAARN CC[C@H](C)N1C(=O)c2ccc(C(=O)Nc3nnc(CC(C)C)s3)cc2C1=O ZINC000036359833 570642563 /nfs/dbraw/zinc/64/25/63/570642563.db2.gz QYFXVXGCXBWWMZ-NSHDSACASA-N 0 0 386.477 3.383 50 0 GGAARN Cc1c(C(=O)NCCc2cccc(C)c2)sc2nc3n(c(=O)c12)CCCC3 ZINC000006841110 570642730 /nfs/dbraw/zinc/64/27/30/570642730.db2.gz QKHRQFPNBZBFQX-UHFFFAOYSA-N 0 0 381.501 3.384 50 0 GGAARN C[C@@H]1CN(C(=O)N2CCC(C(=O)NCc3cccs3)CC2)c2ccccc2O1 ZINC000006842052 570643496 /nfs/dbraw/zinc/64/34/96/570643496.db2.gz 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Cc1ccc(CNC(=O)c2nnn(Cc3ccccc3F)c2-c2ccncc2)o1 ZINC000206643951 570649591 /nfs/dbraw/zinc/64/95/91/570649591.db2.gz SYMLDYNOIJBYMA-UHFFFAOYSA-N 0 0 391.406 3.359 50 0 GGAARN C[C@H](NC(=O)c1nnn(Cc2ccccc2)c1-c1ccncc1)c1ccccn1 ZINC000206643188 570649726 /nfs/dbraw/zinc/64/97/26/570649726.db2.gz HTCOEYNBLYKRMG-INIZCTEOSA-N 0 0 384.443 3.274 50 0 GGAARN COc1ccc(-c2cc3c(SCC(=O)NCc4ccco4)nccn3n2)cc1 ZINC000046005274 570649817 /nfs/dbraw/zinc/64/98/17/570649817.db2.gz DOAFKPRQUSCVLP-UHFFFAOYSA-N 0 0 394.456 3.406 50 0 GGAARN Cc1cccnc1NC(=O)CCc1nc(-c2ccc(C)n(C(C)C)c2=O)no1 ZINC000046020611 570650416 /nfs/dbraw/zinc/65/04/16/570650416.db2.gz NLYSUUXKHDADPF-UHFFFAOYSA-N 0 0 381.436 3.062 50 0 GGAARN CCCn1c(C)ccc(-c2noc(CCC(=O)Nc3ccc(F)cc3)n2)c1=O ZINC000046020455 570650461 /nfs/dbraw/zinc/65/04/61/570650461.db2.gz VRTIFFBFQNECAI-UHFFFAOYSA-N 0 0 384.411 3.327 50 0 GGAARN CCOc1ccc(NC(=O)CCNC(=O)c2nc(SC)ncc2Cl)cc1 ZINC000041156241 570653958 /nfs/dbraw/zinc/65/39/58/570653958.db2.gz 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570656153 /nfs/dbraw/zinc/65/61/53/570656153.db2.gz QIWXBFDHNVJIIZ-UHFFFAOYSA-N 0 0 399.397 3.058 50 0 biogenic,in-vitro GGAARN CCCNC(=O)c1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c2ccccc12 ZINC000012411137 570656162 /nfs/dbraw/zinc/65/61/62/570656162.db2.gz BKOOEMQTIGXOIK-UHFFFAOYSA-N 0 0 391.471 3.397 50 0 biogenic,in-vitro GGAARN Cc1ncsc1-c1ccn(CC(=O)Nc2cc(-c3ccccc3)nn2C)n1 ZINC000048179274 570656237 /nfs/dbraw/zinc/65/62/37/570656237.db2.gz ZEWXFXUFXIMSCO-UHFFFAOYSA-N 0 0 378.461 3.354 50 0 GGAARN CCOc1ccccc1C(=O)N(Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000005574167 570656640 /nfs/dbraw/zinc/65/66/40/570656640.db2.gz MGUCRPBZOJLMJG-GOSISDBHSA-N 0 0 387.501 3.223 50 0 GGAARN Cc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc(N4C(=O)CCC4=O)nn32)cc1 ZINC000005574769 570656655 /nfs/dbraw/zinc/65/66/55/570656655.db2.gz NDFYGOSHKAGTKQ-ROUUACIJSA-N 0 0 387.443 3.386 50 0 GGAARN COc1cccc(-c2n[nH]c3c2CN(C(=O)c2ccc(C(C)=O)cc2)CC3)c1 ZINC000048235897 570656697 /nfs/dbraw/zinc/65/66/97/570656697.db2.gz 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ZINC000169753977 570660092 /nfs/dbraw/zinc/66/00/92/570660092.db2.gz HIVPYQHLQOWREM-OAHLLOKOSA-N 0 0 380.423 3.233 50 0 GGAARN COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4ccc(C)cc4)C3)n[nH]2)cc1 ZINC000169753981 570660141 /nfs/dbraw/zinc/66/01/41/570660141.db2.gz VZFNHRXTRHMSMG-GOSISDBHSA-N 0 0 376.460 3.402 50 0 GGAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1[nH]nnc1-c1cccc(Cl)c1 ZINC000206652638 570660286 /nfs/dbraw/zinc/66/02/86/570660286.db2.gz CHECRFQNQBSXOZ-UHFFFAOYSA-N 0 0 395.850 3.182 50 0 GGAARN COc1ccc(-c2cc(N3CCC[C@H](NC(=O)Cc4ccsc4)C3)n[nH]2)cc1 ZINC000169753662 570660321 /nfs/dbraw/zinc/66/03/21/570660321.db2.gz ZTIOOCJMECSMFQ-KRWDZBQOSA-N 0 0 396.516 3.475 50 0 GGAARN Cc1ccc(CC(=O)N[C@H]2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc1 ZINC000169754112 570660548 /nfs/dbraw/zinc/66/05/48/570660548.db2.gz IYKODVXMNJGDGD-IBGZPJMESA-N 0 0 378.451 3.462 50 0 GGAARN COc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4cccs4)[nH]n3)C2)c(OC)c1 ZINC000169754190 570660584 /nfs/dbraw/zinc/66/05/84/570660584.db2.gz 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CC(=O)Nc1ccc(C(=O)N[C@H]2CCN(c3cc(-c4cccs4)[nH]n3)C2)cc1 ZINC000169759499 570661924 /nfs/dbraw/zinc/66/19/24/570661924.db2.gz ACVCHRJSLHTWAY-INIZCTEOSA-N 0 0 395.488 3.105 50 0 GGAARN COc1ccc(-c2cc(N3CC[C@@H](NC(=O)c4cccc(OC)c4)C3)n[nH]2)cc1 ZINC000169759534 570662054 /nfs/dbraw/zinc/66/20/54/570662054.db2.gz JOAQKGNYACHGNY-QGZVFWFLSA-N 0 0 392.459 3.103 50 0 GGAARN CCOc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccccn5)no4)c3CO2)cc1 ZINC000169758402 570662235 /nfs/dbraw/zinc/66/22/35/570662235.db2.gz OJYLLNNIPIFSPG-QGZVFWFLSA-N 0 0 390.403 3.060 50 0 GGAARN COc1cccc([C@@H]2Cn3nnc(-c4nc(-c5ccsc5)no4)c3CO2)c1 ZINC000169758487 570662454 /nfs/dbraw/zinc/66/24/54/570662454.db2.gz VSVWTALCUJCRGO-HNNXBMFYSA-N 0 0 381.417 3.337 50 0 GGAARN O=C(Nc1ccc(F)cc1)c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2 ZINC000169760338 570663162 /nfs/dbraw/zinc/66/31/62/570663162.db2.gz CZBOEQLCKZNNRL-LJQANCHMSA-N 0 0 381.363 3.275 50 0 GGAARN COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N2CCCCC2)cc1OC ZINC000000858193 570663776 /nfs/dbraw/zinc/66/37/76/570663776.db2.gz DAALVMLMLNACPR-XDJHFCHBSA-N 0 0 394.471 3.487 50 0 GGAARN Cc1cccc(CNC(=O)c2cc3n(n2)C[C@@H](c2ccc4c(c2)OCO4)OC3)c1 ZINC000169759896 570663953 /nfs/dbraw/zinc/66/39/53/570663953.db2.gz YFOYSSIGVYMGJO-NRFANRHFSA-N 0 0 391.427 3.122 50 0 GGAARN O=C(Cn1ccn2nc3c(c2c1=O)CCCC3)Nc1cccc(C(F)(F)F)c1 ZINC000169759944 570664096 /nfs/dbraw/zinc/66/40/96/570664096.db2.gz MXJZFJZLNHLILH-UHFFFAOYSA-N 0 0 390.365 3.032 50 0 GGAARN C[C@@H](NC(=O)c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2)c1ccccc1 ZINC000169759880 570664153 /nfs/dbraw/zinc/66/41/53/570664153.db2.gz LLSZKNGUOWTQSD-SPLOXXLWSA-N 0 0 391.427 3.374 50 0 GGAARN CCCOc1ccc(N2C(=O)CS[C@]23c2ccccc2N(C(C)=O)C3=O)cc1 ZINC000012411307 570666911 /nfs/dbraw/zinc/66/69/11/570666911.db2.gz DFGKUNJTBYRNIM-NRFANRHFSA-N 0 0 396.468 3.301 50 0 GGAARN CN1c2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2C(=O)N2CCCC[C@@H]12 ZINC000169766544 570673877 /nfs/dbraw/zinc/67/38/77/570673877.db2.gz XGUVKWJHEOIZNQ-FQEVSTJZSA-N 0 0 393.443 3.112 50 0 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/nfs/dbraw/zinc/67/67/00/570676700.db2.gz UOLVWYNTXOKMTQ-UHFFFAOYSA-N 0 0 383.517 3.267 50 0 GGAARN NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1cc2cc(Cl)ccc2oc1=O ZINC000004340016 570678144 /nfs/dbraw/zinc/67/81/44/570678144.db2.gz RYQZJXWLEUGJFV-UHFFFAOYSA-N 0 0 397.770 3.084 50 0 GGAARN Cc1ccc2oc(C(=O)NCCc3nc(-c4ccccc4)no3)cc(=O)c2c1 ZINC000032593729 570679504 /nfs/dbraw/zinc/67/95/04/570679504.db2.gz HXASMLPNAWINQK-UHFFFAOYSA-N 0 0 375.384 3.124 50 0 GGAARN COc1ccc(S(=O)(=O)NCCc2sc(-c3cccnc3)nc2C)cc1 ZINC000004346957 570680324 /nfs/dbraw/zinc/68/03/24/570680324.db2.gz MHZHKFHNABBHIB-UHFFFAOYSA-N 0 0 389.502 3.043 50 0 GGAARN O=C(NC1CCCCCC1)N1CCC(Cn2cc(-c3cccnc3)nn2)CC1 ZINC000055060719 570681085 /nfs/dbraw/zinc/68/10/85/570681085.db2.gz JGXDLNWSAUOYJJ-UHFFFAOYSA-N 0 0 382.512 3.485 50 0 GGAARN COc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)c(OC)cc1Cl ZINC000055069974 570681325 /nfs/dbraw/zinc/68/13/25/570681325.db2.gz PNFIAEMIKHREIR-UHFFFAOYSA-N 0 0 389.883 3.118 50 0 GGAARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)C(C)(C)C)c3)C(=O)[C@H]21 ZINC000239175779 570681742 /nfs/dbraw/zinc/68/17/42/570681742.db2.gz QPXUKSXIIDNPAJ-SKDZVZGDSA-N 0 0 383.444 3.160 50 0 GGAARN CCc1ccccc1NS(=O)(=O)c1ccc2oc(=O)c3ncn(C)c3c2c1 ZINC000006887474 570681760 /nfs/dbraw/zinc/68/17/60/570681760.db2.gz IIFFZPOHWWAHHP-UHFFFAOYSA-N 0 0 383.429 3.043 50 0 GGAARN Cc1ccc(NC(=O)NCCN2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1 ZINC000055087913 570682042 /nfs/dbraw/zinc/68/20/42/570682042.db2.gz NHJBAPXWMLJWCN-UHFFFAOYSA-N 0 0 395.507 3.275 50 0 GGAARN CC(C)CC(=O)C(=O)N1CCC2(CC1)Nc1ccccc1N(CC(C)C)C2=O ZINC000055107503 570683084 /nfs/dbraw/zinc/68/30/84/570683084.db2.gz YOOJTYXVONXFQP-UHFFFAOYSA-N 0 0 385.508 3.078 50 0 GGAARN CC[C@@H](C)[C@@H](NC(=O)CCCn1c(C)cc(O)cc1=O)c1nc2ccccc2[nH]1 ZINC000526052576 570683761 /nfs/dbraw/zinc/68/37/61/570683761.db2.gz NZRLEJHGBGXQMA-SPLOXXLWSA-N 0 0 396.491 3.422 50 0 GGAARN Nc1nc([C@H]2C[C@@H](NC(=O)c3ccccc3-c3ccccc3F)C2)cc(=O)[nH]1 ZINC000240203855 570684528 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O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1nc2c(s1)CCCC2 ZINC000061719615 570743395 /nfs/dbraw/zinc/74/33/95/570743395.db2.gz LPCAASHRPNLDSK-UHFFFAOYSA-N 0 0 384.436 3.023 50 0 GGAARN COc1cccc(NC(=O)CC[C@H]2NC(=O)N([C@H](C)c3ccccc3)C2=O)c1 ZINC000036589812 570745818 /nfs/dbraw/zinc/74/58/18/570745818.db2.gz CAZVOSRIXAUWMZ-RDTXWAMCSA-N 0 0 381.432 3.300 50 0 GGAARN CC(=O)Nc1ccc(CC(=O)NC[C@H]2CCCN2c2nc3ccccc3o2)cc1 ZINC000206773532 570750168 /nfs/dbraw/zinc/75/01/68/570750168.db2.gz XKBRLCINFHEQNS-GOSISDBHSA-N 0 0 392.459 3.114 50 0 GGAARN Cn1nc(C2CC2)cc1NC(=O)Cn1cc(-c2cccc(C(F)(F)F)n2)cn1 ZINC000063845588 570750642 /nfs/dbraw/zinc/75/06/42/570750642.db2.gz UBARBSCUPSVKGN-UHFFFAOYSA-N 0 0 390.369 3.214 50 0 GGAARN Cc1nn(C(F)F)cc1S(=O)(=O)NCc1ccccc1N1CCC(C)CC1 ZINC000036615131 570750811 /nfs/dbraw/zinc/75/08/11/570750811.db2.gz FSENFXPISIHGCA-UHFFFAOYSA-N 0 0 398.479 3.301 50 0 GGAARN CCN(Cc1nonc1C)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C ZINC000036616045 570751628 /nfs/dbraw/zinc/75/16/28/570751628.db2.gz 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ZINC000206800623 570753122 /nfs/dbraw/zinc/75/31/22/570753122.db2.gz VMYKQNSOQMTADH-SJLPKXTDSA-N 0 0 399.418 3.010 50 0 GGAARN COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)/C=C/c1cccs1 ZINC000206794981 570753170 /nfs/dbraw/zinc/75/31/70/570753170.db2.gz WLQGTPXBHSUVGA-OPIZNEOISA-N 0 0 375.421 3.122 50 0 GGAARN Cc1c(NC(=O)C2(c3ccccc3)CCOCC2)c(=O)n(-c2ccccc2)n1C ZINC000001109823 570753484 /nfs/dbraw/zinc/75/34/84/570753484.db2.gz RQTGBRJYZFSIQO-UHFFFAOYSA-N 0 0 391.471 3.171 50 0 GGAARN CO[C@H](CNS(=O)(=O)c1ccc(NC(C)=O)cc1C)c1ccccc1Cl ZINC000206853289 570753593 /nfs/dbraw/zinc/75/35/93/570753593.db2.gz HFNKRZZLBLRGAM-QGZVFWFLSA-N 0 0 396.896 3.273 50 0 GGAARN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H](C)C2)c2c(C)nn(C)c2n1 ZINC000036616848 570753965 /nfs/dbraw/zinc/75/39/65/570753965.db2.gz LMNYDAUXRIVDMQ-LBPRGKRZSA-N 0 0 380.496 3.166 50 0 GGAARN CC(C)C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2[nH]1 ZINC000052633778 570755664 /nfs/dbraw/zinc/75/56/64/570755664.db2.gz OHNGUFNKIXHCFX-GOSISDBHSA-N 0 0 375.436 3.056 50 0 GGAARN Cc1ccc(=O)n([C@@H](C)C(=O)Nc2ccccc2-c2cn3cccc(C)c3n2)n1 ZINC000206902477 570755619 /nfs/dbraw/zinc/75/56/19/570755619.db2.gz BRMFQNAAERUVOU-INIZCTEOSA-N 0 0 387.443 3.375 50 0 GGAARN CCCCOC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1 ZINC000025527162 570757189 /nfs/dbraw/zinc/75/71/89/570757189.db2.gz HXVAOOAMTUSYMO-LJQANCHMSA-N 0 0 393.447 3.053 50 0 GGAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N[C@H](C)Cn3cccn3)c12 ZINC000036613805 570757530 /nfs/dbraw/zinc/75/75/30/570757530.db2.gz NVEWMFWRFSEDJS-GFCCVEGCSA-N 0 0 379.395 3.352 50 0 GGAARN COc1ccc(-c2cc(C(=O)N(C)Cc3ccnn3C)c3c(C)noc3n2)cc1 ZINC000036613788 570757539 /nfs/dbraw/zinc/75/75/39/570757539.db2.gz COZJSJHSBXXZCM-UHFFFAOYSA-N 0 0 391.431 3.213 50 0 GGAARN CCn1cc(CN(C)c2nc(-c3cnn(C)c3)cc(C(F)(F)F)n2)c(C)n1 ZINC000036613516 570757560 /nfs/dbraw/zinc/75/75/60/570757560.db2.gz DTSLIYKVUVBZFB-UHFFFAOYSA-N 0 0 379.390 3.057 50 0 GGAARN CCn1ncc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2cnn3C)c1C ZINC000036613482 570757656 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CCCCn1nc(NC(=O)c2cc(-c3cnn(C)c3)nc3onc(C)c32)cc1C ZINC000036619519 570761848 /nfs/dbraw/zinc/76/18/48/570761848.db2.gz FMRMZNYLKOPGBE-UHFFFAOYSA-N 0 0 393.451 3.489 50 0 GGAARN Cc1cc(OC2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)cc(=O)o1 ZINC000206975994 570763232 /nfs/dbraw/zinc/76/32/32/570763232.db2.gz MQMOFTZZDTVOAL-UHFFFAOYSA-N 0 0 397.880 3.142 50 0 GGAARN O=C(c1cccc(Oc2ccccn2)c1)N1CCC(N2C(=O)CSC2=O)CC1 ZINC000206982997 570763585 /nfs/dbraw/zinc/76/35/85/570763585.db2.gz ANBNZZBWKDGNQE-UHFFFAOYSA-N 0 0 397.456 3.174 50 0 GGAARN Cc1cccc(C)c1NC(=O)CCn1c2nn(C)cc2c(C(F)(F)F)cc1=O ZINC000036621561 570764402 /nfs/dbraw/zinc/76/44/02/570764402.db2.gz SCTHFSDDLPCUJO-UHFFFAOYSA-N 0 0 392.381 3.399 50 0 GGAARN OCCOCCn1cnc(-c2ccccc2)c1-c1ccccc1Cn1cccn1 ZINC000065393846 570764657 /nfs/dbraw/zinc/76/46/57/570764657.db2.gz ICLWAVIBMTWWSA-UHFFFAOYSA-N 0 0 388.471 3.471 50 0 GGAARN Cc1ccc2nc(C)c(C)c(C(=O)N3CCC(O)(Cn4ccnc4)CC3)c2c1 ZINC000065393555 570764791 /nfs/dbraw/zinc/76/47/91/570764791.db2.gz 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CCCCCCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000524732029 570766758 /nfs/dbraw/zinc/76/67/58/570766758.db2.gz UQJGZQRRKDZHIV-NRFANRHFSA-N 0 0 391.471 3.498 50 0 biogenic GGAARN COc1ccc2c(c1)c(C(=O)NCc1nnc(-c3ccccc3)o1)c(C)n2C ZINC000065420916 570767356 /nfs/dbraw/zinc/76/73/56/570767356.db2.gz LJYZJSHPMSMNFT-UHFFFAOYSA-N 0 0 376.416 3.475 50 0 GGAARN O=C(CCc1nc(C2CC2)nn1-c1ccc2c(c1)OCO2)Nc1cccc(O)c1 ZINC000065421592 570767789 /nfs/dbraw/zinc/76/77/89/570767789.db2.gz RTHVMVOPCLPAHJ-UHFFFAOYSA-N 0 0 392.415 3.150 50 0 GGAARN COc1cc2c(cc1OC)[C@@H](NC(=O)Cn1cnc(-c3ccccc3)c1)CC2 ZINC000524733130 570768122 /nfs/dbraw/zinc/76/81/22/570768122.db2.gz XCHOUKKRBBOHKX-SFHVURJKSA-N 0 0 377.444 3.371 50 0 GGAARN O=C(C[C@@H](c1ccsc1)n1cccc1)NCCCc1nnc2ccccn21 ZINC000524733212 570768450 /nfs/dbraw/zinc/76/84/50/570768450.db2.gz GGHHDXLXZGVWNC-KRWDZBQOSA-N 0 0 379.489 3.321 50 0 GGAARN Cc1cc2c(c(=O)n1C)[C@H](c1ccc(OCc3ccccn3)cc1)CC(=O)O2 ZINC000524733437 570768524 /nfs/dbraw/zinc/76/85/24/570768524.db2.gz RLUMCWDCOXDVQM-SFHVURJKSA-N 0 0 376.412 3.109 50 0 GGAARN C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCc1ccc(Cl)cc1 ZINC000524734421 570771133 /nfs/dbraw/zinc/77/11/33/570771133.db2.gz DIMKBGFQCIDHJY-CDXJDZJCSA-N 0 0 384.863 3.109 50 0 GGAARN CC(C)[C@H](NC(=O)CC1(Cn2cnnn2)CCCCC1)c1nc2ccccc2[nH]1 ZINC000524733862 570772755 /nfs/dbraw/zinc/77/27/55/570772755.db2.gz WHCXRCVXQMVOSG-IBGZPJMESA-N 0 0 395.511 3.404 50 0 GGAARN COc1ccc2c(ccn2CC(=O)N[C@@H]2CCc3cc(OC)c(OC)cc32)c1 ZINC000524734049 570773261 /nfs/dbraw/zinc/77/32/61/570773261.db2.gz QWUFZXPGEYBCOJ-GOSISDBHSA-N 0 0 380.444 3.471 50 0 GGAARN Cc1cc(=O)c(OCC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)c[nH]1 ZINC000524735492 570774063 /nfs/dbraw/zinc/77/40/63/570774063.db2.gz FSWRPUBLBJLRQK-UHFFFAOYSA-N 0 0 380.429 3.306 50 0 GGAARN Cc1cc(=O)c(OCC(=O)N[C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)c[nH]1 ZINC000524735440 570774087 /nfs/dbraw/zinc/77/40/87/570774087.db2.gz CPFAGZRBJHZQED-INIZCTEOSA-N 0 0 385.851 3.391 50 0 GGAARN CCc1nnc(SCC(=O)Nc2cccc(NC(C)=O)c2)n1CC(C)C ZINC000009095827 570774451 /nfs/dbraw/zinc/77/44/51/570774451.db2.gz VGIYJBOSHDJGEM-UHFFFAOYSA-N 0 0 375.498 3.186 50 0 GGAARN O=C(Cc1ccc(F)cc1)N(CCN1CCOCC1)c1nc2ccccc2s1 ZINC000022998187 570775198 /nfs/dbraw/zinc/77/51/98/570775198.db2.gz UADWGJFHSCIATB-UHFFFAOYSA-N 0 0 399.491 3.343 50 0 GGAARN O=C(c1ccco1)N(CCCN1CCOCC1)c1nc2c(cccc2F)s1 ZINC000022997451 570775716 /nfs/dbraw/zinc/77/57/16/570775716.db2.gz AKRPRRKXQQDALT-UHFFFAOYSA-N 0 0 389.452 3.398 50 0 GGAARN CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCN(C)C2 ZINC000006403657 570775750 /nfs/dbraw/zinc/77/57/50/570775750.db2.gz IOFWFQVFLRTZSK-UHFFFAOYSA-N 0 0 389.546 3.399 50 0 GGAARN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)N1CCC[C@@H]1C1CCCC1 ZINC000098030210 570776207 /nfs/dbraw/zinc/77/62/07/570776207.db2.gz IWBAOTOSHOQQKO-LJQANCHMSA-N 0 0 391.537 3.108 50 0 GGAARN COc1ccc(N2C(=O)C[C@H](N(Cc3ccc(Cl)cc3)C(C)=O)C2=O)cc1 ZINC000100851848 570776689 /nfs/dbraw/zinc/77/66/89/570776689.db2.gz 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570779184 /nfs/dbraw/zinc/77/91/84/570779184.db2.gz OYAFIEJUVBVCPL-DQRAZIAOSA-N 0 0 393.468 3.251 50 0 GGAARN COc1cc([C@@H]2CC(c3ccc(F)cc3)=Nc3ncnn32)cc(OC)c1OC ZINC000100892692 570779439 /nfs/dbraw/zinc/77/94/39/570779439.db2.gz MBHNZPOOCKYIDR-INIZCTEOSA-N 0 0 382.395 3.499 50 0 GGAARN COC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1cccc(OC)c1 ZINC000100910584 570779765 /nfs/dbraw/zinc/77/97/65/570779765.db2.gz UPFCKKJVXCXXKR-MRCUWXFGSA-N 0 0 384.457 3.242 50 0 GGAARN COc1cc(C(=O)/N=c2\sc3cccc(F)c3n2C)cc(OC)c1OC ZINC000100909243 570779834 /nfs/dbraw/zinc/77/98/34/570779834.db2.gz QCECOIBWUKMAFL-ZZEZOPTASA-N 0 0 376.409 3.146 50 0 GGAARN COC(=O)Cn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccccc1OC ZINC000100910693 570779915 /nfs/dbraw/zinc/77/99/15/570779915.db2.gz ONFJDALRTQFSDD-MRCUWXFGSA-N 0 0 384.457 3.242 50 0 GGAARN CC(C)c1cc(=O)n(CC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cn1 ZINC000036652404 570780662 /nfs/dbraw/zinc/78/06/62/570780662.db2.gz NIVHVTXCMRYCBX-UHFFFAOYSA-N 0 0 393.472 3.382 50 0 GGAARN O=C1C2C(c3ncc(C(F)(F)F)cc3Cl)=NO[C@@H]2C(=O)N1c1ccccc1 ZINC000100918472 570780909 /nfs/dbraw/zinc/78/09/09/570780909.db2.gz HFRMRSDLOYOVHX-FZMZJTMJSA-N 0 0 395.724 3.046 50 0 GGAARN O=C1C2C(c3ncc(C(F)(F)F)cc3Cl)=NO[C@@H]2C(=O)N1c1ccccc1 ZINC000100918473 570780985 /nfs/dbraw/zinc/78/09/85/570780985.db2.gz HFRMRSDLOYOVHX-RISCZKNCSA-N 0 0 395.724 3.046 50 0 GGAARN CCCNC(=O)C(=O)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067559790 570781363 /nfs/dbraw/zinc/78/13/63/570781363.db2.gz VLMARCVGHKVMMO-UHFFFAOYSA-N 0 0 389.455 3.420 50 0 GGAARN CC1CCN(c2nc3c(cnn3-c3ccc(F)cc3)c(N3CCOCC3)n2)CC1 ZINC000036656931 570781431 /nfs/dbraw/zinc/78/14/31/570781431.db2.gz XISJFGQBMFESMD-UHFFFAOYSA-N 0 0 396.470 3.028 50 0 GGAARN CCCCNC(=O)CN(C)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 ZINC000067562931 570782054 /nfs/dbraw/zinc/78/20/54/570782054.db2.gz DCWDNZPHVGFPRI-UHFFFAOYSA-N 0 0 388.468 3.190 50 0 GGAARN Cc1ccccc1N1CCN(c2ncccc2CNC(=O)NC(C)(C)C)CC1 ZINC000067586983 570782165 /nfs/dbraw/zinc/78/21/65/570782165.db2.gz STFRKGMZNOPEAN-UHFFFAOYSA-N 0 0 381.524 3.314 50 0 GGAARN CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000007063642 570782257 /nfs/dbraw/zinc/78/22/57/570782257.db2.gz PAKWYPRSQAYWAF-INIZCTEOSA-N 0 0 393.443 3.093 50 0 GGAARN O=C(Cc1noc2ccccc12)NCc1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000036662267 570783076 /nfs/dbraw/zinc/78/30/76/570783076.db2.gz BIRKVPTUGREXJI-UHFFFAOYSA-N 0 0 391.383 3.113 50 0 GGAARN CCOc1ncccc1C(=O)NCc1cc(-c2ccc3c(c2)C[C@H](C)O3)on1 ZINC000036662337 570783273 /nfs/dbraw/zinc/78/32/73/570783273.db2.gz WPIMVIJHCZQVGJ-ZDUSSCGKSA-N 0 0 379.416 3.389 50 0 GGAARN O=C(NCc1cc(-c2cccs2)on1)c1ccccc1S(=O)(=O)C(F)F ZINC000036662421 570783332 /nfs/dbraw/zinc/78/33/32/570783332.db2.gz HTABLSSDYNAOAY-UHFFFAOYSA-N 0 0 398.412 3.329 50 0 GGAARN O=C(CSc1nnnn1-c1ccccc1)NCCC12CC3CC(CC(C3)C1)C2 ZINC000004451455 570783786 /nfs/dbraw/zinc/78/37/86/570783786.db2.gz JKBPNMQKPUTNGD-UHFFFAOYSA-N 0 0 397.548 3.477 50 0 GGAARN C[C@]12CCC[C@@H]1[C@@H]1[C@H]([C@H](O)C2)[C@@]2(C)CCC3(C[C@@H]2CC12OCCO2)OCCO3 ZINC000257349185 570784992 /nfs/dbraw/zinc/78/49/92/570784992.db2.gz MIQDVWPHXYCSDP-MPHXHSQOSA-N 0 0 392.536 3.486 50 0 GGAARN CC(=O)O[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@@H]2C[C@H](O)[C@@]3(C)[C@H](C(C)=O)CC[C@@H]3[C@@H]12 ZINC000257347226 570785079 /nfs/dbraw/zinc/78/50/79/570785079.db2.gz AQMQTKMQJVTIRC-KVFIFRFSSA-N 0 0 392.536 3.108 50 0 GGAARN Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)n3Cc3ccc(C)cc3)CC2)s1 ZINC000169770266 570785333 /nfs/dbraw/zinc/78/53/33/570785333.db2.gz MJQWJSROWNWIFM-UHFFFAOYSA-N 0 0 396.516 3.318 50 0 GGAARN O=C(c1ccc2ccccc2n1)N1CCC(c2n[nH]c(=O)n2-c2ccccc2)CC1 ZINC000169780197 570785650 /nfs/dbraw/zinc/78/56/50/570785650.db2.gz HHZORVUZMIUXLW-UHFFFAOYSA-N 0 0 399.454 3.129 50 0 GGAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@H]3[C@H]4CC[C@@](O)(C(C)=O)[C@]4(C)CC(=O)[C@@H]32)C1 ZINC000257358101 570785819 /nfs/dbraw/zinc/78/58/19/570785819.db2.gz RSBZZVJLNTXCGU-DKFFRVDASA-N 0 0 390.520 3.460 50 0 GGAARN COc1cc2s/c(=N\C(=O)c3cccc(OC)c3OC)n(C)c2cc1OC ZINC000101035772 570786928 /nfs/dbraw/zinc/78/69/28/570786928.db2.gz NINAWRBCOMWEJN-VXPUYCOJSA-N 0 0 388.445 3.015 50 0 GGAARN COc1cccc2cc(C(=O)N3CCN(Cc4nc5ccccc5[nH]4)CC3)oc21 ZINC000036705917 570793272 /nfs/dbraw/zinc/79/32/72/570793272.db2.gz JGVYTSQJIVLHDJ-UHFFFAOYSA-N 0 0 390.443 3.276 50 0 GGAARN COCCOc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccn1 ZINC000182718338 570793282 /nfs/dbraw/zinc/79/32/82/570793282.db2.gz FCGDPCHALPQJPM-UHFFFAOYSA-N 0 0 389.883 3.031 50 0 GGAARN Cc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccn3)CC2)cc1 ZINC000004476876 570795098 /nfs/dbraw/zinc/79/50/98/570795098.db2.gz RLWHYIQRXSPECM-HXUWFJFHSA-N 0 0 391.523 3.043 50 0 GGAARN Cc1ccc(S(=O)(=O)NCCCCN2CCO[C@@H](c3ccccc3)C2)s1 ZINC000036700418 570795841 /nfs/dbraw/zinc/79/58/41/570795841.db2.gz ZURIQPNRKMFBOF-GOSISDBHSA-N 0 0 394.562 3.189 50 0 GGAARN CCOC(=O)Cc1csc(NC(=O)Cn2c3ccccc3c3c2CCC3)n1 ZINC000036708643 570797472 /nfs/dbraw/zinc/79/74/72/570797472.db2.gz 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570799606 /nfs/dbraw/zinc/79/96/06/570799606.db2.gz LEIKEFBVEFMSHR-UHFFFAOYSA-N 0 0 391.859 3.491 50 0 GGAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccc(F)c2)n1N ZINC000005676103 570799636 /nfs/dbraw/zinc/79/96/36/570799636.db2.gz NNQWPMKJIOROEH-UHFFFAOYSA-N 0 0 391.859 3.491 50 0 GGAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2cccc(F)c2)n1N ZINC000005676160 570799656 /nfs/dbraw/zinc/79/96/56/570799656.db2.gz ZPBQVRPJIOHRIG-CQSZACIVSA-N 0 0 399.495 3.028 50 0 GGAARN Cc1cccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3C)c2=O)c1C ZINC000004479013 570800735 /nfs/dbraw/zinc/80/07/35/570800735.db2.gz JAYJNNAZPVCWRE-UHFFFAOYSA-N 0 0 387.443 3.146 50 0 GGAARN O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)Nc1ccccc1F ZINC000004479114 570801210 /nfs/dbraw/zinc/80/12/10/570801210.db2.gz OIBVVYIEWCLSDP-UHFFFAOYSA-N 0 0 397.797 3.013 50 0 GGAARN Cc1ccccc1-n1ncc2c1ncn(CC(=O)c1ccc(Cl)cc1)c2=O ZINC000004479089 570801216 /nfs/dbraw/zinc/80/12/16/570801216.db2.gz UBKSAEDRMYWIAJ-UHFFFAOYSA-N 0 0 378.819 3.427 50 0 GGAARN COc1ccc(C(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)cc1 ZINC000004479155 570801225 /nfs/dbraw/zinc/80/12/25/570801225.db2.gz GFOXRSSTPUUWLQ-UHFFFAOYSA-N 0 0 394.818 3.127 50 0 GGAARN CCCCC(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000004649106 570801868 /nfs/dbraw/zinc/80/18/68/570801868.db2.gz GIUOCUSKAJFTAU-UHFFFAOYSA-N 0 0 383.448 3.007 50 0 GGAARN Cc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1C ZINC000004479716 570802551 /nfs/dbraw/zinc/80/25/51/570802551.db2.gz SLCDFNJXIIFLHY-MRXNPFEDSA-N 0 0 381.432 3.002 50 0 GGAARN Cc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(C)c1 ZINC000004479715 570802648 /nfs/dbraw/zinc/80/26/48/570802648.db2.gz MGCZWGKJLIEXEY-HNNXBMFYSA-N 0 0 381.432 3.002 50 0 GGAARN CN1c2cc(C(=O)NCc3ccc(F)cc3Cl)ccc2C(=O)N2CCC[C@@H]21 ZINC000583649133 570803117 /nfs/dbraw/zinc/80/31/17/570803117.db2.gz ZPHNTYRWCMERMN-GOSISDBHSA-N 0 0 387.842 3.421 50 0 GGAARN COc1ccc([C@@H](O)Cn2cnc(C(=O)Nc3cccc(C(C)C)c3)n2)cc1 ZINC000583649154 570803336 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COc1cc(=O)n2c(c1C(=O)NCc1ccc(F)cc1Cl)CCCCC2 ZINC000583648820 570804547 /nfs/dbraw/zinc/80/45/47/570804547.db2.gz VWOSOFJZVQVRIQ-UHFFFAOYSA-N 0 0 378.831 3.306 50 0 GGAARN CC(C)NC(=S)NN=c1[nH]c2c(-c3ccccc3)nnn2c2ccccc21 ZINC000004483432 570804788 /nfs/dbraw/zinc/80/47/88/570804788.db2.gz WORXEEPCNBWBAF-UHFFFAOYSA-N 0 0 377.477 3.144 50 0 GGAARN Cc1sc(-n2cnnn2)c(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c1C ZINC000583652481 570805273 /nfs/dbraw/zinc/80/52/73/570805273.db2.gz MTUGXVPHCDCVPB-MRXNPFEDSA-N 0 0 395.492 3.344 50 0 GGAARN O=C1N(Cc2c(F)cccc2Cl)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 ZINC000004484234 570805447 /nfs/dbraw/zinc/80/54/47/570805447.db2.gz QVELSQQXWYTYOP-DLBZAZTESA-N 0 0 394.855 3.087 50 0 GGAARN Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc2c(c1)OCCCO2 ZINC000033087487 570808583 /nfs/dbraw/zinc/80/85/83/570808583.db2.gz DIFUKWDQSRZYNV-UHFFFAOYSA-N 0 0 396.472 3.374 50 0 GGAARN COC(=O)c1ccc(C(=O)N2CC[C@@H](c3noc(-c4ccccc4)n3)C2)cc1 ZINC000238871741 570809128 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Cc1nc(-n2cccc2)sc1C(=O)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC000238883446 570810646 /nfs/dbraw/zinc/81/06/46/570810646.db2.gz PQNPQAOHSDVZHJ-JTQLQIEISA-N 0 0 397.382 3.274 50 0 GGAARN O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1cc2ccccc2oc1=O ZINC000238865883 570811006 /nfs/dbraw/zinc/81/10/06/570811006.db2.gz LTPJHFSNQYFBNP-FQEVSTJZSA-N 0 0 381.409 3.113 50 0 GGAARN COc1ccc(CNC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1OC ZINC000005979429 570811072 /nfs/dbraw/zinc/81/10/72/570811072.db2.gz FHJJLAFEIWZPKE-UHFFFAOYSA-N 0 0 397.349 3.196 50 0 GGAARN O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1cc2ccccc2oc1=O ZINC000238865884 570811066 /nfs/dbraw/zinc/81/10/66/570811066.db2.gz LTPJHFSNQYFBNP-HXUWFJFHSA-N 0 0 381.409 3.113 50 0 GGAARN COc1ccc(NC(=O)COC(=O)c2cccc(OC)c2OC)cc1Cl ZINC000007181893 570811730 /nfs/dbraw/zinc/81/17/30/570811730.db2.gz RTECMTYRECFVKV-UHFFFAOYSA-N 0 0 379.796 3.161 50 0 GGAARN Cc1nn(CCNS(=O)(=O)c2ccc(F)c(F)c2)c(C)c1-c1ccccc1 ZINC000238902224 570812540 /nfs/dbraw/zinc/81/25/40/570812540.db2.gz 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570824768 /nfs/dbraw/zinc/82/47/68/570824768.db2.gz LUUUWFXHNAXJND-UHFFFAOYSA-N 0 0 385.445 3.156 50 0 GGAARN CCOc1ccc(-n2nnc(C(=O)Nc3nnc(SCC)s3)c2C)cc1 ZINC000004511653 570825724 /nfs/dbraw/zinc/82/57/24/570825724.db2.gz HGBDRWUGXABRSB-UHFFFAOYSA-N 0 0 390.494 3.190 50 0 GGAARN Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(OC(C)C)cc3)C2=O)c1 ZINC000004679591 570825783 /nfs/dbraw/zinc/82/57/83/570825783.db2.gz OKZZCYCYHCJFLX-UNOMPAQXSA-N 0 0 393.443 3.314 50 0 GGAARN CC1CCN(C(=O)[C@H](C(=O)c2ccc(F)cc2)n2cc(Cl)ccc2=O)CC1 ZINC000004680080 570825834 /nfs/dbraw/zinc/82/58/34/570825834.db2.gz ZBCZTDVYILHHJY-SFHVURJKSA-N 0 0 390.842 3.323 50 0 GGAARN O=C(c1ccc(F)cc1)[C@H](C(=O)N1CCCCC1)n1cc(Cl)ccc1=O ZINC000004679675 570825935 /nfs/dbraw/zinc/82/59/35/570825935.db2.gz MIDRGTSDVGZZFW-QGZVFWFLSA-N 0 0 376.815 3.077 50 0 GGAARN C[C@H](CCc1ccccc1)NC(=O)CCCC(=O)NCc1ccc2c(c1)OCO2 ZINC000004679667 570826002 /nfs/dbraw/zinc/82/60/02/570826002.db2.gz LLSAGTRCZOWGGW-QGZVFWFLSA-N 0 0 396.487 3.339 50 0 GGAARN O=C1C[C@H](N2CCc3c4ccccc4[nH]c3C2)C(=O)N1c1ccc(F)c(F)c1 ZINC000101628980 570827357 /nfs/dbraw/zinc/82/73/57/570827357.db2.gz OXJYCZVLHPWKPJ-IBGZPJMESA-N 0 0 381.382 3.136 50 0 GGAARN COc1cc([C@@H]2c3c(nc(N)[nH]c3=O)N=C3c4ccccc4C(=O)C32)ccc1O ZINC000101642125 570828103 /nfs/dbraw/zinc/82/81/03/570828103.db2.gz FHBIVFMULRTDGU-AWEZNQCLSA-N 0 0 388.383 3.028 50 0 GGAARN COc1cc([C@H]2c3c(nc(N)[nH]c3=O)N=C3c4ccccc4C(=O)C32)ccc1O ZINC000101642127 570828152 /nfs/dbraw/zinc/82/81/52/570828152.db2.gz FHBIVFMULRTDGU-CQSZACIVSA-N 0 0 388.383 3.028 50 0 GGAARN Cc1ccc(CN2C(=O)S/C(=C/c3ccccc3OCC(N)=O)C2=O)cc1 ZINC000004680688 570828960 /nfs/dbraw/zinc/82/89/60/570828960.db2.gz UGDBOZSUCSQGHC-LICLKQGHSA-N 0 0 382.441 3.096 50 0 GGAARN COC(=O)[C@@](NC(=O)NCCc1ccccc1)(Oc1ccccc1)C(F)(F)F ZINC000004686441 570830573 /nfs/dbraw/zinc/83/05/73/570830573.db2.gz ZCSRDJSGBDNZOM-GOSISDBHSA-N 0 0 396.365 3.039 50 0 GGAARN COc1ccc([C@@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)OC3)c(OC)c1OC ZINC000004519962 570830548 /nfs/dbraw/zinc/83/05/48/570830548.db2.gz PCPMJHVAGSGKEO-HNNXBMFYSA-N 0 0 395.411 3.044 50 0 GGAARN CC(C)OC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1 ZINC000004520426 570830622 /nfs/dbraw/zinc/83/06/22/570830622.db2.gz LZLHGZXBNDZGPU-UHFFFAOYSA-N 0 0 399.838 3.197 50 0 GGAARN COc1cc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)ccc1O ZINC000004519943 570830713 /nfs/dbraw/zinc/83/07/13/570830713.db2.gz NTWJBBGKRMWDAD-AWEZNQCLSA-N 0 0 385.803 3.386 50 0 GGAARN Cc1cc(C)c(-c2nnc(NC(=O)[C@H](C)Sc3nncn3C)s2)c(C)c1 ZINC000007347911 570832344 /nfs/dbraw/zinc/83/23/44/570832344.db2.gz FKDXCHKNXIPIAT-LBPRGKRZSA-N 0 0 388.522 3.378 50 0 GGAARN C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1ccc(F)cc1F ZINC000007363824 570834439 /nfs/dbraw/zinc/83/44/39/570834439.db2.gz RTCXSHKFZDMYIF-JTQLQIEISA-N 0 0 375.404 3.275 50 0 GGAARN O=C(Nc1ccncc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000007367049 570834690 /nfs/dbraw/zinc/83/46/90/570834690.db2.gz IBXBEBWAEIVBSG-UHFFFAOYSA-N 0 0 395.484 3.274 50 0 GGAARN 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CC[C@@H]1c2ccsc2CCN1C(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O ZINC000127326338 570946452 /nfs/dbraw/zinc/94/64/52/570946452.db2.gz GZVUJTROTCLKKB-MRXNPFEDSA-N 0 0 398.532 3.409 50 0 GGAARN CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1ccco1 ZINC000002368730 570947170 /nfs/dbraw/zinc/94/71/70/570947170.db2.gz STNVVRKBWOZDTH-UHFFFAOYSA-N 0 0 388.449 3.306 50 0 GGAARN CCOC(=O)c1ccc(Nc2nnc3[nH]c(=O)c4c(C)c(C)sc4n23)cc1 ZINC000005444403 570947441 /nfs/dbraw/zinc/94/74/41/570947441.db2.gz MYWPFFIXIGKNKP-UHFFFAOYSA-N 0 0 383.433 3.169 50 0 GGAARN Cc1ccc(OCc2nnc(SCC(=O)Nc3nccs3)n2C)c(C)c1 ZINC000004735888 570950318 /nfs/dbraw/zinc/95/03/18/570950318.db2.gz JKFAWRDGZCNPSF-UHFFFAOYSA-N 0 0 389.506 3.198 50 0 GGAARN CCn1c(S[C@@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1ccc(F)cc1 ZINC000004736169 570950372 /nfs/dbraw/zinc/95/03/72/570950372.db2.gz QRLQGFYRXNOWJK-VIFPVBQESA-N 0 0 392.485 3.383 50 0 GGAARN Cc1c(O)ccc2c(C)c(CCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(=O)oc12 ZINC000002112188 570950586 /nfs/dbraw/zinc/95/05/86/570950586.db2.gz BPXMFZBVPOADGH-WAIKUNEKSA-N 0 0 399.487 3.202 50 0 biogenic GGAARN CCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c12 ZINC000002111349 570950720 /nfs/dbraw/zinc/95/07/20/570950720.db2.gz XKWCSUSRWWYRJZ-UZUQRXQVSA-N 0 0 399.487 3.196 50 0 biogenic GGAARN O=C(OCCn1cncn1)[C@H](NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000585138576 570951108 /nfs/dbraw/zinc/95/11/08/570951108.db2.gz GNVAYXJUFHKFKJ-GFCCVEGCSA-N 0 0 397.184 3.021 50 0 GGAARN COC(=O)[C@@H](CC(C)C)NC(=O)CSc1nc(-c2ccccc2)c(C)[nH]1 ZINC000004736591 570951795 /nfs/dbraw/zinc/95/17/95/570951795.db2.gz XTIUKNYPVRSMQB-OAHLLOKOSA-N 0 0 375.494 3.181 50 0 GGAARN CC[C@H](C(=O)NC[C@H](C)Cn1nccc1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607684 570951925 /nfs/dbraw/zinc/95/19/25/570951925.db2.gz BALMOAFKIUZZDS-SWLSCSKDSA-N 0 0 397.445 3.299 50 0 GGAARN CC[C@H](C(=O)NC[C@@H](C)Cn1nccc1C)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607682 570952122 /nfs/dbraw/zinc/95/21/22/570952122.db2.gz BALMOAFKIUZZDS-IUODEOHRSA-N 0 0 397.445 3.299 50 0 GGAARN Cc1ccc([C@H]2Cn3nnc(C(=O)NCc4cc(F)cc(F)c4)c3CO2)cc1 ZINC000263615030 570952307 /nfs/dbraw/zinc/95/23/07/570952307.db2.gz AFJFQMQZKAASTL-GOSISDBHSA-N 0 0 384.386 3.066 50 0 GGAARN COc1ccc([C@@H]2Cn3nnc(C(=O)Nc4cc(C)ccc4OC)c3CO2)cc1 ZINC000263615155 570952743 /nfs/dbraw/zinc/95/27/43/570952743.db2.gz AXASTEHIJURUFK-IBGZPJMESA-N 0 0 394.431 3.128 50 0 GGAARN CCOc1ccc([C@H](O)Cn2ccn3nc(-c4cccs4)cc3c2=O)cc1 ZINC000263615271 570953031 /nfs/dbraw/zinc/95/30/31/570953031.db2.gz BNQLGWKTETURQA-GOSISDBHSA-N 0 0 381.457 3.357 50 0 GGAARN COc1ccc([C@H]2Cn3cnc(-c4nc(-c5cccnc5)no4)c3CO2)cc1 ZINC000263615232 570953162 /nfs/dbraw/zinc/95/31/62/570953162.db2.gz BHRDQIZOAUBCPW-QGZVFWFLSA-N 0 0 375.388 3.275 50 0 GGAARN Cc1nnc2sc(-c3cccc(NC(=O)COc4ccc(C)cc4)c3)nn12 ZINC000004739347 570953453 /nfs/dbraw/zinc/95/34/53/570953453.db2.gz FSGWJGINWFFQHR-UHFFFAOYSA-N 0 0 379.445 3.487 50 0 GGAARN CCCCc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000004741052 570955755 /nfs/dbraw/zinc/95/57/55/570955755.db2.gz WRBKFJPJSUKTMM-UHFFFAOYSA-N 0 0 390.505 3.443 50 0 GGAARN CN1CCO[C@@H](CNC(=O)c2oc3ccccc3c2COc2ccccc2)C1 ZINC000194615634 570956565 /nfs/dbraw/zinc/95/65/65/570956565.db2.gz ILASOISGBZVMET-KRWDZBQOSA-N 0 0 380.444 3.072 50 0 GGAARN COc1ccc2c(C)c(CC(=O)NCCc3ccc(F)cc3)c(=O)oc2c1OC ZINC000004743121 570956800 /nfs/dbraw/zinc/95/68/00/570956800.db2.gz BEMPCHNAIATQFC-UHFFFAOYSA-N 0 0 399.418 3.159 50 0 GGAARN COc1ccc2c(C)c(CC(=O)NCc3ccc(F)cc3)c(=O)oc2c1OC ZINC000004743082 570956896 /nfs/dbraw/zinc/95/68/96/570956896.db2.gz ZFEGCTQGEDRSOA-UHFFFAOYSA-N 0 0 385.391 3.117 50 0 GGAARN COc1ccccc1CCNC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O ZINC000004742768 570956925 /nfs/dbraw/zinc/95/69/25/570956925.db2.gz KDKPMKPEKUWXNN-UHFFFAOYSA-N 0 0 381.428 3.025 50 0 GGAARN Cc1c(O)ccc2c(C)c(CCC(=O)NCc3ccc4c(c3)OCO4)c(=O)oc12 ZINC000004743401 570957491 /nfs/dbraw/zinc/95/74/91/570957491.db2.gz HOTQRVYVYHZIGN-UHFFFAOYSA-N 0 0 395.411 3.093 50 0 GGAARN O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2coc3ccc(F)cc3c2=O)[NH2+]1 ZINC000002126389 570958078 /nfs/dbraw/zinc/95/80/78/570958078.db2.gz OWGOLIXIYLAQGD-LPHOPBHVSA-N 0 0 378.359 3.102 50 0 biogenic GGAARN O=C(NCc1ccccn1)C1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000033290409 570958155 /nfs/dbraw/zinc/95/81/55/570958155.db2.gz WPWXRPCZIWANIY-UHFFFAOYSA-N 0 0 387.443 3.304 50 0 GGAARN COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(OC)nn2)c1 ZINC000032100170 570959809 /nfs/dbraw/zinc/95/98/09/570959809.db2.gz KIIYKCXFIVFGLM-AWEZNQCLSA-N 0 0 395.419 3.120 50 0 GGAARN C[C@@H](Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1ccccc1 ZINC000004745532 570960341 /nfs/dbraw/zinc/96/03/41/570960341.db2.gz NWKSLLSPVKUELD-OAHLLOKOSA-N 0 0 394.500 3.188 50 0 GGAARN O=c1c2ccccc2nnn1COc1cccc(-c2cnc3ccccc3n2)c1 ZINC000004745292 570960357 /nfs/dbraw/zinc/96/03/57/570960357.db2.gz RPGWNYDLMGGCHJ-UHFFFAOYSA-N 0 0 381.395 3.438 50 0 GGAARN Cc1c(-c2ccccc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc2c(c1)OCO2 ZINC000032104218 570960401 /nfs/dbraw/zinc/96/04/01/570960401.db2.gz HOJAYAKYIYRPTI-OAHLLOKOSA-N 0 0 390.399 3.109 50 0 GGAARN COCCCN1C(=O)c2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc2C1=O ZINC000032103635 570960509 /nfs/dbraw/zinc/96/05/09/570960509.db2.gz SSNQVPJHWVNLCH-UHFFFAOYSA-N 0 0 377.400 3.053 50 0 GGAARN OCC[C@H]1CN(Cc2ccc(F)cc2F)CCN1Cc1ccc(F)c(F)c1 ZINC000019222093 570963195 /nfs/dbraw/zinc/96/31/95/570963195.db2.gz FLENFTYGNOQAIL-KRWDZBQOSA-N 0 0 382.401 3.312 50 0 GGAARN COc1cc2c(cc1OC)-c1c(c(C(=O)N(C)Cc3ccccc3)nn1C)C2 ZINC000032123926 570963217 /nfs/dbraw/zinc/96/32/17/570963217.db2.gz FXAWJTRTSSCNPE-UHFFFAOYSA-N 0 0 377.444 3.281 50 0 biogenic GGAARN OCC[C@@H]1CN(Cc2ccc(F)cc2F)CCN1Cc1ccc(F)c(F)c1 ZINC000019222090 570963223 /nfs/dbraw/zinc/96/32/23/570963223.db2.gz FLENFTYGNOQAIL-QGZVFWFLSA-N 0 0 382.401 3.312 50 0 GGAARN Fc1cccc(Cn2[nH]cc3nc(-c4cccc(CN5CCOCC5)c4)nc2-3)c1 ZINC000019221590 570963466 /nfs/dbraw/zinc/96/34/66/570963466.db2.gz QDWOHEZERCJSGJ-UHFFFAOYSA-N 0 0 391.450 3.446 50 0 GGAARN Cc1ccc(C(O)=C2[C@@H](c3cccs3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000004144266 570964011 /nfs/dbraw/zinc/96/40/11/570964011.db2.gz UCMYEYOMPOHFNP-WOSRLPQWSA-N 0 0 384.379 3.160 50 0 GGAARN CCCCNC(=O)c1c(CO)cc(C)nc1SCC(=O)Nc1ccccc1 ZINC000004751829 570964129 /nfs/dbraw/zinc/96/41/29/570964129.db2.gz ZMLVGWMKUQUCOT-UHFFFAOYSA-N 0 0 387.505 3.143 50 0 GGAARN O=C(Nc1cc[nH]n1)c1ccc([C@@H]2CCCN2C(=O)c2ccncc2F)s1 ZINC000019229010 570964668 /nfs/dbraw/zinc/96/46/68/570964668.db2.gz SWPVZLGUTWCWDV-ZDUSSCGKSA-N 0 0 385.424 3.235 50 0 GGAARN Cc1cccc(N2C(=O)C[C@H](N3CCN(c4ccccc4Cl)CC3)C2=O)c1 ZINC000019235110 570965547 /nfs/dbraw/zinc/96/55/47/570965547.db2.gz XJNWNRJJDRVRBS-IBGZPJMESA-N 0 0 383.879 3.103 50 0 GGAARN O=C(NCC1(Sc2ccccc2)CCOCC1)[C@H]1COc2ccccc2O1 ZINC000211071295 570968065 /nfs/dbraw/zinc/96/80/65/570968065.db2.gz CLTOPSLTOXRONK-LJQANCHMSA-N 0 0 385.485 3.284 50 0 GGAARN O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)NCc1ccc(F)cc1 ZINC000004164178 570968654 /nfs/dbraw/zinc/96/86/54/570968654.db2.gz CEBVPKLRCFGZCS-UHFFFAOYSA-N 0 0 393.447 3.339 50 0 GGAARN CCOc1ccccc1C(=O)N(c1ccc(OC)cc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000004165502 570968984 /nfs/dbraw/zinc/96/89/84/570968984.db2.gz RNBJJNWGALCOBK-MRXNPFEDSA-N 0 0 387.457 3.051 50 0 GGAARN COC(=O)c1cc2nc(Cc3ccccc3)oc2c(NC(=O)[C@@H]2CCOC2)c1 ZINC000004761166 570969554 /nfs/dbraw/zinc/96/95/54/570969554.db2.gz YNWKAMZQRQFNTL-CQSZACIVSA-N 0 0 380.400 3.180 50 0 GGAARN CCOc1ccc(S(=O)(=O)NC[C@@H]2CCCN2c2ccccc2)cc1F ZINC000211121827 570969809 /nfs/dbraw/zinc/96/98/09/570969809.db2.gz KYGAIBOIBZFBGY-INIZCTEOSA-N 0 0 378.469 3.172 50 0 GGAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2[nH]1 ZINC000252487879 570969887 /nfs/dbraw/zinc/96/98/87/570969887.db2.gz IDCHJUYFGUFMKT-QGZVFWFLSA-N 0 0 395.854 3.319 50 0 GGAARN Cc1ccc(NC(=O)CSc2ncnc3c2nnn3-c2ccc(F)cc2)cc1 ZINC000004166659 570970115 /nfs/dbraw/zinc/97/01/15/570970115.db2.gz QCOADTGRQKQBEN-UHFFFAOYSA-N 0 0 394.435 3.389 50 0 GGAARN O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)Nc1ccccc1 ZINC000004166656 570970125 /nfs/dbraw/zinc/97/01/25/570970125.db2.gz PMIBZCKDGZWRNY-UHFFFAOYSA-N 0 0 380.408 3.080 50 0 GGAARN Cc1ccc(-n2nnc3c2ncnc3SCC(=O)Nc2ccccc2)cc1 ZINC000004166591 570970174 /nfs/dbraw/zinc/97/01/74/570970174.db2.gz PZVKKZXNNRLILE-UHFFFAOYSA-N 0 0 376.445 3.250 50 0 GGAARN CC1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)CC1 ZINC000004762723 570970424 /nfs/dbraw/zinc/97/04/24/570970424.db2.gz PQAADVHRLKJNJT-CNBHCMJISA-N 0 0 379.504 3.252 50 0 GGAARN COc1ccc(CN2CC(=O)N3[C@H](C)c4[nH]c5ccccc5c4C[C@H]3C2=O)cc1 ZINC000002155014 570973571 /nfs/dbraw/zinc/97/35/71/570973571.db2.gz FKLAXTMGRBKEBZ-VLIAUNLRSA-N 0 0 389.455 3.033 50 0 biogenic GGAARN O=C(CCc1ccccc1)Nc1nnc(SCC(=O)NC2CCCC2)s1 ZINC000001381438 570973944 /nfs/dbraw/zinc/97/39/44/570973944.db2.gz KFVWCYNMUAXLAC-UHFFFAOYSA-N 0 0 390.534 3.260 50 0 GGAARN Cc1ncc2c(c1-c1noc(C3CCCC3)n1)CCN(C(=O)c1cn[nH]c1)C2 ZINC000019300934 570974154 /nfs/dbraw/zinc/97/41/54/570974154.db2.gz HKWAFZKMCDIUEW-UHFFFAOYSA-N 0 0 378.436 3.019 50 0 GGAARN CCc1ccc2nc(NC3=NCN(Cc4ccc(OC)cc4)CN3)nc(C)c2c1 ZINC000019322408 570974579 /nfs/dbraw/zinc/97/45/79/570974579.db2.gz IISNSLCFFPDHPM-UHFFFAOYSA-N 0 0 390.491 3.298 50 0 GGAARN O=C(CCS(=O)(=O)c1ccccc1)NC[C@@H](c1ccco1)c1cccs1 ZINC000585146686 570975903 /nfs/dbraw/zinc/97/59/03/570975903.db2.gz CELGXFNTKHMHHG-INIZCTEOSA-N 0 0 389.498 3.453 50 0 GGAARN Cn1ccnc1-c1cccc(-c2ccn(CC(=O)Nc3nc4ccccc4[nH]3)n2)c1 ZINC000019334472 570975957 /nfs/dbraw/zinc/97/59/57/570975957.db2.gz RCXQTKWDTZMXNN-UHFFFAOYSA-N 0 0 397.442 3.466 50 0 GGAARN CC(=O)Nc1ccc(CC(=O)N2CC[C@H](Oc3cccc4cccnc43)C2)cc1 ZINC000252496637 570976108 /nfs/dbraw/zinc/97/61/08/570976108.db2.gz PNPFDPLVOBLYOZ-FQEVSTJZSA-N 0 0 389.455 3.416 50 0 GGAARN O=C(N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1ccc2nsnc2c1 ZINC000585146962 570976765 /nfs/dbraw/zinc/97/67/65/570976765.db2.gz OOYTUCKJGQXYRC-GFCCVEGCSA-N 0 0 393.394 3.114 50 0 GGAARN CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000252505805 570977837 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ZINC000003441085 1398347300 /nfs/dbraw/zinc/34/73/00/1398347300.db2.gz XCUAFXCAAIHQHX-UHFFFAOYSA-N 0 0 385.423 3.315 50 0 GGAARN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)C2=O ZINC000003458073 1398350426 /nfs/dbraw/zinc/35/04/26/1398350426.db2.gz FZZNHVSSMKYECJ-UHFFFAOYSA-N 0 0 383.370 3.145 50 0 GGAARN COc1cc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc(OC)c1OC ZINC000003999942 1398375820 /nfs/dbraw/zinc/37/58/20/1398375820.db2.gz BALTZXMGFRLVIO-BREAQWACSA-N 0 0 394.471 3.350 50 0 biogenic GGAARN CCOC(=O)C1=C(N)Oc2c3cccc(C)c3[nH]c(=O)c2[C@H]1c1ccccc1 ZINC000003984389 1398376012 /nfs/dbraw/zinc/37/60/12/1398376012.db2.gz AIUJDWKWJUGTIA-OAHLLOKOSA-N 0 0 376.412 3.094 50 0 biogenic GGAARN COc1cccc(OC)c1C(=O)NC(=S)N1CCCC[C@H]1c1cccnc1 ZINC000003999752 1398376053 /nfs/dbraw/zinc/37/60/53/1398376053.db2.gz YUCKYAMVMGWKSX-HNNXBMFYSA-N 0 0 385.489 3.341 50 0 biogenic GGAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCCn3ccnc3)c(C)c21 ZINC000003985184 1398376167 /nfs/dbraw/zinc/37/61/67/1398376167.db2.gz 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/nfs/dbraw/zinc/38/07/23/1398380723.db2.gz DOBSUSFABWMXQE-MUUNZHRXSA-N 0 0 399.447 3.425 50 0 GGAARN C[C@@H](Oc1ccccc1)C(=O)Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2 ZINC000004105764 1398381015 /nfs/dbraw/zinc/38/10/15/1398381015.db2.gz SUTNSASDRFYDTB-LOKFHWFJSA-N 0 0 381.457 3.041 50 0 GGAARN COCCn1c(SCC(=O)NC2CCCC2)nnc1-c1c[nH]c2ccccc21 ZINC000004138657 1398381503 /nfs/dbraw/zinc/38/15/03/1398381503.db2.gz UGFADRSWLMKGQS-UHFFFAOYSA-N 0 0 399.520 3.224 50 0 GGAARN O=C(c1cccnc1Cl)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000004122756 1398381526 /nfs/dbraw/zinc/38/15/26/1398381526.db2.gz NGSYOVCALYDVCF-UHFFFAOYSA-N 0 0 391.727 3.393 50 0 GGAARN O=C(COc1ccccc1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000004122760 1398381565 /nfs/dbraw/zinc/38/15/65/1398381565.db2.gz VOVRTVXMRCRKIU-UHFFFAOYSA-N 0 0 386.320 3.110 50 0 GGAARN CCc1nc(SCc2cccc3ccccc32)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004138953 1398381728 /nfs/dbraw/zinc/38/17/28/1398381728.db2.gz CXLKAIQWAUQLAU-UHFFFAOYSA-N 0 0 392.484 3.035 50 0 GGAARN 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COC(=O)c1ccc(CSc2ncnc3c2nnn3Cc2ccccc2F)o1 ZINC000004269055 1398387566 /nfs/dbraw/zinc/38/75/66/1398387566.db2.gz BYWWZMSLNFGSJS-UHFFFAOYSA-N 0 0 399.407 3.081 50 0 GGAARN CC(C)N(C(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)C(C)C ZINC000004271986 1398387780 /nfs/dbraw/zinc/38/77/80/1398387780.db2.gz KJLOWTWDFNJZSN-UHFFFAOYSA-N 0 0 383.492 3.092 50 0 GGAARN CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccc(F)cc2)c2ccccc21 ZINC000004271965 1398388012 /nfs/dbraw/zinc/38/80/12/1398388012.db2.gz ZDQLTWGAEUYWGK-UHFFFAOYSA-N 0 0 395.434 3.470 50 0 GGAARN Cc1ccc(NC(=O)c2cnc(SCc3cccnc3)n(C)c2=O)cc1C ZINC000004272808 1398388099 /nfs/dbraw/zinc/38/80/99/1398388099.db2.gz SADIUGLOFDTDQV-UHFFFAOYSA-N 0 0 380.473 3.337 50 0 GGAARN C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 ZINC000004272060 1398388140 /nfs/dbraw/zinc/38/81/40/1398388140.db2.gz BBZOOCCBALUHPX-APWZRJJASA-N 0 0 395.503 3.141 50 0 GGAARN CCc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1N ZINC000004280266 1398388787 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1398852034 /nfs/dbraw/zinc/85/20/34/1398852034.db2.gz QDPBPLQREWCICM-UHFFFAOYSA-N 0 0 380.429 3.383 50 0 GGAARN Cc1cc(C)nc(-n2nc3[nH]cc4c(c-3c2=O)C[C@H](c2ccccc2C)CC4=O)n1 ZINC000009047140 1398852384 /nfs/dbraw/zinc/85/23/84/1398852384.db2.gz CFYJVPAAVZUFIE-HNNXBMFYSA-N 0 0 399.454 3.342 50 0 GGAARN CCCCNS(=O)(=O)c1ccc2nc(NC(=O)c3ccncc3)sc2c1 ZINC000009089751 1398853781 /nfs/dbraw/zinc/85/37/81/1398853781.db2.gz WWWVDWCLSZDFEL-UHFFFAOYSA-N 0 0 390.490 3.022 50 0 GGAARN COc1cc(C(=O)OCc2cc3cccc(C)c3[nH]c2=O)cc(OC)c1OC ZINC000009185488 1398855047 /nfs/dbraw/zinc/85/50/47/1398855047.db2.gz MPBXLMWBRQXTJP-UHFFFAOYSA-N 0 0 383.400 3.219 50 0 GGAARN Cc1c(C)n(CCO)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 ZINC000009183838 1398855053 /nfs/dbraw/zinc/85/50/53/1398855053.db2.gz NLYWZBIXMJMADJ-UHFFFAOYSA-N 0 0 394.460 3.122 50 0 GGAARN COc1ccc(N2C[C@@H](c3nc(-c4cccc(OC)c4OC)no3)CC2=O)cc1 ZINC000009318408 1398856719 /nfs/dbraw/zinc/85/67/19/1398856719.db2.gz WCGPREGAFVYEBI-ZDUSSCGKSA-N 0 0 395.415 3.283 50 0 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COCC1CCN(C(=O)c2cc(COc3cccc4cnccc43)on2)CC1 ZINC000011814222 1399013752 /nfs/dbraw/zinc/01/37/52/1399013752.db2.gz OCZBEPDJKWCGLN-UHFFFAOYSA-N 0 0 381.432 3.300 50 0 GGAARN O=C(Nc1ccc2c(c1)CN(Cc1nc3ccccc3[nH]1)CC2)[C@@H]1CCCO1 ZINC000011819635 1399014130 /nfs/dbraw/zinc/01/41/30/1399014130.db2.gz PYZDQWFYCLUWNY-FQEVSTJZSA-N 0 0 376.460 3.239 50 0 GGAARN CCOC(=O)C1(Cc2cccc(F)c2)CCN(C(=O)Cc2cccnc2)CC1 ZINC000011821649 1399014409 /nfs/dbraw/zinc/01/44/09/1399014409.db2.gz PGBKPDLKPCYDDL-UHFFFAOYSA-N 0 0 384.451 3.178 50 0 GGAARN COc1cc(C)ccc1OCc1nc(C(=O)N(C)Cc2c(C)nn(C)c2C)co1 ZINC000011838314 1399014999 /nfs/dbraw/zinc/01/49/99/1399014999.db2.gz NKBDMUPACIXOKH-UHFFFAOYSA-N 0 0 398.463 3.193 50 0 GGAARN CCCO[C@H]1CCCN(C(=O)CCc2nnc(-c3ccc(C(C)=O)s3)o2)C1 ZINC000011842324 1399015024 /nfs/dbraw/zinc/01/50/24/1399015024.db2.gz XQJJLLCKWUQCMQ-AWEZNQCLSA-N 0 0 391.493 3.351 50 0 GGAARN Cc1ccc2[nH]c(C(=O)NC[C@H]3CCC4(CCN(C(=O)C5CC5)CC4)O3)cc2c1 ZINC000011838511 1399015061 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O=C(CCc1cccnc1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2=O ZINC000011937967 1399018334 /nfs/dbraw/zinc/01/83/34/1399018334.db2.gz LCHZOGZGEYVLIH-HSZRJFAPSA-N 0 0 395.478 3.195 50 0 GGAARN CC[C@H]1CCCCN1Cc1cnc(S(=O)(=O)CC(C)(C)C)n1CCOC ZINC000011935989 1399018405 /nfs/dbraw/zinc/01/84/05/1399018405.db2.gz AWARWBHYRQMUQL-INIZCTEOSA-N 0 0 385.574 3.114 50 0 GGAARN Cc1nc(NCc2cnn(C)c2)sc1-c1ccn(-c2ccc3c(c2)OCO3)n1 ZINC000011972134 1399021637 /nfs/dbraw/zinc/02/16/37/1399021637.db2.gz MYTIKRFJQRLIKS-UHFFFAOYSA-N 0 0 394.460 3.379 50 0 GGAARN CC(C)N(Cc1cnn(C)c1)C(=O)c1coc(COc2cccc(F)c2F)n1 ZINC000011997288 1399023103 /nfs/dbraw/zinc/02/31/03/1399023103.db2.gz AQHOYOZFTRIQBZ-UHFFFAOYSA-N 0 0 390.390 3.316 50 0 GGAARN Cc1cccc(Cc2nnc(CCC(=O)N(CC3CC3)C[C@@H]3CCCO3)o2)c1 ZINC000012024701 1399024394 /nfs/dbraw/zinc/02/43/94/1399024394.db2.gz COPJJQLQRCIPOM-IBGZPJMESA-N 0 0 383.492 3.319 50 0 GGAARN CCc1cc(C(=O)N2CCC[C@H](CCC(=O)NCc3cccc(OC)c3)C2)no1 ZINC000012049152 1399025304 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Cc1ncsc1CCCNC(=O)c1coc(Cn2cnc3ccccc32)n1 ZINC000012373786 1399039963 /nfs/dbraw/zinc/03/99/63/1399039963.db2.gz RIRKTMJSIGJZNZ-UHFFFAOYSA-N 0 0 381.461 3.200 50 0 GGAARN COc1ccc(CCc2nnc(CCC(=O)N(C)Cc3ccncc3C)o2)cc1 ZINC000012373333 1399040261 /nfs/dbraw/zinc/04/02/61/1399040261.db2.gz MZSRHUXNONORES-UHFFFAOYSA-N 0 0 394.475 3.158 50 0 GGAARN Cc1ccccc1Cn1cc(C(=O)N[C@H](Cn2ccnc2)c2ccccc2)nn1 ZINC000012445715 1399043112 /nfs/dbraw/zinc/04/31/12/1399043112.db2.gz WIQOIBLTSDJVDB-HXUWFJFHSA-N 0 0 386.459 3.003 50 0 GGAARN COc1ccc(OCc2cc(C(=O)N(C)[C@@H](C)c3ccon3)n[nH]2)c(Cl)c1 ZINC000012445967 1399043208 /nfs/dbraw/zinc/04/32/08/1399043208.db2.gz LCAJRIAVHHTWPD-NSHDSACASA-N 0 0 390.827 3.472 50 0 GGAARN O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)N1CCC[C@H]1CO ZINC000012456728 1399043632 /nfs/dbraw/zinc/04/36/32/1399043632.db2.gz FTLMOBFWBFBNDT-FQEVSTJZSA-N 0 0 391.471 3.243 50 0 GGAARN CC[C@@H](COC)Nc1ncnc2sc(C(=O)NCCCSC)c(C)c21 ZINC000012455182 1399043640 /nfs/dbraw/zinc/04/36/40/1399043640.db2.gz 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50 0 GGAARN O=C(Cc1ccsc1)N1CC[C@]2(C1)CCCN(CCc1ccccc1)C2=O ZINC000015064438 1399136098 /nfs/dbraw/zinc/13/60/98/1399136098.db2.gz ZSAZLMMHLIXICA-QFIPXVFZSA-N 0 0 382.529 3.374 50 0 GGAARN CC(C)Cc1cc(CNC(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)on1 ZINC000015074931 1399136760 /nfs/dbraw/zinc/13/67/60/1399136760.db2.gz VPGKQPXZIMOXRH-QGZVFWFLSA-N 0 0 375.513 3.308 50 0 GGAARN CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000016321688 1399230813 /nfs/dbraw/zinc/23/08/13/1399230813.db2.gz WKQCPUMQBMFPLC-ZGIWMXSJSA-N 0 0 388.504 3.238 50 0 GGAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)cc1OC ZINC000016676681 1399256168 /nfs/dbraw/zinc/25/61/68/1399256168.db2.gz JIOQRXZVWJZHGF-CYBMUJFWSA-N 0 0 384.432 3.019 50 0 GGAARN COc1ccc2nc(NC(=O)CN3CCN(c4ccccc4)CC3)sc2c1 ZINC000018172859 1399305478 /nfs/dbraw/zinc/30/54/78/1399305478.db2.gz MIKYHJREQLHZEO-UHFFFAOYSA-N 0 0 382.489 3.066 50 0 GGAARN CCN(CCO)C(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1C1CC1 ZINC000019222881 1399328577 /nfs/dbraw/zinc/32/85/77/1399328577.db2.gz WXERECHMBBIBDA-UHFFFAOYSA-N 0 0 397.504 3.031 50 0 GGAARN O=C(c1ccc(NCc2cccnc2)nc1)N1CCC(CCn2cccn2)CC1 ZINC000019219624 1399328774 /nfs/dbraw/zinc/32/87/74/1399328774.db2.gz OGRACZJPLGDNNV-UHFFFAOYSA-N 0 0 390.491 3.228 50 0 GGAARN COc1cc(C(=O)N2CCc3c(cnc(C)c3-c3noc(C)n3)C2)ccc1C ZINC000019745605 1399337988 /nfs/dbraw/zinc/33/79/88/1399337988.db2.gz BFNHGWDWFXKOIC-UHFFFAOYSA-N 0 0 378.432 3.264 50 0 GGAARN S=C(SCc1cn2cccnc2n1)N1CCN(Cc2ccccc2)CC1 ZINC000019879565 1399339503 /nfs/dbraw/zinc/33/95/03/1399339503.db2.gz RWUGIMQAWDOEIX-UHFFFAOYSA-N 0 0 383.546 3.065 50 0 GGAARN COc1ccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020057704 1399341564 /nfs/dbraw/zinc/34/15/64/1399341564.db2.gz JBRKSLMGCSHLKK-JOCHJYFZSA-N 0 0 393.487 3.014 50 0 GGAARN COc1cccc(OC)c1C(=O)C[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000020111664 1399342578 /nfs/dbraw/zinc/34/25/78/1399342578.db2.gz BVPOUZYMAXTGAC-AWEZNQCLSA-N 0 0 399.443 3.243 50 0 biogenic GGAARN CCn1nc(C(=O)N2CCCC2)c2c1CCN(Cc1cc3ccccc3[nH]1)C2 ZINC000020206625 1399343753 /nfs/dbraw/zinc/34/37/53/1399343753.db2.gz MHHMZKJOENFYBV-UHFFFAOYSA-N 0 0 377.492 3.179 50 0 GGAARN CCn1ccnc1Cn1ccc(-c2cccc(-c3ccc(-n4cnnc4)nc3)c2)n1 ZINC000020201932 1399343784 /nfs/dbraw/zinc/34/37/84/1399343784.db2.gz KOSNSDDRRAGOEJ-UHFFFAOYSA-N 0 0 396.458 3.458 50 0 GGAARN c1sc(CN2CCc3nnc([C@H]4CCCO4)n3CC2)nc1-c1ccccc1 ZINC000020210669 1399344571 /nfs/dbraw/zinc/34/45/71/1399344571.db2.gz JMOPOCMBKLLVGE-QGZVFWFLSA-N 0 0 381.505 3.311 50 0 GGAARN O=S1(=O)CCN(CCc2cn(Cc3ccc(F)cc3)c3ccccc23)CC1 ZINC000020366798 1399345189 /nfs/dbraw/zinc/34/51/89/1399345189.db2.gz DDEPXLQZTPGPRT-UHFFFAOYSA-N 0 0 386.492 3.102 50 0 GGAARN COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1CC(=O)NCc1ccco1 ZINC000020387078 1399345682 /nfs/dbraw/zinc/34/56/82/1399345682.db2.gz FRVRXELKQYUMKV-WTIAFYNJSA-N 0 0 398.503 3.273 50 0 biogenic GGAARN O=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CCCN1CCOCC1 ZINC000020389990 1399345832 /nfs/dbraw/zinc/34/58/32/1399345832.db2.gz ATNJFVDMOXMPJG-UHFFFAOYSA-N 0 0 397.302 3.174 50 0 GGAARN O=C(OCC(F)(F)F)c1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1 ZINC000020404824 1399345975 /nfs/dbraw/zinc/34/59/75/1399345975.db2.gz LFVKJCRRZFZKLF-UHFFFAOYSA-N 0 0 383.345 3.266 50 0 GGAARN Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCN(C)CC2)cc1 ZINC000020381851 1399346017 /nfs/dbraw/zinc/34/60/17/1399346017.db2.gz HKLUQGJTZQDDMH-UHFFFAOYSA-N 0 0 381.501 3.128 50 0 GGAARN CCOC(=O)N1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]32)CC1 ZINC000020412667 1399346429 /nfs/dbraw/zinc/34/64/29/1399346429.db2.gz SDVQAYNSMBSTBB-VALFRTSSSA-N 0 0 390.524 3.219 50 0 biogenic GGAARN COc1ccc(-n2nnnc2[C@@H]2c3ccccc3CC(C)(C)N2C)cc1OC ZINC000020463180 1399347407 /nfs/dbraw/zinc/34/74/07/1399347407.db2.gz CKQJKLIAPSTVPO-IBGZPJMESA-N 0 0 379.464 3.035 50 0 GGAARN Cc1ocnc1C(=O)N1CCC[C@H]1c1ccc(C(=O)Nc2cnns2)s1 ZINC000020587236 1399349325 /nfs/dbraw/zinc/34/93/25/1399349325.db2.gz WZZFJBBPQZTBSA-JTQLQIEISA-N 0 0 389.462 3.126 50 0 GGAARN Cc1cc(-c2n[nH]c3c2CN(C(=O)c2ccc([C@@H]4CCCO4)s2)CC3)no1 ZINC000020601944 1399350332 /nfs/dbraw/zinc/35/03/32/1399350332.db2.gz YBJAEDKYVTWAFW-HNNXBMFYSA-N 0 0 384.461 3.485 50 0 GGAARN O=C(NCc1cccnc1)c1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000020645274 1399351374 /nfs/dbraw/zinc/35/13/74/1399351374.db2.gz HLTFHGFCHWRQSY-UHFFFAOYSA-N 0 0 388.452 3.373 50 0 GGAARN Cc1ccc(C(=O)N2CCC(c3nncn3C)CC2)cc1NC(=O)C1CCCC1 ZINC000020774662 1399352964 /nfs/dbraw/zinc/35/29/64/1399352964.db2.gz COHULFQAGXWKTB-UHFFFAOYSA-N 0 0 395.507 3.272 50 0 GGAARN Cc1oc2cc3oc(=O)c(CCC(=O)N4CCN(C)CC4)c(C)c3cc2c1C ZINC000020760145 1399352971 /nfs/dbraw/zinc/35/29/71/1399352971.db2.gz ISMJTZWSTCNDEV-UHFFFAOYSA-N 0 0 382.460 3.171 50 0 biogenic GGAARN CCCn1cc(C(=O)N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c(C)n1 ZINC000020776365 1399353079 /nfs/dbraw/zinc/35/30/79/1399353079.db2.gz MGSGBCQUNIYFMZ-HNNXBMFYSA-N 0 0 395.429 3.414 50 0 GGAARN CC(=O)c1ccc(N2C(=O)C[C@H](N3CCc4[nH]c5ccccc5c4C3)C2=O)cc1 ZINC000020760095 1399353171 /nfs/dbraw/zinc/35/31/71/1399353171.db2.gz IKUCQYCYKZKFDK-NRFANRHFSA-N 0 0 387.439 3.061 50 0 biogenic GGAARN CCCn1ncc(-c2ccnc(N3CCC[C@@H](Cn4ccnc4C)C3)n2)c1C ZINC000020856048 1399355046 /nfs/dbraw/zinc/35/50/46/1399355046.db2.gz YVAYQTYVUFBLRD-SFHVURJKSA-N 0 0 379.512 3.480 50 0 GGAARN CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(N(C)[C@@H]2CCOC2)nc1 ZINC000020907406 1399356813 /nfs/dbraw/zinc/35/68/13/1399356813.db2.gz PFKWIDJHXZLGDD-LJQANCHMSA-N 0 0 376.460 3.127 50 0 GGAARN Cc1nccn1[C@@H](C)C(=O)NCc1cccnc1N1CCc2ccccc2C1 ZINC000020913915 1399357026 /nfs/dbraw/zinc/35/70/26/1399357026.db2.gz FHMAIPUUTFKOTJ-INIZCTEOSA-N 0 0 375.476 3.027 50 0 GGAARN CCOC(=O)c1cn(CC(=O)Nc2cc(C)ccc2C)c2nc(C)ccc2c1=O ZINC000020986330 1399359522 /nfs/dbraw/zinc/35/95/22/1399359522.db2.gz BYIDBHZPVWOYKB-UHFFFAOYSA-N 0 0 393.443 3.137 50 0 GGAARN COC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1 ZINC000020994936 1399360471 /nfs/dbraw/zinc/36/04/71/1399360471.db2.gz IXVVMELXLLIBKV-MRXNPFEDSA-N 0 0 395.484 3.482 50 0 GGAARN CCOc1nn(CC)cc1C(=O)Nc1nnc(SCc2ccccn2)s1 ZINC000021011522 1399361186 /nfs/dbraw/zinc/36/11/86/1399361186.db2.gz XUSBXNIWRBPOGT-UHFFFAOYSA-N 0 0 390.494 3.093 50 0 GGAARN Cc1cccc(C2=NC3(CCN(C(=O)c4ccccc4Cl)CC3)NC2=O)c1 ZINC000021093424 1399364334 /nfs/dbraw/zinc/36/43/34/1399364334.db2.gz YPFPWPIYJSPKMN-UHFFFAOYSA-N 0 0 381.863 3.200 50 0 GGAARN Cn1cccc1[C@H](CNC(=O)COc1ccccc1)N1CCc2ccccc2C1 ZINC000021151460 1399366555 /nfs/dbraw/zinc/36/65/55/1399366555.db2.gz PUIXMSDNTJVBAQ-QHCPKHFHSA-N 0 0 389.499 3.320 50 0 GGAARN CSc1cccc(NC(=O)C(=O)NCC2(c3cccs3)CCOCC2)c1 ZINC000021690716 1399401185 /nfs/dbraw/zinc/40/11/85/1399401185.db2.gz XKYPIPIZYIOJSV-UHFFFAOYSA-N 0 0 390.530 3.273 50 0 GGAARN C[NH+](C)CCCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C(=O)[O-] ZINC000022016391 1399431585 /nfs/dbraw/zinc/43/15/85/1399431585.db2.gz GYAGCFKFNIPYDH-UHFFFAOYSA-N 0 0 393.443 3.346 50 0 GGAARN CCOC(=O)C(CCOCCOc1c(C)cc(Cl)cc1C)C(=O)OCC ZINC000022170669 1399441812 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